Program PWSCF v.5.1.1 starts on 23Jul2015 at 18:56:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LaTe3.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 68 68 20 1710 1710 266 Max 69 69 21 1713 1713 268 Sum 3273 3273 961 82125 82125 12785 bravais-lattice index = 14 lattice parameter (alat) = 25.0030 a.u. unit-cell volume = 1721.3852 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 25.003049 celldm(2)= 1.000000 celldm(3)= 0.334214 celldm(4)= 0.000000 celldm(5)= -0.000000 celldm(6)= -0.944151 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.944151 0.329515 0.000000 ) a(3) = ( -0.000000 -0.000000 0.334214 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 2.865278 0.000000 ) b(2) = ( 0.000000 3.034768 0.000000 ) b(3) = ( 0.000000 0.000000 2.992095 ) PseudoPot. # 1 for La read from file: /home/autes/Pseudo/La.rel-pbe-n-nc.UPF MD5 check sum: 6f08dcd1d72f485b2e849640f263b2b9 Pseudo is Norm-conserving + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1253 points, 6 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 l(5) = 3 l(6) = 3 PseudoPot. # 2 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 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 La 3.00 138.90550 La( 1.00) Te 6.00 127.60000 Te( 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 ) ( -0.1671070 ) 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 ) ( -0.1671070 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0069509 0.0410104 0.0000000), wk = 0.0029412 k( 3) = ( 0.0139017 0.0820208 0.0000000), wk = 0.0029412 k( 4) = ( 0.0208526 0.1230311 0.0000000), wk = 0.0029412 k( 5) = ( 0.0278034 0.1640415 0.0000000), wk = 0.0029412 k( 6) = ( 0.0347543 0.2050519 0.0000000), wk = 0.0029412 k( 7) = ( 0.0417052 0.2460623 0.0000000), wk = 0.0029412 k( 8) = ( 0.0486560 0.2870726 0.0000000), wk = 0.0029412 k( 9) = ( 0.0556069 0.3280830 0.0000000), wk = 0.0029412 k( 10) = ( 0.0625577 0.3690934 0.0000000), wk = 0.0029412 k( 11) = ( 0.0695086 0.4101038 0.0000000), wk = 0.0029412 k( 12) = ( 0.0764594 0.4511141 0.0000000), wk = 0.0029412 k( 13) = ( 0.0834103 0.4921245 0.0000000), wk = 0.0029412 k( 14) = ( 0.0903612 0.5331349 0.0000000), wk = 0.0029412 k( 15) = ( 0.0973120 0.5741453 0.0000000), wk = 0.0029412 k( 16) = ( 0.1042629 0.6151556 0.0000000), wk = 0.0029412 k( 17) = ( 0.1112137 0.6561660 0.0000000), wk = 0.0029412 k( 18) = ( 0.1181646 0.6971764 0.0000000), wk = 0.0029412 k( 19) = ( 0.1251154 0.7381868 0.0000000), wk = 0.0029412 k( 20) = ( 0.1320663 0.7791971 0.0000000), wk = 0.0029412 k( 21) = ( 0.1390172 0.8202075 0.0000000), wk = 0.0029412 k( 22) = ( 0.1459680 0.8612179 0.0000000), wk = 0.0029412 k( 23) = ( 0.1529189 0.9022282 0.0000000), wk = 0.0029412 k( 24) = ( 0.1598697 0.9432386 0.0000000), wk = 0.0029412 k( 25) = ( 0.1668206 0.9842490 0.0000000), wk = 0.0029412 k( 26) = ( 0.1737714 1.0252594 0.0000000), wk = 0.0029412 k( 27) = ( 0.1807223 1.0662697 0.0000000), wk = 0.0029412 k( 28) = ( 0.1876732 1.1072801 0.0000000), wk = 0.0029412 k( 29) = ( 0.1946240 1.1482905 0.0000000), wk = 0.0029412 k( 30) = ( 0.2015749 1.1893008 0.0000000), wk = 0.0029412 k( 31) = ( 0.2085257 1.2303112 0.0000000), wk = 0.0029412 k( 32) = ( 0.2154766 1.2713216 0.0000000), wk = 0.0029412 k( 33) = ( 0.2224274 1.3123320 0.0000000), wk = 0.0029412 k( 34) = ( 0.2293783 1.3533423 0.0000000), wk = 0.0029412 k( 35) = ( 0.2363292 1.3943527 0.0000000), wk = 0.0029412 k( 36) = ( 0.2432800 1.4353631 0.0000000), wk = 0.0029412 k( 37) = ( 0.2502309 1.4763735 0.0000000), wk = 0.0029412 k( 38) = ( 0.2571817 1.5173838 0.0000000), wk = 0.0029412 k( 39) = ( 0.2571817 1.5173838 0.0000000), wk = 0.0029412 k( 40) = ( 0.2204415 1.5173839 0.0000000), wk = 0.0029412 k( 41) = ( 0.1837012 1.5173839 0.0000000), wk = 0.0029412 k( 42) = ( 0.1469610 1.5173839 0.0000000), wk = 0.0029412 k( 43) = ( 0.1102207 1.5173839 0.0000000), wk = 0.0029412 k( 44) = ( 0.0734805 1.5173839 0.0000000), wk = 0.0029412 k( 45) = ( 0.0367403 1.5173839 0.0000000), wk = 0.0029412 k( 46) = ( 0.0000000 1.5173839 0.0000000), wk = 0.0029412 k( 47) = ( 0.0000000 1.5173839 0.0000000), wk = 0.0029412 k( 48) = ( 0.0000000 1.5173839 0.0415569), wk = 0.0029412 k( 49) = ( 0.0000000 1.5173839 0.0831138), wk = 0.0029412 k( 50) = ( 0.0000000 1.5173839 0.1246706), wk = 0.0029412 k( 51) = ( 0.0000000 1.5173839 0.1662275), wk = 0.0029412 k( 52) = ( 0.0000000 1.5173839 0.2077844), wk = 0.0029412 k( 53) = ( 0.0000000 1.5173839 0.2493413), wk = 0.0029412 k( 54) = ( 0.0000000 1.5173839 0.2908981), wk = 0.0029412 k( 55) = ( 0.0000000 1.5173839 0.3324550), wk = 0.0029412 k( 56) = ( 0.0000000 1.5173839 0.3740119), wk = 0.0029412 k( 57) = ( 0.0000000 1.5173839 0.4155688), wk = 0.0029412 k( 58) = ( 0.0000000 1.5173839 0.4571257), wk = 0.0029412 k( 59) = ( 0.0000000 1.5173839 0.4986825), wk = 0.0029412 k( 60) = ( 0.0000000 1.5173839 0.5402394), wk = 0.0029412 k( 61) = ( 0.0000000 1.5173839 0.5817963), wk = 0.0029412 k( 62) = ( 0.0000000 1.5173839 0.6233531), wk = 0.0029412 k( 63) = ( 0.0000000 1.5173839 0.6649100), wk = 0.0029412 k( 64) = ( 0.0000000 1.5173839 0.7064669), wk = 0.0029412 k( 65) = ( 0.0000000 1.5173839 0.7480238), wk = 0.0029412 k( 66) = ( 0.0000000 1.5173839 0.7895807), wk = 0.0029412 k( 67) = ( 0.0000000 1.5173839 0.8311376), wk = 0.0029412 k( 68) = ( 0.0000000 1.5173839 0.8726944), wk = 0.0029412 k( 69) = ( 0.0000000 1.5173839 0.9142513), wk = 0.0029412 k( 70) = ( 0.0000000 1.5173839 0.9558082), wk = 0.0029412 k( 71) = ( 0.0000000 1.5173839 0.9973650), wk = 0.0029412 k( 72) = ( 0.0000000 1.5173839 1.0389219), wk = 0.0029412 k( 73) = ( 0.0000000 1.5173839 1.0804788), wk = 0.0029412 k( 74) = ( 0.0000000 1.5173839 1.1220357), wk = 0.0029412 k( 75) = ( 0.0000000 1.5173839 1.1635926), wk = 0.0029412 k( 76) = ( 0.0000000 1.5173839 1.2051494), wk = 0.0029412 k( 77) = ( 0.0000000 1.5173839 1.2467063), wk = 0.0029412 k( 78) = ( 0.0000000 1.5173839 1.2882632), wk = 0.0029412 k( 79) = ( 0.0000000 1.5173839 1.3298201), wk = 0.0029412 k( 80) = ( 0.0000000 1.5173839 1.3713769), wk = 0.0029412 k( 81) = ( 0.0000000 1.5173839 1.4129338), wk = 0.0029412 k( 82) = ( 0.0000000 1.5173839 1.4544907), wk = 0.0029412 k( 83) = ( 0.0000000 1.5173839 1.4960476), wk = 0.0029412 k( 84) = ( 0.0000000 1.5173839 1.4960476), wk = 0.0029412 k( 85) = ( 0.0367403 1.5173839 1.4960476), wk = 0.0029412 k( 86) = ( 0.0734805 1.5173839 1.4960476), wk = 0.0029412 k( 87) = ( 0.1102207 1.5173839 1.4960476), wk = 0.0029412 k( 88) = ( 0.1469610 1.5173839 1.4960476), wk = 0.0029412 k( 89) = ( 0.1837012 1.5173839 1.4960476), wk = 0.0029412 k( 90) = ( 0.2204415 1.5173839 1.4960476), wk = 0.0029412 k( 91) = ( 0.2571817 1.5173838 1.4960476), wk = 0.0029412 k( 92) = ( 0.2571817 1.5173838 1.4960476), wk = 0.0029412 k( 93) = ( 0.2502309 1.4763735 1.4960476), wk = 0.0029412 k( 94) = ( 0.2432800 1.4353631 1.4960476), wk = 0.0029412 k( 95) = ( 0.2363292 1.3943527 1.4960476), wk = 0.0029412 k( 96) = ( 0.2293783 1.3533423 1.4960476), wk = 0.0029412 k( 97) = ( 0.2224274 1.3123320 1.4960476), wk = 0.0029412 k( 98) = ( 0.2154766 1.2713216 1.4960476), wk = 0.0029412 k( 99) = ( 0.2085257 1.2303112 1.4960476), wk = 0.0029412 k( 100) = ( 0.2015749 1.1893008 1.4960476), wk = 0.0029412 k( 101) = ( 0.1946240 1.1482905 1.4960476), wk = 0.0029412 k( 102) = ( 0.1876732 1.1072801 1.4960476), wk = 0.0029412 k( 103) = ( 0.1807223 1.0662697 1.4960476), wk = 0.0029412 k( 104) = ( 0.1737714 1.0252594 1.4960476), wk = 0.0029412 k( 105) = ( 0.1668206 0.9842490 1.4960476), wk = 0.0029412 k( 106) = ( 0.1598697 0.9432386 1.4960476), wk = 0.0029412 k( 107) = ( 0.1529189 0.9022282 1.4960476), wk = 0.0029412 k( 108) = ( 0.1459680 0.8612179 1.4960476), wk = 0.0029412 k( 109) = ( 0.1390172 0.8202075 1.4960476), wk = 0.0029412 k( 110) = ( 0.1320663 0.7791971 1.4960476), wk = 0.0029412 k( 111) = ( 0.1251154 0.7381868 1.4960476), wk = 0.0029412 k( 112) = ( 0.1181646 0.6971764 1.4960476), wk = 0.0029412 k( 113) = ( 0.1112137 0.6561660 1.4960476), wk = 0.0029412 k( 114) = ( 0.1042629 0.6151556 1.4960476), wk = 0.0029412 k( 115) = ( 0.0973120 0.5741453 1.4960476), wk = 0.0029412 k( 116) = ( 0.0903612 0.5331349 1.4960476), wk = 0.0029412 k( 117) = ( 0.0834103 0.4921245 1.4960476), wk = 0.0029412 k( 118) = ( 0.0764594 0.4511141 1.4960476), wk = 0.0029412 k( 119) = ( 0.0695086 0.4101038 1.4960476), wk = 0.0029412 k( 120) = ( 0.0625577 0.3690934 1.4960476), wk = 0.0029412 k( 121) = ( 0.0556069 0.3280830 1.4960476), wk = 0.0029412 k( 122) = ( 0.0486560 0.2870726 1.4960476), wk = 0.0029412 k( 123) = ( 0.0417052 0.2460623 1.4960476), wk = 0.0029412 k( 124) = ( 0.0347543 0.2050519 1.4960476), wk = 0.0029412 k( 125) = ( 0.0278034 0.1640415 1.4960476), wk = 0.0029412 k( 126) = ( 0.0208526 0.1230311 1.4960476), wk = 0.0029412 k( 127) = ( 0.0139017 0.0820208 1.4960476), wk = 0.0029412 k( 128) = ( 0.0069509 0.0410104 1.4960476), wk = 0.0029412 k( 129) = ( 0.0000000 0.0000000 1.4960476), wk = 0.0029412 k( 130) = ( 0.0000000 0.0000000 1.4960476), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 1.4544907), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 1.4129338), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 1.3713769), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 1.3298201), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 1.2882632), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 1.2467063), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 1.2051494), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 1.1635926), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 1.1220357), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 1.0804788), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 1.0389219), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.9973650), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.9558082), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.9142513), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.8726944), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.8311376), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.7895807), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.7480238), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.7064669), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.6649100), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.6233531), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.5817963), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.5402394), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.4986825), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.4571257), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.4155688), wk = 0.0029412 k( 157) = ( 0.0000000 0.0000000 0.3740119), wk = 0.0029412 k( 158) = ( 0.0000000 0.0000000 0.3324550), wk = 0.0029412 k( 159) = ( 0.0000000 0.0000000 0.2908981), wk = 0.0029412 k( 160) = ( 0.0000000 0.0000000 0.2493413), wk = 0.0029412 k( 161) = ( 0.0000000 0.0000000 0.2077844), wk = 0.0029412 k( 162) = ( 0.0000000 0.0000000 0.1662275), wk = 0.0029412 k( 163) = ( 0.0000000 0.0000000 0.1246706), wk = 0.0029412 k( 164) = ( 0.0000000 0.0000000 0.0831138), wk = 0.0029412 k( 165) = ( 0.0000000 0.0000000 0.0415569), wk = 0.0029412 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 168) = ( -0.0384615 0.0065189 -0.0000000), wk = 0.0029412 k( 169) = ( -0.0769231 0.0130377 -0.0000000), wk = 0.0029412 k( 170) = ( -0.1153846 0.0195566 -0.0000000), wk = 0.0029412 k( 171) = ( -0.1538461 0.0260754 -0.0000000), wk = 0.0029412 k( 172) = ( -0.1923077 0.0325943 -0.0000000), wk = 0.0029412 k( 173) = ( -0.2307692 0.0391131 -0.0000000), wk = 0.0029412 k( 174) = ( -0.2692308 0.0456320 -0.0000000), wk = 0.0029412 k( 175) = ( -0.3076923 0.0521508 -0.0000000), wk = 0.0029412 k( 176) = ( -0.3461538 0.0586697 -0.0000000), wk = 0.0029412 k( 177) = ( -0.3846154 0.0651885 -0.0000000), wk = 0.0029412 k( 178) = ( -0.4230769 0.0717074 -0.0000000), wk = 0.0029412 k( 179) = ( -0.4615385 0.0782263 -0.0000000), wk = 0.0029412 k( 180) = ( -0.5000000 0.0847451 -0.0000000), wk = 0.0029412 k( 181) = ( -0.5000000 0.0847451 -0.0000000), wk = 0.0029412 k( 182) = ( -0.4930623 0.1256776 -0.0000000), wk = 0.0029412 k( 183) = ( -0.4861247 0.1666102 -0.0000000), wk = 0.0029412 k( 184) = ( -0.4791870 0.2075427 -0.0000000), wk = 0.0029412 k( 185) = ( -0.4722493 0.2484753 0.0000000), wk = 0.0029412 k( 186) = ( -0.4653117 0.2894078 0.0000000), wk = 0.0029412 k( 187) = ( -0.4583740 0.3303403 0.0000000), wk = 0.0029412 k( 188) = ( -0.4514363 0.3712728 0.0000000), wk = 0.0029412 k( 189) = ( -0.4444987 0.4122054 0.0000000), wk = 0.0029412 k( 190) = ( -0.4375610 0.4531379 0.0000000), wk = 0.0029412 k( 191) = ( -0.4306234 0.4940705 0.0000000), wk = 0.0029412 k( 192) = ( -0.4236857 0.5350030 0.0000000), wk = 0.0029412 k( 193) = ( -0.4167480 0.5759356 0.0000000), wk = 0.0029412 k( 194) = ( -0.4098104 0.6168681 0.0000000), wk = 0.0029412 k( 195) = ( -0.4028727 0.6578006 0.0000000), wk = 0.0029412 k( 196) = ( -0.3959350 0.6987331 0.0000000), wk = 0.0029412 k( 197) = ( -0.3889974 0.7396657 0.0000000), wk = 0.0029412 k( 198) = ( -0.3820597 0.7805982 0.0000000), wk = 0.0029412 k( 199) = ( -0.3751220 0.8215308 0.0000000), wk = 0.0029412 k( 200) = ( -0.3681844 0.8624633 0.0000000), wk = 0.0029412 k( 201) = ( -0.3612467 0.9033958 0.0000000), wk = 0.0029412 k( 202) = ( -0.3543090 0.9443284 0.0000000), wk = 0.0029412 k( 203) = ( -0.3473714 0.9852609 0.0000000), wk = 0.0029412 k( 204) = ( -0.3404337 1.0261934 0.0000000), wk = 0.0029412 k( 205) = ( -0.3334960 1.0671259 0.0000000), wk = 0.0029412 k( 206) = ( -0.3265584 1.1080585 0.0000000), wk = 0.0029412 k( 207) = ( -0.3196207 1.1489910 0.0000000), wk = 0.0029412 k( 208) = ( -0.3126831 1.1899236 0.0000000), wk = 0.0029412 k( 209) = ( -0.3057454 1.2308561 0.0000000), wk = 0.0029412 k( 210) = ( -0.2988077 1.2717887 0.0000000), wk = 0.0029412 k( 211) = ( -0.2918701 1.3127212 0.0000000), wk = 0.0029412 k( 212) = ( -0.2849324 1.3536537 0.0000000), wk = 0.0029412 k( 213) = ( -0.2779947 1.3945862 0.0000000), wk = 0.0029412 k( 214) = ( -0.2710571 1.4355188 0.0000000), wk = 0.0029412 k( 215) = ( -0.2641194 1.4764513 0.0000000), wk = 0.0029412 k( 216) = ( -0.2571817 1.5173839 0.0000000), wk = 0.0029412 k( 217) = ( -0.2571817 1.5173839 0.0000000), wk = 0.0029412 k( 218) = ( -0.2571817 1.5173839 0.0415569), wk = 0.0029412 k( 219) = ( -0.2571817 1.5173839 0.0831138), wk = 0.0029412 k( 220) = ( -0.2571817 1.5173839 0.1246706), wk = 0.0029412 k( 221) = ( -0.2571817 1.5173839 0.1662275), wk = 0.0029412 k( 222) = ( -0.2571817 1.5173839 0.2077844), wk = 0.0029412 k( 223) = ( -0.2571817 1.5173839 0.2493413), wk = 0.0029412 k( 224) = ( -0.2571817 1.5173839 0.2908981), wk = 0.0029412 k( 225) = ( -0.2571817 1.5173839 0.3324550), wk = 0.0029412 k( 226) = ( -0.2571817 1.5173839 0.3740119), wk = 0.0029412 k( 227) = ( -0.2571817 1.5173839 0.4155688), wk = 0.0029412 k( 228) = ( -0.2571817 1.5173839 0.4571257), wk = 0.0029412 k( 229) = ( -0.2571817 1.5173839 0.4986825), wk = 0.0029412 k( 230) = ( -0.2571817 1.5173839 0.5402394), wk = 0.0029412 k( 231) = ( -0.2571817 1.5173839 0.5817963), wk = 0.0029412 k( 232) = ( -0.2571817 1.5173839 0.6233531), wk = 0.0029412 k( 233) = ( -0.2571817 1.5173839 0.6649100), wk = 0.0029412 k( 234) = ( -0.2571817 1.5173839 0.7064669), wk = 0.0029412 k( 235) = ( -0.2571817 1.5173839 0.7480238), wk = 0.0029412 k( 236) = ( -0.2571817 1.5173839 0.7895807), wk = 0.0029412 k( 237) = ( -0.2571817 1.5173839 0.8311376), wk = 0.0029412 k( 238) = ( -0.2571817 1.5173839 0.8726944), wk = 0.0029412 k( 239) = ( -0.2571817 1.5173839 0.9142513), wk = 0.0029412 k( 240) = ( -0.2571817 1.5173839 0.9558082), wk = 0.0029412 k( 241) = ( -0.2571817 1.5173839 0.9973650), wk = 0.0029412 k( 242) = ( -0.2571817 1.5173839 1.0389219), wk = 0.0029412 k( 243) = ( -0.2571817 1.5173839 1.0804788), wk = 0.0029412 k( 244) = ( -0.2571817 1.5173839 1.1220357), wk = 0.0029412 k( 245) = ( -0.2571817 1.5173839 1.1635926), wk = 0.0029412 k( 246) = ( -0.2571817 1.5173839 1.2051494), wk = 0.0029412 k( 247) = ( -0.2571817 1.5173839 1.2467063), wk = 0.0029412 k( 248) = ( -0.2571817 1.5173839 1.2882632), wk = 0.0029412 k( 249) = ( -0.2571817 1.5173839 1.3298201), wk = 0.0029412 k( 250) = ( -0.2571817 1.5173839 1.3713769), wk = 0.0029412 k( 251) = ( -0.2571817 1.5173839 1.4129338), wk = 0.0029412 k( 252) = ( -0.2571817 1.5173839 1.4544907), wk = 0.0029412 k( 253) = ( -0.2571817 1.5173839 1.4960476), wk = 0.0029412 k( 254) = ( -0.2571817 1.5173839 1.4960476), wk = 0.0029412 k( 255) = ( -0.2641194 1.4764513 1.4960476), wk = 0.0029412 k( 256) = ( -0.2710571 1.4355188 1.4960476), wk = 0.0029412 k( 257) = ( -0.2779947 1.3945862 1.4960476), wk = 0.0029412 k( 258) = ( -0.2849324 1.3536537 1.4960476), wk = 0.0029412 k( 259) = ( -0.2918701 1.3127212 1.4960476), wk = 0.0029412 k( 260) = ( -0.2988077 1.2717887 1.4960476), wk = 0.0029412 k( 261) = ( -0.3057454 1.2308561 1.4960476), wk = 0.0029412 k( 262) = ( -0.3126831 1.1899236 1.4960476), wk = 0.0029412 k( 263) = ( -0.3196207 1.1489910 1.4960476), wk = 0.0029412 k( 264) = ( -0.3265584 1.1080585 1.4960476), wk = 0.0029412 k( 265) = ( -0.3334960 1.0671259 1.4960476), wk = 0.0029412 k( 266) = ( -0.3404337 1.0261934 1.4960476), wk = 0.0029412 k( 267) = ( -0.3473714 0.9852609 1.4960476), wk = 0.0029412 k( 268) = ( -0.3543090 0.9443284 1.4960476), wk = 0.0029412 k( 269) = ( -0.3612467 0.9033958 1.4960476), wk = 0.0029412 k( 270) = ( -0.3681844 0.8624633 1.4960476), wk = 0.0029412 k( 271) = ( -0.3751220 0.8215308 1.4960476), wk = 0.0029412 k( 272) = ( -0.3820597 0.7805982 1.4960476), wk = 0.0029412 k( 273) = ( -0.3889974 0.7396657 1.4960476), wk = 0.0029412 k( 274) = ( -0.3959350 0.6987331 1.4960476), wk = 0.0029412 k( 275) = ( -0.4028727 0.6578006 1.4960476), wk = 0.0029412 k( 276) = ( -0.4098104 0.6168681 1.4960476), wk = 0.0029412 k( 277) = ( -0.4167480 0.5759356 1.4960476), wk = 0.0029412 k( 278) = ( -0.4236857 0.5350030 1.4960476), wk = 0.0029412 k( 279) = ( -0.4306234 0.4940705 1.4960476), wk = 0.0029412 k( 280) = ( -0.4375610 0.4531379 1.4960476), wk = 0.0029412 k( 281) = ( -0.4444987 0.4122054 1.4960476), wk = 0.0029412 k( 282) = ( -0.4514363 0.3712728 1.4960476), wk = 0.0029412 k( 283) = ( -0.4583740 0.3303403 1.4960476), wk = 0.0029412 k( 284) = ( -0.4653117 0.2894078 1.4960476), wk = 0.0029412 k( 285) = ( -0.4722493 0.2484753 1.4960476), wk = 0.0029412 k( 286) = ( -0.4791870 0.2075427 1.4960476), wk = 0.0029412 k( 287) = ( -0.4861247 0.1666102 1.4960476), wk = 0.0029412 k( 288) = ( -0.4930623 0.1256776 1.4960476), wk = 0.0029412 k( 289) = ( -0.5000000 0.0847451 1.4960476), wk = 0.0029412 k( 290) = ( -0.5000000 0.0847451 1.4960476), wk = 0.0029412 k( 291) = ( -0.5000000 0.0847451 1.4544907), wk = 0.0029412 k( 292) = ( -0.5000000 0.0847451 1.4129338), wk = 0.0029412 k( 293) = ( -0.5000000 0.0847451 1.3713769), wk = 0.0029412 k( 294) = ( -0.5000000 0.0847451 1.3298201), wk = 0.0029412 k( 295) = ( -0.5000000 0.0847451 1.2882632), wk = 0.0029412 k( 296) = ( -0.5000000 0.0847451 1.2467063), wk = 0.0029412 k( 297) = ( -0.5000000 0.0847451 1.2051494), wk = 0.0029412 k( 298) = ( -0.5000000 0.0847451 1.1635926), wk = 0.0029412 k( 299) = ( -0.5000000 0.0847451 1.1220357), wk = 0.0029412 k( 300) = ( -0.5000000 0.0847451 1.0804788), wk = 0.0029412 k( 301) = ( -0.5000000 0.0847451 1.0389219), wk = 0.0029412 k( 302) = ( -0.5000000 0.0847451 0.9973650), wk = 0.0029412 k( 303) = ( -0.5000000 0.0847451 0.9558082), wk = 0.0029412 k( 304) = ( -0.5000000 0.0847451 0.9142513), wk = 0.0029412 k( 305) = ( -0.5000000 0.0847451 0.8726944), wk = 0.0029412 k( 306) = ( -0.5000000 0.0847451 0.8311376), wk = 0.0029412 k( 307) = ( -0.5000000 0.0847451 0.7895807), wk = 0.0029412 k( 308) = ( -0.5000000 0.0847451 0.7480238), wk = 0.0029412 k( 309) = ( -0.5000000 0.0847451 0.7064669), wk = 0.0029412 k( 310) = ( -0.5000000 0.0847451 0.6649100), wk = 0.0029412 k( 311) = ( -0.5000000 0.0847451 0.6233531), wk = 0.0029412 k( 312) = ( -0.5000000 0.0847451 0.5817963), wk = 0.0029412 k( 313) = ( -0.5000000 0.0847451 0.5402394), wk = 0.0029412 k( 314) = ( -0.5000000 0.0847451 0.4986825), wk = 0.0029412 k( 315) = ( -0.5000000 0.0847451 0.4571257), wk = 0.0029412 k( 316) = ( -0.5000000 0.0847451 0.4155688), wk = 0.0029412 k( 317) = ( -0.5000000 0.0847451 0.3740119), wk = 0.0029412 k( 318) = ( -0.5000000 0.0847451 0.3324550), wk = 0.0029412 k( 319) = ( -0.5000000 0.0847451 0.2908981), wk = 0.0029412 k( 320) = ( -0.5000000 0.0847451 0.2493413), wk = 0.0029412 k( 321) = ( -0.5000000 0.0847451 0.2077844), wk = 0.0029412 k( 322) = ( -0.5000000 0.0847451 0.1662275), wk = 0.0029412 k( 323) = ( -0.5000000 0.0847451 0.1246706), wk = 0.0029412 k( 324) = ( -0.5000000 0.0847451 0.0831138), wk = 0.0029412 k( 325) = ( -0.5000000 0.0847451 0.0415569), wk = 0.0029412 k( 326) = ( -0.5000000 0.0847451 -0.0000000), wk = 0.0029412 k( 327) = ( 0.0000000 0.0000000 1.4960476), wk = 0.0029412 k( 328) = ( -0.0384615 0.0065189 1.4960476), wk = 0.0029412 k( 329) = ( -0.0769231 0.0130377 1.4960476), wk = 0.0029412 k( 330) = ( -0.1153846 0.0195566 1.4960476), wk = 0.0029412 k( 331) = ( -0.1538461 0.0260754 1.4960476), wk = 0.0029412 k( 332) = ( -0.1923077 0.0325943 1.4960476), wk = 0.0029412 k( 333) = ( -0.2307692 0.0391131 1.4960476), wk = 0.0029412 k( 334) = ( -0.2692308 0.0456320 1.4960476), wk = 0.0029412 k( 335) = ( -0.3076923 0.0521508 1.4960476), wk = 0.0029412 k( 336) = ( -0.3461538 0.0586697 1.4960476), wk = 0.0029412 k( 337) = ( -0.3846154 0.0651885 1.4960476), wk = 0.0029412 k( 338) = ( -0.4230769 0.0717074 1.4960476), wk = 0.0029412 k( 339) = ( -0.4615385 0.0782263 1.4960476), wk = 0.0029412 k( 340) = ( -0.5000000 0.0847451 1.4960476), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0069509 0.0069509 0.0000000), wk = 0.0029412 k( 3) = ( 0.0139017 0.0139017 0.0000000), wk = 0.0029412 k( 4) = ( 0.0208526 0.0208526 0.0000000), wk = 0.0029412 k( 5) = ( 0.0278034 0.0278034 0.0000000), wk = 0.0029412 k( 6) = ( 0.0347543 0.0347543 0.0000000), wk = 0.0029412 k( 7) = ( 0.0417052 0.0417052 0.0000000), wk = 0.0029412 k( 8) = ( 0.0486560 0.0486560 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0556069 0.0556069 0.0000000), wk = 0.0029412 k( 10) = ( 0.0625577 0.0625577 0.0000000), wk = 0.0029412 k( 11) = ( 0.0695086 0.0695086 0.0000000), wk = 0.0029412 k( 12) = ( 0.0764594 0.0764594 0.0000000), wk = 0.0029412 k( 13) = ( 0.0834103 0.0834103 0.0000000), wk = 0.0029412 k( 14) = ( 0.0903612 0.0903611 0.0000000), wk = 0.0029412 k( 15) = ( 0.0973120 0.0973120 0.0000000), wk = 0.0029412 k( 16) = ( 0.1042629 0.1042629 0.0000000), wk = 0.0029412 k( 17) = ( 0.1112137 0.1112137 0.0000000), wk = 0.0029412 k( 18) = ( 0.1181646 0.1181646 0.0000000), wk = 0.0029412 k( 19) = ( 0.1251154 0.1251154 0.0000000), wk = 0.0029412 k( 20) = ( 0.1320663 0.1320663 0.0000000), wk = 0.0029412 k( 21) = ( 0.1390172 0.1390172 0.0000000), wk = 0.0029412 k( 22) = ( 0.1459680 0.1459680 0.0000000), wk = 0.0029412 k( 23) = ( 0.1529189 0.1529189 0.0000000), wk = 0.0029412 k( 24) = ( 0.1598697 0.1598697 0.0000000), wk = 0.0029412 k( 25) = ( 0.1668206 0.1668206 0.0000000), wk = 0.0029412 k( 26) = ( 0.1737714 0.1737714 0.0000000), wk = 0.0029412 k( 27) = ( 0.1807223 0.1807223 0.0000000), wk = 0.0029412 k( 28) = ( 0.1876732 0.1876732 0.0000000), wk = 0.0029412 k( 29) = ( 0.1946240 0.1946240 0.0000000), wk = 0.0029412 k( 30) = ( 0.2015749 0.2015749 0.0000000), wk = 0.0029412 k( 31) = ( 0.2085257 0.2085257 0.0000000), wk = 0.0029412 k( 32) = ( 0.2154766 0.2154766 0.0000000), wk = 0.0029412 k( 33) = ( 0.2224274 0.2224275 0.0000000), wk = 0.0029412 k( 34) = ( 0.2293783 0.2293783 0.0000000), wk = 0.0029412 k( 35) = ( 0.2363292 0.2363292 0.0000000), wk = 0.0029412 k( 36) = ( 0.2432800 0.2432800 0.0000000), wk = 0.0029412 k( 37) = ( 0.2502309 0.2502309 0.0000000), wk = 0.0029412 k( 38) = ( 0.2571817 0.2571817 0.0000000), wk = 0.0029412 k( 39) = ( 0.2571817 0.2571817 0.0000000), wk = 0.0029412 k( 40) = ( 0.2204415 0.2918701 0.0000000), wk = 0.0029412 k( 41) = ( 0.1837012 0.3265584 0.0000000), wk = 0.0029412 k( 42) = ( 0.1469610 0.3612467 0.0000000), wk = 0.0029412 k( 43) = ( 0.1102207 0.3959350 0.0000000), wk = 0.0029412 k( 44) = ( 0.0734805 0.4306233 0.0000000), wk = 0.0029412 k( 45) = ( 0.0367403 0.4653117 -0.0000000), wk = 0.0029412 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029412 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029412 k( 48) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0029412 k( 49) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0029412 k( 50) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0029412 k( 51) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0029412 k( 52) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0029412 k( 53) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0029412 k( 54) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0029412 k( 55) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0029412 k( 56) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0029412 k( 57) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0029412 k( 58) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0029412 k( 59) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0029412 k( 60) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0029412 k( 61) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0029412 k( 62) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0029412 k( 63) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0029412 k( 64) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0029412 k( 65) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029412 k( 66) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0029412 k( 67) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0029412 k( 68) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0029412 k( 69) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0029412 k( 70) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0029412 k( 71) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0029412 k( 72) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0029412 k( 73) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0029412 k( 74) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0029412 k( 75) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0029412 k( 76) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0029412 k( 77) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0029412 k( 78) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0029412 k( 79) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0029412 k( 80) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0029412 k( 81) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0029412 k( 82) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0029412 k( 83) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 84) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 85) = ( 0.0367403 0.4653117 0.5000000), wk = 0.0029412 k( 86) = ( 0.0734805 0.4306233 0.5000000), wk = 0.0029412 k( 87) = ( 0.1102207 0.3959350 0.5000000), wk = 0.0029412 k( 88) = ( 0.1469610 0.3612467 0.5000000), wk = 0.0029412 k( 89) = ( 0.1837012 0.3265584 0.5000000), wk = 0.0029412 k( 90) = ( 0.2204415 0.2918701 0.5000000), wk = 0.0029412 k( 91) = ( 0.2571817 0.2571817 0.5000000), wk = 0.0029412 k( 92) = ( 0.2571817 0.2571817 0.5000000), wk = 0.0029412 k( 93) = ( 0.2502309 0.2502309 0.5000000), wk = 0.0029412 k( 94) = ( 0.2432800 0.2432800 0.5000000), wk = 0.0029412 k( 95) = ( 0.2363292 0.2363292 0.5000000), wk = 0.0029412 k( 96) = ( 0.2293783 0.2293783 0.5000000), wk = 0.0029412 k( 97) = ( 0.2224274 0.2224275 0.5000000), wk = 0.0029412 k( 98) = ( 0.2154766 0.2154766 0.5000000), wk = 0.0029412 k( 99) = ( 0.2085257 0.2085257 0.5000000), wk = 0.0029412 k( 100) = ( 0.2015749 0.2015749 0.5000000), wk = 0.0029412 k( 101) = ( 0.1946240 0.1946240 0.5000000), wk = 0.0029412 k( 102) = ( 0.1876732 0.1876732 0.5000000), wk = 0.0029412 k( 103) = ( 0.1807223 0.1807223 0.5000000), wk = 0.0029412 k( 104) = ( 0.1737714 0.1737714 0.5000000), wk = 0.0029412 k( 105) = ( 0.1668206 0.1668206 0.5000000), wk = 0.0029412 k( 106) = ( 0.1598697 0.1598697 0.5000000), wk = 0.0029412 k( 107) = ( 0.1529189 0.1529189 0.5000000), wk = 0.0029412 k( 108) = ( 0.1459680 0.1459680 0.5000000), wk = 0.0029412 k( 109) = ( 0.1390172 0.1390172 0.5000000), wk = 0.0029412 k( 110) = ( 0.1320663 0.1320663 0.5000000), wk = 0.0029412 k( 111) = ( 0.1251154 0.1251154 0.5000000), wk = 0.0029412 k( 112) = ( 0.1181646 0.1181646 0.5000000), wk = 0.0029412 k( 113) = ( 0.1112137 0.1112137 0.5000000), wk = 0.0029412 k( 114) = ( 0.1042629 0.1042629 0.5000000), wk = 0.0029412 k( 115) = ( 0.0973120 0.0973120 0.5000000), wk = 0.0029412 k( 116) = ( 0.0903612 0.0903611 0.5000000), wk = 0.0029412 k( 117) = ( 0.0834103 0.0834103 0.5000000), wk = 0.0029412 k( 118) = ( 0.0764594 0.0764594 0.5000000), wk = 0.0029412 k( 119) = ( 0.0695086 0.0695086 0.5000000), wk = 0.0029412 k( 120) = ( 0.0625577 0.0625577 0.5000000), wk = 0.0029412 k( 121) = ( 0.0556069 0.0556069 0.5000000), wk = 0.0029412 k( 122) = ( 0.0486560 0.0486560 0.5000000), wk = 0.0029412 k( 123) = ( 0.0417052 0.0417052 0.5000000), wk = 0.0029412 k( 124) = ( 0.0347543 0.0347543 0.5000000), wk = 0.0029412 k( 125) = ( 0.0278034 0.0278034 0.5000000), wk = 0.0029412 k( 126) = ( 0.0208526 0.0208526 0.5000000), wk = 0.0029412 k( 127) = ( 0.0139017 0.0139017 0.5000000), wk = 0.0029412 k( 128) = ( 0.0069509 0.0069509 0.5000000), wk = 0.0029412 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0029412 k( 157) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029412 k( 158) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0029412 k( 159) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0029412 k( 160) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029412 k( 161) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0029412 k( 162) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0029412 k( 163) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0029412 k( 164) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0029412 k( 165) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0029412 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 168) = ( -0.0384615 0.0384615 0.0000000), wk = 0.0029412 k( 169) = ( -0.0769231 0.0769231 0.0000000), wk = 0.0029412 k( 170) = ( -0.1153846 0.1153846 -0.0000000), wk = 0.0029412 k( 171) = ( -0.1538461 0.1538461 -0.0000000), wk = 0.0029412 k( 172) = ( -0.1923077 0.1923077 -0.0000000), wk = 0.0029412 k( 173) = ( -0.2307692 0.2307692 -0.0000000), wk = 0.0029412 k( 174) = ( -0.2692308 0.2692308 -0.0000000), wk = 0.0029412 k( 175) = ( -0.3076923 0.3076923 0.0000000), wk = 0.0029412 k( 176) = ( -0.3461538 0.3461538 -0.0000000), wk = 0.0029412 k( 177) = ( -0.3846154 0.3846154 -0.0000000), wk = 0.0029412 k( 178) = ( -0.4230769 0.4230769 0.0000000), wk = 0.0029412 k( 179) = ( -0.4615385 0.4615385 -0.0000000), wk = 0.0029412 k( 180) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 181) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 182) = ( -0.4930623 0.5069377 0.0000000), wk = 0.0029412 k( 183) = ( -0.4861247 0.5138753 0.0000000), wk = 0.0029412 k( 184) = ( -0.4791870 0.5208130 -0.0000000), wk = 0.0029412 k( 185) = ( -0.4722493 0.5277507 0.0000000), wk = 0.0029412 k( 186) = ( -0.4653117 0.5346883 -0.0000000), wk = 0.0029412 k( 187) = ( -0.4583740 0.5416260 -0.0000000), wk = 0.0029412 k( 188) = ( -0.4514363 0.5485636 -0.0000000), wk = 0.0029412 k( 189) = ( -0.4444987 0.5555013 -0.0000000), wk = 0.0029412 k( 190) = ( -0.4375610 0.5624390 -0.0000000), wk = 0.0029412 k( 191) = ( -0.4306234 0.5693767 -0.0000000), wk = 0.0029412 k( 192) = ( -0.4236857 0.5763143 -0.0000000), wk = 0.0029412 k( 193) = ( -0.4167480 0.5832520 -0.0000000), wk = 0.0029412 k( 194) = ( -0.4098104 0.5901896 -0.0000000), wk = 0.0029412 k( 195) = ( -0.4028727 0.5971273 -0.0000000), wk = 0.0029412 k( 196) = ( -0.3959350 0.6040650 -0.0000000), wk = 0.0029412 k( 197) = ( -0.3889974 0.6110026 0.0000000), wk = 0.0029412 k( 198) = ( -0.3820597 0.6179403 -0.0000000), wk = 0.0029412 k( 199) = ( -0.3751220 0.6248780 -0.0000000), wk = 0.0029412 k( 200) = ( -0.3681844 0.6318156 -0.0000000), wk = 0.0029412 k( 201) = ( -0.3612467 0.6387533 0.0000000), wk = 0.0029412 k( 202) = ( -0.3543090 0.6456910 0.0000000), wk = 0.0029412 k( 203) = ( -0.3473714 0.6526286 -0.0000000), wk = 0.0029412 k( 204) = ( -0.3404337 0.6595663 -0.0000000), wk = 0.0029412 k( 205) = ( -0.3334960 0.6665039 0.0000000), wk = 0.0029412 k( 206) = ( -0.3265584 0.6734416 -0.0000000), wk = 0.0029412 k( 207) = ( -0.3196207 0.6803793 0.0000000), wk = 0.0029412 k( 208) = ( -0.3126831 0.6873170 -0.0000000), wk = 0.0029412 k( 209) = ( -0.3057454 0.6942546 0.0000000), wk = 0.0029412 k( 210) = ( -0.2988077 0.7011923 0.0000000), wk = 0.0029412 k( 211) = ( -0.2918701 0.7081299 -0.0000000), wk = 0.0029412 k( 212) = ( -0.2849324 0.7150676 -0.0000000), wk = 0.0029412 k( 213) = ( -0.2779947 0.7220053 0.0000000), wk = 0.0029412 k( 214) = ( -0.2710571 0.7289429 0.0000000), wk = 0.0029412 k( 215) = ( -0.2641194 0.7358806 -0.0000000), wk = 0.0029412 k( 216) = ( -0.2571817 0.7428183 0.0000000), wk = 0.0029412 k( 217) = ( -0.2571817 0.7428183 0.0000000), wk = 0.0029412 k( 218) = ( -0.2571817 0.7428183 0.0138889), wk = 0.0029412 k( 219) = ( -0.2571817 0.7428183 0.0277778), wk = 0.0029412 k( 220) = ( -0.2571817 0.7428183 0.0416667), wk = 0.0029412 k( 221) = ( -0.2571817 0.7428183 0.0555556), wk = 0.0029412 k( 222) = ( -0.2571817 0.7428183 0.0694444), wk = 0.0029412 k( 223) = ( -0.2571817 0.7428183 0.0833333), wk = 0.0029412 k( 224) = ( -0.2571817 0.7428183 0.0972222), wk = 0.0029412 k( 225) = ( -0.2571817 0.7428183 0.1111111), wk = 0.0029412 k( 226) = ( -0.2571817 0.7428183 0.1250000), wk = 0.0029412 k( 227) = ( -0.2571817 0.7428183 0.1388889), wk = 0.0029412 k( 228) = ( -0.2571817 0.7428183 0.1527778), wk = 0.0029412 k( 229) = ( -0.2571817 0.7428183 0.1666667), wk = 0.0029412 k( 230) = ( -0.2571817 0.7428183 0.1805556), wk = 0.0029412 k( 231) = ( -0.2571817 0.7428183 0.1944444), wk = 0.0029412 k( 232) = ( -0.2571817 0.7428183 0.2083333), wk = 0.0029412 k( 233) = ( -0.2571817 0.7428183 0.2222222), wk = 0.0029412 k( 234) = ( -0.2571817 0.7428183 0.2361111), wk = 0.0029412 k( 235) = ( -0.2571817 0.7428183 0.2500000), wk = 0.0029412 k( 236) = ( -0.2571817 0.7428183 0.2638889), wk = 0.0029412 k( 237) = ( -0.2571817 0.7428183 0.2777778), wk = 0.0029412 k( 238) = ( -0.2571817 0.7428183 0.2916667), wk = 0.0029412 k( 239) = ( -0.2571817 0.7428183 0.3055556), wk = 0.0029412 k( 240) = ( -0.2571817 0.7428183 0.3194444), wk = 0.0029412 k( 241) = ( -0.2571817 0.7428183 0.3333333), wk = 0.0029412 k( 242) = ( -0.2571817 0.7428183 0.3472222), wk = 0.0029412 k( 243) = ( -0.2571817 0.7428183 0.3611111), wk = 0.0029412 k( 244) = ( -0.2571817 0.7428183 0.3750000), wk = 0.0029412 k( 245) = ( -0.2571817 0.7428183 0.3888889), wk = 0.0029412 k( 246) = ( -0.2571817 0.7428183 0.4027778), wk = 0.0029412 k( 247) = ( -0.2571817 0.7428183 0.4166667), wk = 0.0029412 k( 248) = ( -0.2571817 0.7428183 0.4305556), wk = 0.0029412 k( 249) = ( -0.2571817 0.7428183 0.4444444), wk = 0.0029412 k( 250) = ( -0.2571817 0.7428183 0.4583333), wk = 0.0029412 k( 251) = ( -0.2571817 0.7428183 0.4722222), wk = 0.0029412 k( 252) = ( -0.2571817 0.7428183 0.4861111), wk = 0.0029412 k( 253) = ( -0.2571817 0.7428183 0.5000000), wk = 0.0029412 k( 254) = ( -0.2571817 0.7428183 0.5000000), wk = 0.0029412 k( 255) = ( -0.2641194 0.7358806 0.5000000), wk = 0.0029412 k( 256) = ( -0.2710571 0.7289429 0.5000000), wk = 0.0029412 k( 257) = ( -0.2779947 0.7220053 0.5000000), wk = 0.0029412 k( 258) = ( -0.2849324 0.7150676 0.5000000), wk = 0.0029412 k( 259) = ( -0.2918701 0.7081299 0.5000000), wk = 0.0029412 k( 260) = ( -0.2988077 0.7011923 0.5000000), wk = 0.0029412 k( 261) = ( -0.3057454 0.6942546 0.5000000), wk = 0.0029412 k( 262) = ( -0.3126831 0.6873170 0.5000000), wk = 0.0029412 k( 263) = ( -0.3196207 0.6803793 0.5000000), wk = 0.0029412 k( 264) = ( -0.3265584 0.6734416 0.5000000), wk = 0.0029412 k( 265) = ( -0.3334960 0.6665039 0.5000000), wk = 0.0029412 k( 266) = ( -0.3404337 0.6595663 0.5000000), wk = 0.0029412 k( 267) = ( -0.3473714 0.6526286 0.5000000), wk = 0.0029412 k( 268) = ( -0.3543090 0.6456910 0.5000000), wk = 0.0029412 k( 269) = ( -0.3612467 0.6387533 0.5000000), wk = 0.0029412 k( 270) = ( -0.3681844 0.6318156 0.5000000), wk = 0.0029412 k( 271) = ( -0.3751220 0.6248780 0.5000000), wk = 0.0029412 k( 272) = ( -0.3820597 0.6179403 0.5000000), wk = 0.0029412 k( 273) = ( -0.3889974 0.6110026 0.5000000), wk = 0.0029412 k( 274) = ( -0.3959350 0.6040650 0.5000000), wk = 0.0029412 k( 275) = ( -0.4028727 0.5971273 0.5000000), wk = 0.0029412 k( 276) = ( -0.4098104 0.5901896 0.5000000), wk = 0.0029412 k( 277) = ( -0.4167480 0.5832520 0.5000000), wk = 0.0029412 k( 278) = ( -0.4236857 0.5763143 0.5000000), wk = 0.0029412 k( 279) = ( -0.4306234 0.5693767 0.5000000), wk = 0.0029412 k( 280) = ( -0.4375610 0.5624390 0.5000000), wk = 0.0029412 k( 281) = ( -0.4444987 0.5555013 0.5000000), wk = 0.0029412 k( 282) = ( -0.4514363 0.5485636 0.5000000), wk = 0.0029412 k( 283) = ( -0.4583740 0.5416260 0.5000000), wk = 0.0029412 k( 284) = ( -0.4653117 0.5346883 0.5000000), wk = 0.0029412 k( 285) = ( -0.4722493 0.5277507 0.5000000), wk = 0.0029412 k( 286) = ( -0.4791870 0.5208130 0.5000000), wk = 0.0029412 k( 287) = ( -0.4861247 0.5138753 0.5000000), wk = 0.0029412 k( 288) = ( -0.4930623 0.5069377 0.5000000), wk = 0.0029412 k( 289) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 290) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 291) = ( -0.5000000 0.5000000 0.4861111), wk = 0.0029412 k( 292) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0029412 k( 293) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0029412 k( 294) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0029412 k( 295) = ( -0.5000000 0.5000000 0.4305556), wk = 0.0029412 k( 296) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0029412 k( 297) = ( -0.5000000 0.5000000 0.4027778), wk = 0.0029412 k( 298) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0029412 k( 299) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0029412 k( 300) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0029412 k( 301) = ( -0.5000000 0.5000000 0.3472222), wk = 0.0029412 k( 302) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0029412 k( 303) = ( -0.5000000 0.5000000 0.3194444), wk = 0.0029412 k( 304) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0029412 k( 305) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0029412 k( 306) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0029412 k( 307) = ( -0.5000000 0.5000000 0.2638889), wk = 0.0029412 k( 308) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0029412 k( 309) = ( -0.5000000 0.5000000 0.2361111), wk = 0.0029412 k( 310) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0029412 k( 311) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0029412 k( 312) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0029412 k( 313) = ( -0.5000000 0.5000000 0.1805556), wk = 0.0029412 k( 314) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0029412 k( 315) = ( -0.5000000 0.5000000 0.1527778), wk = 0.0029412 k( 316) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0029412 k( 317) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0029412 k( 318) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0029412 k( 319) = ( -0.5000000 0.5000000 0.0972222), wk = 0.0029412 k( 320) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0029412 k( 321) = ( -0.5000000 0.5000000 0.0694444), wk = 0.0029412 k( 322) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0029412 k( 323) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0029412 k( 324) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0029412 k( 325) = ( -0.5000000 0.5000000 0.0138889), wk = 0.0029412 k( 326) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 327) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 328) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0029412 k( 329) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0029412 k( 330) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0029412 k( 331) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0029412 k( 332) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0029412 k( 333) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0029412 k( 334) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0029412 k( 335) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0029412 k( 336) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0029412 k( 337) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0029412 k( 338) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0029412 k( 339) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0029412 k( 340) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029412 Dense grid: 82125 G-vectors FFT dimensions: ( 120, 120, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 450, 50) NL pseudopotentials 0.91 Mb ( 225, 264) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.01 Mb ( 1712) G-vector shells 0.01 Mb ( 854) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.37 Mb ( 450, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.40 Mb ( 264, 2, 50) The potential is recalculated from file : ./LaTe3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 49.4 secs Computing kpt #: 2 total cpu time spent up to now is 58.1 secs Computing kpt #: 3 total cpu time spent up to now is 67.2 secs Computing kpt #: 4 total cpu time spent up to now is 75.9 secs Computing kpt #: 5 total cpu time spent up to now is 84.7 secs Computing kpt #: 6 total cpu time spent up to now is 93.4 secs Computing kpt #: 7 total cpu time spent up to now is 101.9 secs Computing kpt #: 8 total cpu time spent up to now is 110.5 secs Computing kpt #: 9 total cpu time spent up to now is 119.0 secs Computing kpt #: 10 total cpu time spent up to now is 127.5 secs Computing kpt #: 11 total cpu time spent up to now is 135.8 secs Computing kpt #: 12 total cpu time spent up to now is 144.5 secs Computing kpt #: 13 total cpu time spent up to now is 154.8 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.6 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.9 secs Computing kpt #: 16 total cpu time spent up to now is 184.8 secs Computing kpt #: 17 total cpu time spent up to now is 193.9 secs Computing kpt #: 18 total cpu time spent up to now is 202.8 secs Computing kpt #: 19 total cpu time spent up to now is 211.5 secs Computing kpt #: 20 total cpu time spent up to now is 220.5 secs Computing kpt #: 21 total cpu time spent up to now is 229.9 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.9 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.9 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.9 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.8 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.6 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.6 secs Computing kpt #: 28 total cpu time spent up to now is 299.2 secs Computing kpt #: 29 total cpu time spent up to now is 308.4 secs Computing kpt #: 30 total cpu time spent up to now is 317.6 secs Computing kpt #: 31 total cpu time spent up to now is 326.0 secs Computing kpt #: 32 total cpu time spent up to now is 334.3 secs Computing kpt #: 33 total cpu time spent up to now is 342.9 secs Computing kpt #: 34 total cpu time spent up to now is 352.0 secs Computing kpt #: 35 total cpu time spent up to now is 361.2 secs Computing kpt #: 36 total cpu time spent up to now is 370.6 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 380.4 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.1 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.8 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.4 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 419.0 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 428.7 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 438.2 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 447.7 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 457.3 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 466.9 secs Computing kpt #: 47 total cpu time spent up to now is 476.5 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 486.2 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.1 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 505.9 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 515.6 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 525.3 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 535.0 secs Computing kpt #: 54 total cpu time spent up to now is 544.3 secs Computing kpt #: 55 total cpu time spent up to now is 552.9 secs Computing kpt #: 56 total cpu time spent up to now is 561.2 secs Computing kpt #: 57 total cpu time spent up to now is 569.1 secs Computing kpt #: 58 total cpu time spent up to now is 576.8 secs Computing kpt #: 59 total cpu time spent up to now is 584.6 secs Computing kpt #: 60 total cpu time spent up to now is 592.3 secs Computing kpt #: 61 total cpu time spent up to now is 599.5 secs Computing kpt #: 62 total cpu time spent up to now is 606.7 secs Computing kpt #: 63 total cpu time spent up to now is 613.9 secs Computing kpt #: 64 total cpu time spent up to now is 620.9 secs Computing kpt #: 65 total cpu time spent up to now is 628.1 secs Computing kpt #: 66 total cpu time spent up to now is 635.3 secs Computing kpt #: 67 total cpu time spent up to now is 642.8 secs Computing kpt #: 68 total cpu time spent up to now is 650.9 secs Computing kpt #: 69 total cpu time spent up to now is 659.5 secs Computing kpt #: 70 total cpu time spent up to now is 668.8 secs Computing kpt #: 71 total cpu time spent up to now is 679.5 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 690.6 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 701.5 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 712.1 secs Computing kpt #: 75 total cpu time spent up to now is 722.5 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 733.0 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 743.5 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 753.9 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 764.4 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 774.8 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 785.2 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 795.5 secs Computing kpt #: 83 total cpu time spent up to now is 805.2 secs Computing kpt #: 84 total cpu time spent up to now is 815.0 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 825.3 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 835.6 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 846.0 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 856.4 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 866.6 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 876.9 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 887.3 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 898.0 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 908.3 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 918.5 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 928.8 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 939.1 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 949.5 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 959.8 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 970.1 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 980.4 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 990.7 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1001.3 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1011.8 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1022.4 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1033.0 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1043.6 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1054.3 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1064.8 secs Computing kpt #: 109 total cpu time spent up to now is 1074.8 secs Computing kpt #: 110 total cpu time spent up to now is 1083.3 secs Computing kpt #: 111 total cpu time spent up to now is 1093.6 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1103.4 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1113.3 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1123.2 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1133.0 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1142.8 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1152.5 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1162.3 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1172.1 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1181.8 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1191.6 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1201.3 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1211.0 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1220.6 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1230.3 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1239.9 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1249.6 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1259.2 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1268.9 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1278.5 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1288.2 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1298.0 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1307.6 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1317.3 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1327.0 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1336.7 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1346.4 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1356.1 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1365.9 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1375.7 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1385.5 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1395.4 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1405.3 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1415.3 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1425.2 secs Computing kpt #: 146 total cpu time spent up to now is 1434.7 secs Computing kpt #: 147 total cpu time spent up to now is 1443.3 secs Computing kpt #: 148 total cpu time spent up to now is 1451.1 secs Computing kpt #: 149 total cpu time spent up to now is 1458.4 secs Computing kpt #: 150 total cpu time spent up to now is 1465.7 secs Computing kpt #: 151 total cpu time spent up to now is 1473.1 secs Computing kpt #: 152 total cpu time spent up to now is 1480.3 secs Computing kpt #: 153 total cpu time spent up to now is 1488.0 secs Computing kpt #: 154 total cpu time spent up to now is 1495.5 secs Computing kpt #: 155 total cpu time spent up to now is 1503.4 secs Computing kpt #: 156 total cpu time spent up to now is 1511.8 secs Computing kpt #: 157 total cpu time spent up to now is 1520.3 secs Computing kpt #: 158 total cpu time spent up to now is 1528.8 secs Computing kpt #: 159 total cpu time spent up to now is 1537.5 secs Computing kpt #: 160 total cpu time spent up to now is 1545.9 secs Computing kpt #: 161 total cpu time spent up to now is 1554.7 secs Computing kpt #: 162 total cpu time spent up to now is 1563.6 secs Computing kpt #: 163 total cpu time spent up to now is 1572.5 secs Computing kpt #: 164 total cpu time spent up to now is 1581.4 secs Computing kpt #: 165 total cpu time spent up to now is 1590.2 secs Computing kpt #: 166 total cpu time spent up to now is 1598.9 secs Computing kpt #: 167 total cpu time spent up to now is 1607.4 secs Computing kpt #: 168 total cpu time spent up to now is 1616.1 secs Computing kpt #: 169 total cpu time spent up to now is 1624.9 secs Computing kpt #: 170 total cpu time spent up to now is 1634.1 secs Computing kpt #: 171 total cpu time spent up to now is 1643.4 secs Computing kpt #: 172 total cpu time spent up to now is 1652.7 secs Computing kpt #: 173 total cpu time spent up to now is 1662.1 secs Computing kpt #: 174 total cpu time spent up to now is 1671.3 secs Computing kpt #: 175 total cpu time spent up to now is 1680.6 secs Computing kpt #: 176 total cpu time spent up to now is 1690.2 secs Computing kpt #: 177 total cpu time spent up to now is 1699.5 secs Computing kpt #: 178 total cpu time spent up to now is 1708.8 secs Computing kpt #: 179 total cpu time spent up to now is 1717.6 secs Computing kpt #: 180 total cpu time spent up to now is 1726.3 secs Computing kpt #: 181 total cpu time spent up to now is 1734.9 secs Computing kpt #: 182 total cpu time spent up to now is 1744.3 secs Computing kpt #: 183 total cpu time spent up to now is 1753.9 secs Computing kpt #: 184 total cpu time spent up to now is 1763.5 secs Computing kpt #: 185 total cpu time spent up to now is 1772.9 secs Computing kpt #: 186 total cpu time spent up to now is 1782.7 secs Computing kpt #: 187 total cpu time spent up to now is 1793.6 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1804.6 secs Computing kpt #: 189 total cpu time spent up to now is 1814.9 secs Computing kpt #: 190 total cpu time spent up to now is 1824.2 secs Computing kpt #: 191 total cpu time spent up to now is 1832.5 secs Computing kpt #: 192 total cpu time spent up to now is 1840.5 secs Computing kpt #: 193 total cpu time spent up to now is 1848.1 secs Computing kpt #: 194 total cpu time spent up to now is 1855.5 secs Computing kpt #: 195 total cpu time spent up to now is 1862.9 secs Computing kpt #: 196 total cpu time spent up to now is 1870.2 secs Computing kpt #: 197 total cpu time spent up to now is 1877.5 secs Computing kpt #: 198 total cpu time spent up to now is 1884.9 secs Computing kpt #: 199 total cpu time spent up to now is 1893.0 secs Computing kpt #: 200 total cpu time spent up to now is 1901.1 secs Computing kpt #: 201 total cpu time spent up to now is 1909.7 secs Computing kpt #: 202 total cpu time spent up to now is 1919.2 secs Computing kpt #: 203 total cpu time spent up to now is 1929.0 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1938.9 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1948.8 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1958.6 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1968.8 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1978.7 secs Computing kpt #: 209 total cpu time spent up to now is 1987.7 secs Computing kpt #: 210 total cpu time spent up to now is 1996.5 secs Computing kpt #: 211 total cpu time spent up to now is 2005.2 secs Computing kpt #: 212 total cpu time spent up to now is 2014.4 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2024.1 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2033.7 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2043.5 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2053.2 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2062.9 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2072.6 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2082.3 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2092.3 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2101.9 secs Computing kpt #: 222 total cpu time spent up to now is 2111.5 secs Computing kpt #: 223 total cpu time spent up to now is 2120.7 secs Computing kpt #: 224 total cpu time spent up to now is 2129.2 secs Computing kpt #: 225 total cpu time spent up to now is 2137.5 secs Computing kpt #: 226 total cpu time spent up to now is 2145.3 secs Computing kpt #: 227 total cpu time spent up to now is 2152.9 secs Computing kpt #: 228 total cpu time spent up to now is 2160.4 secs Computing kpt #: 229 total cpu time spent up to now is 2167.6 secs Computing kpt #: 230 total cpu time spent up to now is 2174.8 secs Computing kpt #: 231 total cpu time spent up to now is 2181.9 secs Computing kpt #: 232 total cpu time spent up to now is 2189.1 secs Computing kpt #: 233 total cpu time spent up to now is 2196.2 secs Computing kpt #: 234 total cpu time spent up to now is 2203.3 secs Computing kpt #: 235 total cpu time spent up to now is 2210.4 secs Computing kpt #: 236 total cpu time spent up to now is 2217.6 secs Computing kpt #: 237 total cpu time spent up to now is 2224.9 secs Computing kpt #: 238 total cpu time spent up to now is 2232.6 secs Computing kpt #: 239 total cpu time spent up to now is 2240.9 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2251.7 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2262.5 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2273.3 secs Computing kpt #: 243 total cpu time spent up to now is 2283.6 secs Computing kpt #: 244 total cpu time spent up to now is 2293.3 secs Computing kpt #: 245 total cpu time spent up to now is 2302.5 secs Computing kpt #: 246 total cpu time spent up to now is 2311.7 secs Computing kpt #: 247 total cpu time spent up to now is 2321.1 secs Computing kpt #: 248 total cpu time spent up to now is 2330.4 secs Computing kpt #: 249 total cpu time spent up to now is 2339.5 secs Computing kpt #: 250 total cpu time spent up to now is 2348.8 secs Computing kpt #: 251 total cpu time spent up to now is 2358.8 secs Computing kpt #: 252 total cpu time spent up to now is 2369.2 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2379.5 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2389.8 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2400.4 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2410.9 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2421.4 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2431.9 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2442.5 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2453.2 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2463.7 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2474.2 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2484.6 secs Computing kpt #: 264 total cpu time spent up to now is 2494.8 secs Computing kpt #: 265 total cpu time spent up to now is 2505.0 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2515.9 secs Computing kpt #: 267 total cpu time spent up to now is 2525.6 secs Computing kpt #: 268 total cpu time spent up to now is 2534.8 secs Computing kpt #: 269 total cpu time spent up to now is 2543.9 secs Computing kpt #: 270 total cpu time spent up to now is 2553.4 secs Computing kpt #: 271 total cpu time spent up to now is 2562.1 secs Computing kpt #: 272 total cpu time spent up to now is 2571.1 secs Computing kpt #: 273 total cpu time spent up to now is 2579.9 secs Computing kpt #: 274 total cpu time spent up to now is 2588.7 secs Computing kpt #: 275 total cpu time spent up to now is 2597.7 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2607.5 secs Computing kpt #: 277 total cpu time spent up to now is 2616.8 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2626.5 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2636.3 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2646.0 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2655.7 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2665.3 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2675.0 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2684.7 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2694.6 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2704.4 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2714.1 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2723.7 secs Computing kpt #: 289 total cpu time spent up to now is 2731.1 secs Computing kpt #: 290 total cpu time spent up to now is 2738.6 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2748.2 secs Computing kpt #: 292 total cpu time spent up to now is 2757.5 secs Computing kpt #: 293 total cpu time spent up to now is 2765.9 secs Computing kpt #: 294 total cpu time spent up to now is 2773.6 secs Computing kpt #: 295 total cpu time spent up to now is 2781.1 secs Computing kpt #: 296 total cpu time spent up to now is 2788.8 secs Computing kpt #: 297 total cpu time spent up to now is 2796.4 secs Computing kpt #: 298 total cpu time spent up to now is 2804.1 secs Computing kpt #: 299 total cpu time spent up to now is 2812.3 secs Computing kpt #: 300 total cpu time spent up to now is 2821.0 secs Computing kpt #: 301 total cpu time spent up to now is 2830.8 secs Computing kpt #: 302 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2840.7 secs Computing kpt #: 303 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2850.5 secs Computing kpt #: 304 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2860.5 secs Computing kpt #: 305 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2870.4 secs Computing kpt #: 306 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2880.2 secs Computing kpt #: 307 total cpu time spent up to now is 2889.2 secs Computing kpt #: 308 total cpu time spent up to now is 2898.1 secs Computing kpt #: 309 total cpu time spent up to now is 2906.8 secs Computing kpt #: 310 total cpu time spent up to now is 2915.7 secs Computing kpt #: 311 total cpu time spent up to now is 2924.7 secs Computing kpt #: 312 total cpu time spent up to now is 2934.3 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2944.8 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2955.6 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2966.6 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2977.4 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2988.0 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2998.5 secs Computing kpt #: 319 total cpu time spent up to now is 3008.5 secs Computing kpt #: 320 total cpu time spent up to now is 3017.8 secs Computing kpt #: 321 total cpu time spent up to now is 3027.1 secs Computing kpt #: 322 total cpu time spent up to now is 3036.5 secs Computing kpt #: 323 total cpu time spent up to now is 3045.6 secs Computing kpt #: 324 total cpu time spent up to now is 3054.6 secs Computing kpt #: 325 total cpu time spent up to now is 3063.6 secs Computing kpt #: 326 total cpu time spent up to now is 3072.2 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3081.7 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3091.5 secs Computing kpt #: 329 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3100.9 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3110.5 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3120.1 secs Computing kpt #: 332 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3129.7 secs Computing kpt #: 333 total cpu time spent up to now is 3139.0 secs Computing kpt #: 334 total cpu time spent up to now is 3148.2 secs Computing kpt #: 335 total cpu time spent up to now is 3156.7 secs Computing kpt #: 336 total cpu time spent up to now is 3164.9 secs Computing kpt #: 337 total cpu time spent up to now is 3172.6 secs Computing kpt #: 338 total cpu time spent up to now is 3180.2 secs Computing kpt #: 339 total cpu time spent up to now is 3187.6 secs Computing kpt #: 340 total cpu time spent up to now is 3194.9 secs ethr = 2.38E-11, avg # of iterations = 98.6 total cpu time spent up to now is 3195.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10249 PWs) bands (ev): -6.6595 -6.6595 -6.4049 -6.4049 -4.7669 -4.7669 -3.9311 -3.9311 -2.3911 -2.3911 -2.3910 -2.3910 1.9019 1.9019 2.1046 2.1046 2.1081 2.1081 2.6816 2.6816 2.6853 2.6853 3.1455 3.1455 3.2975 3.2975 4.2055 4.2055 4.6675 4.6675 5.1737 5.1737 5.2870 5.2870 5.4378 5.4378 6.1955 6.1955 6.3140 6.3140 7.7076 7.7076 8.0033 8.0033 8.0761 8.0761 8.1320 8.1320 8.1324 8.1324 k = 0.0070 0.0410 0.0000 ( 10273 PWs) bands (ev): -6.6582 -6.6582 -6.4036 -6.4036 -4.7660 -4.7660 -3.9307 -3.9307 -2.3953 -2.3953 -2.3943 -2.3943 1.9026 1.9026 2.1063 2.1063 2.1113 2.1113 2.6833 2.6833 2.6874 2.6874 3.1435 3.1435 3.2994 3.2994 4.2041 4.2041 4.6639 4.6639 5.1772 5.1772 5.2799 5.2799 5.4399 5.4399 6.1947 6.1947 6.3075 6.3075 7.7097 7.7097 7.9949 7.9949 8.0786 8.0786 8.1059 8.1059 8.1507 8.1507 k = 0.0139 0.0820 0.0000 ( 10273 PWs) bands (ev): -6.6543 -6.6543 -6.3999 -6.3999 -4.7633 -4.7633 -3.9296 -3.9296 -2.4076 -2.4076 -2.4048 -2.4048 1.9047 1.9047 2.1116 2.1116 2.1206 2.1206 2.6885 2.6885 2.6935 2.6935 3.1376 3.1376 3.3052 3.3052 4.1999 4.1999 4.6536 4.6536 5.1870 5.1870 5.2601 5.2601 5.4448 5.4448 6.1927 6.1927 6.2883 6.2883 7.7157 7.7157 7.9722 7.9722 8.0712 8.0712 8.0861 8.0861 8.1594 8.1594 k = 0.0209 0.1230 0.0000 ( 10271 PWs) bands (ev): -6.6479 -6.6479 -6.3936 -6.3936 -4.7589 -4.7589 -3.9278 -3.9278 -2.4278 -2.4278 -2.4221 -2.4221 1.9083 1.9083 2.1206 2.1206 2.1356 2.1356 2.6973 2.6973 2.7034 2.7034 3.1280 3.1280 3.3145 3.3145 4.1932 4.1932 4.6378 4.6378 5.2000 5.2000 5.2315 5.2315 5.4499 5.4499 6.1897 6.1897 6.2575 6.2575 7.7250 7.7250 7.9389 7.9389 8.0341 8.0341 8.0910 8.0910 8.1567 8.1567 k = 0.0278 0.1640 0.0000 ( 10291 PWs) bands (ev): -6.6388 -6.6388 -6.3848 -6.3848 -4.7527 -4.7527 -3.9253 -3.9253 -2.4557 -2.4557 -2.4463 -2.4463 1.9136 1.9136 2.1332 2.1332 2.1559 2.1559 2.7097 2.7097 2.7170 2.7170 3.1151 3.1151 3.3271 3.3271 4.1844 4.1844 4.6181 4.6181 5.1844 5.1844 5.2263 5.2263 5.4530 5.4530 6.1860 6.1860 6.2166 6.2166 7.7352 7.7352 7.8983 7.8983 7.9921 7.9921 8.0949 8.0949 8.1421 8.1421 k = 0.0348 0.2051 0.0000 ( 10295 PWs) bands (ev): -6.6272 -6.6272 -6.3734 -6.3734 -4.7448 -4.7448 -3.9222 -3.9222 -2.4910 -2.4910 -2.4769 -2.4769 1.9209 1.9209 2.1494 2.1494 2.1810 2.1810 2.7256 2.7256 2.7341 2.7341 3.0990 3.0990 3.3427 3.3427 4.1741 4.1741 4.5958 4.5958 5.1385 5.1385 5.2454 5.2454 5.4525 5.4525 6.1659 6.1659 6.1837 6.1837 7.7388 7.7388 7.8586 7.8586 7.9464 7.9464 8.0935 8.0935 8.1189 8.1189 k = 0.0417 0.2461 0.0000 ( 10305 PWs) bands (ev): -6.6130 -6.6130 -6.3596 -6.3596 -4.7351 -4.7351 -3.9185 -3.9185 -2.5334 -2.5334 -2.5137 -2.5137 1.9304 1.9304 2.1691 2.1691 2.2104 2.2104 2.7449 2.7449 2.7543 2.7543 3.0801 3.0801 3.3611 3.3611 4.1630 4.1630 4.5723 4.5723 5.0843 5.0843 5.2661 5.2661 5.4473 5.4473 6.1105 6.1105 6.1799 6.1799 7.7154 7.7154 7.8399 7.8399 7.8969 7.8969 8.0721 8.0721 8.1024 8.1024 k = 0.0487 0.2871 0.0000 ( 10315 PWs) bands (ev): -6.5963 -6.5963 -6.3433 -6.3433 -4.7238 -4.7238 -3.9143 -3.9143 -2.5825 -2.5825 -2.5565 -2.5565 1.9420 1.9420 2.1920 2.1920 2.2438 2.2438 2.7673 2.7673 2.7773 2.7773 3.0590 3.0590 3.3821 3.3821 4.1517 4.1517 4.5482 4.5482 5.0236 5.0236 5.2859 5.2859 5.4368 5.4368 6.0500 6.0500 6.1769 6.1769 7.6580 7.6580 7.8403 7.8403 7.8513 7.8513 8.0343 8.0343 8.0897 8.0897 k = 0.0556 0.3281 0.0000 ( 10339 PWs) bands (ev): -6.5769 -6.5769 -6.3245 -6.3245 -4.7108 -4.7108 -3.9096 -3.9096 -2.6376 -2.6376 -2.6049 -2.6049 1.9560 1.9560 2.2182 2.2182 2.2807 2.2807 2.7919 2.7919 2.8027 2.8027 3.0371 3.0371 3.4054 3.4054 4.1410 4.1410 4.5243 4.5243 4.9574 4.9574 5.3033 5.3033 5.4206 5.4206 5.9865 5.9865 6.1743 6.1743 7.5819 7.5819 7.7797 7.7797 7.8705 7.8705 7.9956 7.9956 8.0658 8.0658 k = 0.0626 0.3691 0.0000 ( 10325 PWs) bands (ev): -6.5551 -6.5551 -6.3032 -6.3032 -4.6963 -4.6963 -3.9045 -3.9045 -2.6985 -2.6985 -2.6585 -2.6585 1.9722 1.9722 2.2475 2.2475 2.3207 2.3207 2.8157 2.8157 2.8308 2.8308 3.0168 3.0168 3.4309 3.4309 4.1314 4.1314 4.5007 4.5007 4.8865 4.8865 5.3167 5.3167 5.3993 5.3993 5.9214 5.9214 6.1717 6.1717 7.4953 7.4953 7.7084 7.7084 7.8884 7.8884 7.9642 7.9642 8.0268 8.0268 k = 0.0695 0.4101 0.0000 ( 10309 PWs) bands (ev): -6.5307 -6.5307 -6.2794 -6.2794 -4.6802 -4.6802 -3.8991 -3.8991 -2.7645 -2.7645 -2.7169 -2.7169 1.9908 1.9908 2.2797 2.2797 2.3634 2.3634 2.8326 2.8326 2.8625 2.8625 3.0034 3.0034 3.4580 3.4580 4.1233 4.1233 4.4776 4.4776 4.8121 4.8121 5.3212 5.3212 5.3770 5.3770 5.8560 5.8560 6.1684 6.1684 7.4011 7.4011 7.6271 7.6271 7.8836 7.8836 7.9365 7.9365 7.9943 7.9943 k = 0.0765 0.4511 0.0000 ( 10309 PWs) bands (ev): -6.5037 -6.5037 -6.2532 -6.2532 -4.6626 -4.6626 -3.8936 -3.8936 -2.8352 -2.8352 -2.7798 -2.7798 2.0117 2.0117 2.3149 2.3149 2.4087 2.4087 2.8350 2.8350 2.8978 2.8978 3.0046 3.0046 3.4862 3.4862 4.1171 4.1171 4.4553 4.4553 4.7354 4.7354 5.3049 5.3049 5.3653 5.3653 5.7910 5.7910 6.1638 6.1638 7.3011 7.3011 7.5367 7.5367 7.8386 7.8386 7.8941 7.8941 8.0053 8.0053 k = 0.0834 0.4921 0.0000 ( 10305 PWs) bands (ev): -6.4742 -6.4742 -6.2245 -6.2245 -4.6435 -4.6435 -3.8879 -3.8879 -2.9101 -2.9101 -2.8467 -2.8467 2.0348 2.0348 2.3527 2.3527 2.4563 2.4563 2.8202 2.8202 2.9362 2.9362 3.0240 3.0240 3.5147 3.5147 4.1127 4.1127 4.4338 4.4338 4.6582 4.6582 5.2680 5.2680 5.3644 5.3644 5.7267 5.7267 6.1569 6.1569 7.1963 7.1963 7.4387 7.4387 7.7564 7.7564 7.8591 7.8591 8.0320 8.0320 k = 0.0904 0.5331 0.0000 ( 10293 PWs) bands (ev): -6.4423 -6.4423 -6.1934 -6.1934 -4.6231 -4.6231 -3.8823 -3.8823 -2.9887 -2.9887 -2.9173 -2.9173 2.0601 2.0601 2.3931 2.3931 2.5060 2.5060 2.7935 2.7935 2.9773 2.9773 3.0569 3.0569 3.5426 3.5426 4.1098 4.1098 4.4130 4.4130 4.5824 4.5824 5.2212 5.2212 5.3643 5.3643 5.6631 5.6631 6.1469 6.1469 7.0878 7.0878 7.3347 7.3347 7.6602 7.6602 7.8104 7.8104 8.0302 8.0302 k = 0.0973 0.5741 0.0000 ( 10301 PWs) bands (ev): -6.4078 -6.4078 -6.1599 -6.1599 -4.6014 -4.6014 -3.8768 -3.8768 -3.0705 -3.0705 -2.9911 -2.9911 2.0875 2.0875 2.4357 2.4357 2.5576 2.5576 2.7608 2.7608 3.0205 3.0205 3.0983 3.0983 3.5684 3.5684 4.1078 4.1078 4.3929 4.3929 4.5110 4.5110 5.1688 5.1688 5.3616 5.3616 5.6001 5.6001 6.1330 6.1330 6.9763 6.9763 7.2262 7.2262 7.5583 7.5583 7.7328 7.7328 8.0043 8.0043 k = 0.1043 0.6152 0.0000 ( 10289 PWs) bands (ev): -6.3709 -6.3709 -6.1240 -6.1240 -4.5785 -4.5785 -3.8715 -3.8715 -3.1552 -3.1552 -3.0679 -3.0679 2.1169 2.1169 2.4799 2.4799 2.6111 2.6111 2.7259 2.7259 3.0656 3.0656 3.1451 3.1451 3.5902 3.5902 4.1054 4.1054 4.3730 4.3730 4.4483 4.4483 5.1130 5.1130 5.3554 5.3554 5.5375 5.5375 6.1143 6.1143 6.8626 6.8626 7.1143 7.1143 7.4540 7.4540 7.6322 7.6322 8.0057 8.0057 k = 0.1112 0.6562 0.0000 ( 10305 PWs) bands (ev): -6.3315 -6.3315 -6.0857 -6.0857 -4.5544 -4.5544 -3.8668 -3.8668 -3.2423 -3.2423 -3.1471 -3.1471 2.1481 2.1481 2.5242 2.5242 2.6663 2.6663 2.6926 2.6926 3.1119 3.1119 3.1959 3.1959 3.6057 3.6057 4.1004 4.1004 4.3516 4.3516 4.4009 4.4009 5.0553 5.0553 5.3453 5.3453 5.4748 5.4748 6.0901 6.0901 6.7473 6.7473 7.0001 7.0001 7.3490 7.3490 7.5193 7.5193 8.0242 8.0242 k = 0.1182 0.6972 0.0000 ( 10289 PWs) bands (ev): -6.2897 -6.2897 -6.0451 -6.0451 -4.5293 -4.5293 -3.8625 -3.8625 -3.3314 -3.3314 -3.2285 -3.2285 2.1810 2.1810 2.5624 2.5624 2.6679 2.6679 2.7233 2.7233 3.1586 3.1586 3.2500 3.2500 3.6128 3.6128 4.0907 4.0907 4.3288 4.3288 4.3738 4.3738 4.9970 4.9970 5.3313 5.3313 5.4120 5.4120 6.0598 6.0598 6.6310 6.6310 6.8845 6.8845 7.2448 7.2448 7.3998 7.3998 8.0542 8.0542 k = 0.1251 0.7382 0.0000 ( 10263 PWs) bands (ev): -6.2454 -6.2454 -6.0021 -6.0021 -4.5032 -4.5032 -3.8591 -3.8591 -3.4223 -3.4223 -3.3116 -3.3116 2.2153 2.2153 2.5736 2.5736 2.6739 2.6739 2.7819 2.7819 3.2041 3.2041 3.3066 3.3066 3.6099 3.6099 4.0763 4.0763 4.3113 4.3113 4.3632 4.3632 4.9395 4.9395 5.3135 5.3135 5.3490 5.3490 6.0229 6.0229 6.5145 6.5145 6.7682 6.7682 7.1423 7.1423 7.2765 7.2765 8.0929 8.0929 k = 0.1321 0.7792 0.0000 ( 10271 PWs) bands (ev): -6.1988 -6.1988 -5.9568 -5.9568 -4.4763 -4.4763 -3.8565 -3.8565 -3.5144 -3.5144 -3.3962 -3.3962 2.2506 2.2506 2.5551 2.5551 2.7141 2.7141 2.8421 2.8421 3.2458 3.2458 3.3650 3.3650 3.5988 3.5988 4.0602 4.0602 4.3001 4.3001 4.3660 4.3660 4.8839 4.8839 5.2858 5.2858 5.2921 5.2921 5.9789 5.9789 6.3981 6.3981 6.6518 6.6518 7.0423 7.0423 7.1510 7.1510 8.1384 8.1384 k = 0.1390 0.8202 0.0000 ( 10269 PWs) bands (ev): -6.1498 -6.1498 -5.9092 -5.9092 -4.4486 -4.4486 -3.8552 -3.8552 -3.6077 -3.6077 -3.4818 -3.4818 2.2860 2.2860 2.5301 2.5301 2.7664 2.7664 2.9037 2.9037 3.2780 3.2780 3.4242 3.4242 3.5863 3.5863 4.0460 4.0460 4.2911 4.2911 4.3813 4.3813 4.8318 4.8318 5.2230 5.2230 5.2673 5.2673 5.9278 5.9278 6.2826 6.2826 6.5361 6.5361 6.9454 6.9454 7.0243 7.0243 8.1893 8.1893 k = 0.1460 0.8612 0.0000 ( 10265 PWs) bands (ev): -6.0984 -6.0984 -5.8593 -5.8593 -4.4203 -4.4203 -3.8555 -3.8555 -3.7017 -3.7017 -3.5677 -3.5677 2.3198 2.3198 2.5081 2.5081 2.8229 2.8229 2.9667 2.9667 3.2914 3.2914 3.4819 3.4819 3.5869 3.5869 4.0351 4.0351 4.2820 4.2820 4.4054 4.4054 4.7851 4.7851 5.1607 5.1607 5.2396 5.2396 5.8697 5.8697 6.1685 6.1685 6.4216 6.4216 6.8517 6.8517 6.8972 6.8972 8.2444 8.2444 k = 0.1529 0.9022 0.0000 ( 10273 PWs) bands (ev): -6.0447 -6.0447 -5.8072 -5.8072 -4.3914 -4.3914 -3.8583 -3.8583 -3.7962 -3.7962 -3.6532 -3.6532 2.3483 2.3483 2.4948 2.4948 2.8808 2.8808 3.0307 3.0307 3.2793 3.2793 3.5353 3.5353 3.6141 3.6141 4.0272 4.0272 4.2725 4.2725 4.4324 4.4324 4.7469 4.7469 5.0996 5.0996 5.2093 5.2093 5.8049 5.8049 6.0566 6.0566 6.3087 6.3087 6.7599 6.7599 6.7716 6.7716 8.3024 8.3024 k = 0.1599 0.9432 0.0000 ( 10263 PWs) bands (ev): -5.9887 -5.9887 -5.7529 -5.7529 -4.3622 -4.3622 -3.8913 -3.8913 -3.8660 -3.8660 -3.7352 -3.7352 2.3652 2.3652 2.4972 2.4972 2.9368 2.9368 3.0949 3.0949 3.2483 3.2483 3.5862 3.5862 3.6655 3.6655 4.0215 4.0215 4.2621 4.2621 4.4545 4.4545 4.7221 4.7221 5.0410 5.0410 5.1768 5.1768 5.7342 5.7342 5.9476 5.9476 6.1979 6.1979 6.6416 6.6416 6.6765 6.6765 8.3622 8.3623 k = 0.1668 0.9842 0.0000 ( 10265 PWs) bands (ev): -5.9304 -5.9304 -5.6964 -5.6964 -4.3326 -4.3326 -3.9860 -3.9860 -3.8904 -3.8904 -3.8025 -3.8025 2.3681 2.3681 2.5181 2.5181 2.9834 2.9834 3.1549 3.1549 3.2198 3.2198 3.6390 3.6390 3.7291 3.7291 4.0176 4.0176 4.2503 4.2503 4.4637 4.4637 4.7151 4.7151 4.9872 4.9872 5.1424 5.1424 5.6584 5.6584 5.8426 5.8426 6.0897 6.0897 6.5157 6.5157 6.5930 6.5930 8.4187 8.4188 k = 0.1738 1.0253 0.0000 ( 10261 PWs) bands (ev): -5.8699 -5.8699 -5.6378 -5.6378 -4.3030 -4.3030 -4.0807 -4.0807 -3.9505 -3.9505 -3.8356 -3.8356 2.3631 2.3631 2.5512 2.5512 3.0010 3.0010 3.1863 3.1863 3.2447 3.2447 3.6941 3.6941 3.7977 3.7977 4.0157 4.0157 4.2369 4.2369 4.4571 4.4571 4.7222 4.7222 4.9434 4.9434 5.1067 5.1067 5.5787 5.5787 5.7428 5.7428 5.9845 5.9845 6.3906 6.3906 6.5128 6.5128 8.4511 8.4511 k = 0.1807 1.0663 0.0000 ( 10281 PWs) bands (ev): -5.8073 -5.8073 -5.5771 -5.5771 -4.2733 -4.2733 -4.1750 -4.1750 -4.0308 -4.0308 -3.8497 -3.8497 2.3567 2.3567 2.5894 2.5894 2.9765 2.9765 3.2227 3.2227 3.3072 3.3072 3.7497 3.7497 3.8678 3.8678 4.0169 4.0169 4.2214 4.2214 4.4394 4.4394 4.7258 4.7258 4.9206 4.9206 5.0706 5.0706 5.4967 5.4967 5.6497 5.6497 5.8825 5.8825 6.2668 6.2668 6.4354 6.4354 8.4807 8.4807 k = 0.1877 1.1073 0.0000 ( 10279 PWs) bands (ev): -5.7424 -5.7424 -5.5143 -5.5143 -4.2690 -4.2690 -4.2439 -4.2439 -4.1161 -4.1161 -3.8601 -3.8601 2.3520 2.3520 2.6272 2.6272 2.9309 2.9309 3.2802 3.2802 3.3738 3.3738 3.8034 3.8034 3.9344 3.9344 4.0261 4.0261 4.2040 4.2040 4.4170 4.4170 4.7077 4.7077 4.9251 4.9251 5.0377 5.0377 5.4146 5.4146 5.5649 5.5649 5.7845 5.7845 6.1448 6.1448 6.3603 6.3603 8.5115 8.5115 k = 0.1946 1.1483 0.0000 ( 10283 PWs) bands (ev): -5.6754 -5.6754 -5.4495 -5.4495 -4.3621 -4.3621 -4.2187 -4.2187 -4.1989 -4.1989 -3.8704 -3.8704 2.3507 2.3507 2.6577 2.6577 2.8864 2.8864 3.3470 3.3470 3.4403 3.4403 3.8507 3.8507 3.9842 3.9842 4.0579 4.0579 4.1855 4.1855 4.3942 4.3942 4.6710 4.6710 4.9304 4.9304 5.0248 5.0248 5.3363 5.3363 5.4898 5.4898 5.6909 5.6909 6.0250 6.0250 6.2873 6.2873 8.5437 8.5437 k = 0.2016 1.1893 0.0000 ( 10279 PWs) bands (ev): -5.6064 -5.6064 -5.3827 -5.3827 -4.4545 -4.4545 -4.2912 -4.2912 -4.1843 -4.1843 -3.8816 -3.8816 2.3534 2.3534 2.6673 2.6673 2.8622 2.8622 3.4176 3.4176 3.5051 3.5051 3.8855 3.8855 4.0150 4.0150 4.1172 4.1172 4.1668 4.1668 4.3742 4.3742 4.6263 4.6263 4.9036 4.9036 5.0437 5.0437 5.2712 5.2712 5.4250 5.4250 5.6030 5.6030 5.9080 5.9080 6.2162 6.2162 8.5769 8.5769 k = 0.2085 1.2303 0.0000 ( 10279 PWs) bands (ev): -5.5353 -5.5353 -5.3140 -5.3140 -4.5460 -4.5460 -4.3776 -4.3776 -4.1561 -4.1561 -3.8941 -3.8941 2.3605 2.3605 2.6445 2.6445 2.8716 2.8716 3.4897 3.4897 3.5660 3.5660 3.9038 3.9038 4.0459 4.0459 4.1494 4.1494 4.1826 4.1826 4.3614 4.3614 4.5799 4.5799 4.8601 4.8601 5.0508 5.0508 5.2422 5.2422 5.3702 5.3702 5.5228 5.5228 5.7952 5.7952 6.1471 6.1471 8.6111 8.6111 k = 0.2155 1.2713 0.0000 ( 10279 PWs) bands (ev): -5.4622 -5.4622 -5.2435 -5.2435 -4.6364 -4.6364 -4.4635 -4.4635 -4.1284 -4.1284 -3.9081 -3.9081 2.3723 2.3723 2.6003 2.6003 2.9048 2.9048 3.5615 3.5615 3.6202 3.6202 3.9096 3.9096 4.0773 4.0773 4.1347 4.1347 4.2382 4.2382 4.3645 4.3645 4.5344 4.5344 4.8135 4.8135 5.0188 5.0188 5.2591 5.2591 5.3263 5.3263 5.4539 5.4539 5.6890 5.6890 6.0800 6.0800 8.6457 8.6457 k = 0.2224 1.3123 0.0000 ( 10273 PWs) bands (ev): -5.3872 -5.3872 -5.1711 -5.1711 -4.7256 -4.7256 -4.5487 -4.5487 -4.1014 -4.1014 -3.9236 -3.9236 2.3890 2.3890 2.5483 2.5483 2.9482 2.9482 3.6307 3.6307 3.6635 3.6635 3.9101 3.9101 4.0983 4.0983 4.1267 4.1267 4.2706 4.2706 4.3924 4.3924 4.4932 4.4932 4.7713 4.7713 4.9717 4.9717 5.2528 5.2528 5.3241 5.3241 5.4026 5.4026 5.5975 5.5975 6.0152 6.0152 8.6805 8.6805 k = 0.2294 1.3533 0.0000 ( 10285 PWs) bands (ev): -5.3103 -5.3103 -5.0970 -5.0970 -4.8135 -4.8135 -4.6329 -4.6329 -4.0752 -4.0752 -3.9406 -3.9406 2.4105 2.4105 2.4949 2.4949 2.9954 2.9954 3.6814 3.6814 3.7039 3.7039 3.9112 3.9112 4.0978 4.0978 4.1327 4.1327 4.2830 4.2830 4.4201 4.4201 4.4718 4.4718 4.7423 4.7423 4.9311 4.9311 5.2063 5.2063 5.3261 5.3261 5.3784 5.3784 5.5474 5.5474 5.9532 5.9532 8.7150 8.7150 k = 0.2363 1.3944 0.0000 ( 10289 PWs) bands (ev): -5.2316 -5.2316 -5.0212 -5.0212 -4.9000 -4.9000 -4.7160 -4.7160 -4.0501 -4.0501 -3.9591 -3.9591 2.4357 2.4357 2.4439 2.4439 3.0435 3.0435 3.6879 3.6879 3.7600 3.7600 3.9154 3.9154 4.0883 4.0883 4.1414 4.1414 4.2795 4.2795 4.4056 4.4056 4.4960 4.4960 4.7368 4.7368 4.9061 4.9061 5.1571 5.1571 5.2787 5.2787 5.3620 5.3620 5.5703 5.5703 5.8949 5.8949 8.7489 8.7489 k = 0.2433 1.4354 0.0000 ( 10283 PWs) bands (ev): -5.1512 -5.1512 -4.9849 -4.9849 -4.9438 -4.9438 -4.7979 -4.7979 -4.0262 -4.0262 -3.9791 -3.9791 2.3927 2.3927 2.4685 2.4685 3.0908 3.0908 3.6727 3.6727 3.8055 3.8055 3.9215 3.9215 4.0784 4.0784 4.1458 4.1458 4.2573 4.2573 4.3909 4.3909 4.5217 4.5217 4.7578 4.7578 4.8979 4.8979 5.1166 5.1166 5.2094 5.2094 5.3509 5.3509 5.6334 5.6334 5.8421 5.8421 8.7818 8.7818 k = 0.2502 1.4764 0.0000 ( 10275 PWs) bands (ev): -5.0740 -5.0740 -5.0635 -5.0635 -4.8789 -4.8789 -4.8643 -4.8643 -4.0035 -4.0035 -4.0004 -4.0004 2.3460 2.3460 2.5045 2.5045 3.1357 3.1357 3.6432 3.6432 3.8274 3.8274 3.9317 3.9317 4.0691 4.0691 4.1371 4.1371 4.2294 4.2294 4.3853 4.3853 4.5441 4.5441 4.7895 4.7895 4.9020 4.9020 5.0909 5.0909 5.1504 5.1504 5.3479 5.3479 5.7040 5.7040 5.8012 5.8012 8.8130 8.8130 k = 0.2572 1.5174 0.0000 ( 10283 PWs) bands (ev): -5.1506 -5.1506 -4.9849 -4.9849 -4.9576 -4.9576 -4.7842 -4.7842 -4.0231 -4.0231 -3.9821 -3.9821 2.3026 2.3026 2.5452 2.5452 3.1768 3.1768 3.6043 3.6043 3.8192 3.8192 3.9487 3.9487 4.0525 4.0525 4.1103 4.1103 4.2174 4.2174 4.3832 4.3832 4.5703 4.5703 4.8005 4.8005 4.9190 4.9190 5.0685 5.0685 5.1431 5.1431 5.3500 5.3500 5.7295 5.7295 5.8188 5.8188 8.8423 8.8423 k = 0.2572 1.5174 0.0000 ( 10283 PWs) bands (ev): -5.1506 -5.1506 -4.9849 -4.9849 -4.9576 -4.9576 -4.7842 -4.7842 -4.0231 -4.0231 -3.9821 -3.9821 2.3026 2.3026 2.5452 2.5452 3.1768 3.1768 3.6043 3.6043 3.8192 3.8192 3.9487 3.9487 4.0525 4.0525 4.1103 4.1103 4.2174 4.2174 4.3832 4.3832 4.5703 4.5703 4.8005 4.8005 4.9190 4.9190 5.0685 5.0685 5.1431 5.1431 5.3500 5.3500 5.7295 5.7295 5.8188 5.8188 8.8423 8.8423 k = 0.2204 1.5174 0.0000 ( 10277 PWs) bands (ev): -5.1388 -5.1388 -4.9973 -4.9973 -4.9459 -4.9459 -4.7963 -4.7963 -4.0197 -4.0197 -3.9851 -3.9851 2.3100 2.3100 2.5371 2.5371 3.1738 3.1738 3.6026 3.6026 3.8269 3.8269 3.9473 3.9473 4.0555 4.0555 4.1134 4.1134 4.2204 4.2204 4.3844 4.3844 4.5666 4.5666 4.7987 4.7987 4.9157 4.9157 5.0702 5.0702 5.1409 5.1409 5.3507 5.3507 5.7302 5.7302 5.8104 5.8104 8.8375 8.8375 k = 0.1837 1.5174 0.0000 ( 10277 PWs) bands (ev): -5.1270 -5.1270 -5.0095 -5.0095 -4.9340 -4.9340 -4.8085 -4.8085 -4.0165 -4.0165 -3.9880 -3.9880 2.3197 2.3197 2.5256 2.5256 3.1763 3.1763 3.5875 3.5875 3.8422 3.8422 3.9476 3.9476 4.0549 4.0549 4.1160 4.1160 4.2278 4.2278 4.3871 4.3871 4.5640 4.5640 4.7912 4.7912 4.9138 4.9138 5.0692 5.0692 5.1410 5.1410 5.3537 5.3537 5.7287 5.7287 5.8040 5.8040 8.8323 8.8323 k = 0.1470 1.5174 0.0000 ( 10283 PWs) bands (ev): -5.1154 -5.1154 -5.0215 -5.0215 -4.9218 -4.9218 -4.8209 -4.8209 -4.0134 -4.0134 -3.9909 -3.9909 2.3312 2.3312 2.5115 2.5115 3.1833 3.1833 3.5646 3.5646 3.8609 3.8609 3.9483 3.9483 4.0508 4.0508 4.1194 4.1194 4.2379 4.2379 4.3909 4.3909 4.5630 4.5630 4.7793 4.7793 4.9134 4.9134 5.0658 5.0658 5.1424 5.1424 5.3584 5.3584 5.7258 5.7258 5.7996 5.7996 8.8276 8.8276 k = 0.1102 1.5174 0.0000 ( 10281 PWs) bands (ev): -5.1039 -5.1039 -5.0333 -5.0333 -4.9095 -4.9095 -4.8334 -4.8334 -4.0105 -4.0105 -3.9936 -3.9936 2.3440 2.3440 2.4960 2.4960 3.1934 3.1934 3.5397 3.5397 3.8800 3.8800 3.9478 3.9478 4.0447 4.0447 4.1234 4.1234 4.2489 4.2489 4.3950 4.3950 4.5635 4.5635 4.7652 4.7652 4.9140 4.9140 5.0614 5.0614 5.1439 5.1439 5.3638 5.3638 5.7224 5.7224 5.7966 5.7966 8.8237 8.8237 k = 0.0735 1.5174 0.0000 ( 10278 PWs) bands (ev): -5.0925 -5.0925 -5.0449 -5.0449 -4.8970 -4.8970 -4.8460 -4.8460 -4.0077 -4.0077 -3.9963 -3.9963 2.3567 2.3567 2.4809 2.4809 3.2042 3.2042 3.5174 3.5174 3.8977 3.8977 3.9447 3.9447 4.0389 4.0389 4.1269 4.1269 4.2586 4.2586 4.3987 4.3987 4.5654 4.5654 4.7515 4.7515 4.9151 4.9151 5.0572 5.0572 5.1452 5.1452 5.3687 5.3687 5.7193 5.7193 5.7946 5.7946 8.8209 8.8209 k = 0.0367 1.5174 0.0000 ( 10273 PWs) bands (ev): -5.0815 -5.0815 -5.0560 -5.0560 -4.8845 -4.8845 -4.8585 -4.8585 -4.0050 -4.0050 -3.9989 -3.9989 2.3669 2.3669 2.4689 2.4689 3.2126 3.2126 3.5016 3.5016 3.9131 3.9131 3.9384 3.9384 4.0350 4.0350 4.1292 4.1292 4.2652 4.2652 4.4013 4.4013 4.5675 4.5675 4.7415 4.7415 4.9159 4.9159 5.0544 5.0544 5.1459 5.1459 5.3721 5.3721 5.7173 5.7173 5.7935 5.7935 8.8192 8.8192 k = 0.0000 1.5174 0.0000 ( 10262 PWs) bands (ev): -5.0741 -5.0741 -5.0635 -5.0635 -4.8741 -4.8741 -4.8690 -4.8690 -4.0034 -4.0034 -4.0005 -4.0005 2.3711 2.3711 2.4642 2.4642 3.2158 3.2158 3.4959 3.4959 3.9228 3.9228 3.9318 3.9318 4.0337 4.0337 4.1300 4.1300 4.2676 4.2676 4.4022 4.4022 4.5684 4.5684 4.7377 4.7377 4.9163 4.9163 5.0533 5.0533 5.1461 5.1461 5.3733 5.3733 5.7166 5.7166 5.7932 5.7932 8.8186 8.8186 k = 0.0000 1.5174 0.0000 ( 10262 PWs) bands (ev): -5.0741 -5.0741 -5.0635 -5.0635 -4.8741 -4.8741 -4.8690 -4.8690 -4.0034 -4.0034 -4.0005 -4.0005 2.3711 2.3711 2.4642 2.4642 3.2158 3.2158 3.4959 3.4959 3.9228 3.9228 3.9318 3.9318 4.0337 4.0337 4.1300 4.1300 4.2676 4.2676 4.4022 4.4022 4.5684 4.5684 4.7377 4.7377 4.9163 4.9163 5.0533 5.0533 5.1461 5.1461 5.3733 5.3733 5.7166 5.7166 5.7932 5.7932 8.8186 8.8186 k = 0.0000 1.5174 0.0416 ( 10266 PWs) bands (ev): -5.0733 -5.0733 -5.0627 -5.0627 -4.8734 -4.8734 -4.8683 -4.8683 -4.0034 -4.0034 -4.0006 -4.0006 2.3720 2.3720 2.4648 2.4648 3.2150 3.2150 3.4860 3.4860 3.8967 3.8967 3.9262 3.9262 4.0084 4.0084 4.0996 4.0996 4.2660 4.2660 4.4398 4.4398 4.5416 4.5416 4.7655 4.7655 4.8937 4.8937 5.0571 5.0571 5.1903 5.1903 5.4039 5.4039 5.7120 5.7120 5.8100 5.8100 8.8171 8.8171 k = 0.0000 1.5174 0.0831 ( 10268 PWs) bands (ev): -5.0709 -5.0709 -5.0604 -5.0604 -4.8714 -4.8714 -4.8663 -4.8663 -4.0037 -4.0037 -4.0009 -4.0009 2.3747 2.3747 2.4664 2.4664 3.2121 3.2121 3.4567 3.4567 3.8193 3.8193 3.8944 3.8944 3.9693 3.9693 4.0307 4.0307 4.2657 4.2657 4.4803 4.4803 4.5136 4.5136 4.7798 4.7798 4.9220 4.9220 5.0492 5.0492 5.2987 5.2987 5.4801 5.4801 5.7070 5.7070 5.8538 5.8538 8.8121 8.8121 k = 0.0000 1.5174 0.1247 ( 10246 PWs) bands (ev): -5.0670 -5.0670 -5.0566 -5.0566 -4.8681 -4.8681 -4.8630 -4.8630 -4.0041 -4.0041 -4.0013 -4.0013 2.3789 2.3789 2.4691 2.4691 3.2053 3.2053 3.4092 3.4092 3.7077 3.7077 3.8330 3.8330 3.8883 3.8883 4.0023 4.0023 4.2503 4.2503 4.4438 4.4438 4.5284 4.5284 4.8030 4.8030 4.9859 4.9859 5.0678 5.0678 5.4298 5.4298 5.5785 5.5785 5.7141 5.7141 5.9204 5.9204 8.7976 8.7976 k = 0.0000 1.5174 0.1662 ( 10260 PWs) bands (ev): -5.0615 -5.0615 -5.0512 -5.0512 -4.8634 -4.8634 -4.8584 -4.8584 -4.0047 -4.0047 -4.0019 -4.0019 2.3845 2.3845 2.4725 2.4725 3.1899 3.1899 3.3462 3.3462 3.5857 3.5857 3.7397 3.7397 3.7906 3.7906 3.9996 3.9996 4.2201 4.2201 4.3978 4.3978 4.5219 4.5219 4.8625 4.8625 5.0072 5.0072 5.1481 5.1481 5.5677 5.5677 5.6716 5.6716 5.7585 5.7585 6.0103 6.0103 8.7584 8.7584 k = 0.0000 1.5174 0.2078 ( 10250 PWs) bands (ev): -5.0545 -5.0545 -5.0443 -5.0443 -4.8574 -4.8574 -4.8525 -4.8525 -4.0054 -4.0054 -4.0026 -4.0026 2.3910 2.3910 2.4762 2.4762 3.1565 3.1565 3.2719 3.2719 3.4666 3.4666 3.6249 3.6249 3.6973 3.6973 3.9989 3.9989 4.1830 4.1830 4.3510 4.3510 4.5142 4.5142 4.9213 4.9213 5.0262 5.0262 5.2344 5.2344 5.7037 5.7037 5.7385 5.7385 5.8705 5.8705 6.1228 6.1228 8.7121 8.7121 k = 0.0000 1.5174 0.2493 ( 10262 PWs) bands (ev): -5.0460 -5.0460 -5.0360 -5.0360 -4.8502 -4.8502 -4.8454 -4.8454 -4.0063 -4.0063 -4.0035 -4.0035 2.3979 2.3979 2.4796 2.4796 3.0926 3.0926 3.1886 3.1886 3.3598 3.3598 3.5077 3.5077 3.6072 3.6072 3.9937 3.9937 4.1463 4.1463 4.3099 4.3099 4.5108 4.5108 4.9579 4.9579 5.0590 5.0590 5.2992 5.2992 5.8046 5.8046 5.8543 5.8543 6.0157 6.0157 6.2545 6.2545 8.6671 8.6671 k = 0.0000 1.5174 0.2909 ( 10270 PWs) bands (ev): -5.0361 -5.0361 -5.0262 -5.0262 -4.8418 -4.8418 -4.8370 -4.8370 -4.0074 -4.0074 -4.0046 -4.0046 2.4043 2.4043 2.4815 2.4815 3.0000 3.0000 3.0903 3.0903 3.2629 3.2629 3.3955 3.3955 3.5320 3.5320 3.9799 3.9799 4.1170 4.1170 4.2763 4.2763 4.5110 4.5110 4.9772 4.9772 5.0950 5.0950 5.3369 5.3369 5.9113 5.9113 5.9979 5.9979 6.1759 6.1759 6.4006 6.4006 8.6253 8.6253 k = 0.0000 1.5174 0.3325 ( 10270 PWs) bands (ev): -5.0247 -5.0247 -5.0150 -5.0150 -4.8322 -4.8322 -4.8275 -4.8275 -4.0086 -4.0086 -4.0058 -4.0058 2.4086 2.4086 2.4795 2.4795 2.8931 2.8931 2.9776 2.9776 3.1605 3.1605 3.2861 3.2861 3.4858 3.4858 3.9562 3.9562 4.0987 4.0987 4.2496 4.2496 4.5139 4.5139 4.9888 4.9888 5.1225 5.1225 5.3529 5.3529 6.0420 6.0420 6.1485 6.1485 6.3450 6.3450 6.5570 6.5570 8.5877 8.5877 k = 0.0000 1.5174 0.3740 ( 10268 PWs) bands (ev): -5.0119 -5.0119 -5.0024 -5.0024 -4.8216 -4.8216 -4.8169 -4.8169 -4.0099 -4.0099 -4.0072 -4.0072 2.4085 2.4085 2.4689 2.4689 2.7845 2.7845 2.8590 2.8590 3.0507 3.0507 3.1749 3.1749 3.4668 3.4668 3.9266 3.9266 4.0887 4.0887 4.2287 4.2287 4.5189 4.5189 4.9962 4.9962 5.1392 5.1392 5.3549 5.3549 6.1895 6.1895 6.3052 6.3052 6.5198 6.5198 6.7204 6.7204 8.5548 8.5548 k = 0.0000 1.5174 0.4156 ( 10268 PWs) bands (ev): -4.9978 -4.9978 -4.9885 -4.9885 -4.8099 -4.8099 -4.8052 -4.8052 -4.0114 -4.0114 -4.0087 -4.0087 2.3990 2.3990 2.4404 2.4404 2.6844 2.6844 2.7430 2.7430 2.9418 2.9418 3.0637 3.0637 3.4647 3.4647 3.8960 3.8960 4.0826 4.0826 4.2134 4.2134 4.5253 4.5253 4.9997 4.9997 5.1463 5.1463 5.3482 5.3482 6.3477 6.3477 6.4668 6.4668 6.6985 6.6985 6.8887 6.8887 8.5272 8.5272 k = 0.0000 1.5174 0.4571 ( 10264 PWs) bands (ev): -4.9825 -4.9825 -4.9734 -4.9734 -4.7972 -4.7972 -4.7926 -4.7926 -4.0131 -4.0131 -4.0104 -4.0104 2.3611 2.3611 2.3943 2.3943 2.5878 2.5878 2.6492 2.6492 2.8435 2.8435 2.9579 2.9579 3.4721 3.4721 3.8674 3.8674 4.0777 4.0777 4.2035 4.2035 4.5327 4.5327 4.9992 4.9992 5.1457 5.1457 5.3358 5.3358 6.5127 6.5127 6.6320 6.6320 6.8798 6.8798 7.0604 7.0604 8.5052 8.5052 k = 0.0000 1.5174 0.4987 ( 10262 PWs) bands (ev): -4.9660 -4.9660 -4.9571 -4.9571 -4.7836 -4.7836 -4.7790 -4.7790 -4.0149 -4.0149 -4.0122 -4.0122 2.2737 2.2737 2.3454 2.3454 2.4802 2.4802 2.5841 2.5841 2.7684 2.7684 2.8651 2.8651 3.4851 3.4851 3.8419 3.8419 4.0732 4.0732 4.1984 4.1984 4.5408 4.5408 4.9943 4.9943 5.1394 5.1394 5.3190 5.3190 6.6818 6.6818 6.7996 6.7996 7.0627 7.0627 7.2341 7.2341 8.4891 8.4891 k = 0.0000 1.5174 0.5402 ( 10260 PWs) bands (ev): -4.9483 -4.9483 -4.9397 -4.9397 -4.7693 -4.7693 -4.7646 -4.7646 -4.0168 -4.0168 -4.0142 -4.0142 2.1657 2.1657 2.2715 2.2715 2.3742 2.3742 2.5130 2.5130 2.7268 2.7268 2.7940 2.7940 3.5015 3.5015 3.8203 3.8203 4.0697 4.0697 4.1975 4.1975 4.5491 4.5491 4.9851 4.9851 5.1290 5.1290 5.2988 5.2988 6.8533 6.8533 6.9686 6.9686 7.2464 7.2464 7.4089 7.4089 8.4790 8.4790 k = 0.0000 1.5174 0.5818 ( 10260 PWs) bands (ev): -4.9297 -4.9297 -4.9213 -4.9213 -4.7542 -4.7542 -4.7495 -4.7495 -4.0189 -4.0189 -4.0164 -4.0164 2.0514 2.0514 2.1731 2.1731 2.2721 2.2721 2.4243 2.4243 2.7111 2.7111 2.7495 2.7495 3.5200 3.5200 3.8028 3.8028 4.0679 4.0679 4.1998 4.1998 4.5574 4.5574 4.9715 4.9715 5.1155 5.1155 5.2757 5.2757 7.0259 7.0259 7.1379 7.1379 7.4303 7.4303 7.5841 7.5841 8.4751 8.4751 k = 0.0000 1.5174 0.6234 ( 10256 PWs) bands (ev): -4.9101 -4.9101 -4.9019 -4.9019 -4.7386 -4.7386 -4.7338 -4.7338 -4.0210 -4.0210 -4.0186 -4.0186 1.9361 1.9361 2.0632 2.0632 2.1693 2.1693 2.3238 2.3238 2.7050 2.7050 2.7303 2.7303 3.5396 3.5396 3.7895 3.7895 4.0688 4.0688 4.2047 4.2047 4.5654 4.5654 4.9540 4.9540 5.0998 5.0998 5.2500 5.2500 7.1986 7.1986 7.3067 7.3067 7.6136 7.6136 7.7588 7.7588 8.4774 8.4774 k = 0.0000 1.5174 0.6649 ( 10250 PWs) bands (ev): -4.8897 -4.8897 -4.8817 -4.8817 -4.7225 -4.7225 -4.7175 -4.7175 -4.0233 -4.0233 -4.0210 -4.0210 1.8221 1.8221 1.9504 1.9504 2.0648 2.0648 2.2180 2.2180 2.6993 2.6993 2.7304 2.7304 3.5597 3.5597 3.7806 3.7806 4.0729 4.0729 4.2116 4.2116 4.5727 4.5727 4.9333 4.9333 5.0821 5.0821 5.2223 5.2223 7.3702 7.3702 7.4743 7.4743 7.7956 7.7956 7.9323 7.9323 8.4860 8.4860 k = 0.0000 1.5174 0.7065 ( 10258 PWs) bands (ev): -4.8686 -4.8686 -4.8608 -4.8608 -4.7060 -4.7060 -4.7009 -4.7009 -4.0257 -4.0257 -4.0235 -4.0235 1.7109 1.7109 1.8384 1.8384 1.9604 1.9604 2.1106 2.1106 2.6960 2.6960 2.7382 2.7382 3.5796 3.5796 3.7763 3.7763 4.0805 4.0805 4.2200 4.2200 4.5792 4.5792 4.9100 4.9100 5.0627 5.0627 5.1930 5.1930 7.5401 7.5401 7.6397 7.6397 7.9752 7.9752 8.1036 8.1036 8.5012 8.5012 k = 0.0000 1.5174 0.7480 ( 10258 PWs) bands (ev): -4.8468 -4.8468 -4.8392 -4.8392 -4.6893 -4.6893 -4.6840 -4.6840 -4.0281 -4.0281 -4.0261 -4.0261 1.6030 1.6030 1.7286 1.7286 1.8575 1.8575 2.0041 2.0041 2.6956 2.6956 2.7484 2.7484 3.5993 3.5993 3.7764 3.7764 4.0917 4.0917 4.2298 4.2298 4.5844 4.5844 4.8848 4.8848 5.0419 5.0419 5.1629 5.1629 7.7073 7.7073 7.8023 7.8023 8.1509 8.1509 8.2715 8.2715 8.5239 8.5239 k = 0.0000 1.5174 0.7896 ( 10250 PWs) bands (ev): -4.8246 -4.8246 -4.8171 -4.8171 -4.6725 -4.6725 -4.6670 -4.6670 -4.0307 -4.0307 -4.0288 -4.0288 1.4991 1.4991 1.6220 1.6220 1.7573 1.7573 1.8996 1.8996 2.6971 2.6971 2.7588 2.7588 3.6184 3.6184 3.7810 3.7810 4.1060 4.1060 4.2407 4.2407 4.5878 4.5878 4.8584 4.8584 5.0199 5.0199 5.1325 5.1325 7.8709 7.8709 7.9613 7.9613 8.3197 8.3197 8.4325 8.4325 8.5588 8.5588 k = 0.0000 1.5174 0.8311 ( 10250 PWs) bands (ev): -4.8021 -4.8021 -4.7946 -4.7946 -4.6557 -4.6557 -4.6501 -4.6501 -4.0333 -4.0333 -4.0316 -4.0316 1.3995 1.3995 1.5192 1.5192 1.6607 1.6607 1.7982 1.7982 2.6997 2.6997 2.7686 2.7686 3.6371 3.6371 3.7899 3.7899 4.1228 4.1228 4.2525 4.2525 4.5889 4.5889 4.8313 4.8313 4.9975 4.9975 5.1027 5.1027 8.0300 8.0300 8.1159 8.1159 8.4698 8.4698 8.5666 8.5666 8.6346 8.6346 k = 0.0000 1.5174 0.8727 ( 10254 PWs) bands (ev): -4.7793 -4.7793 -4.7720 -4.7720 -4.6391 -4.6391 -4.6334 -4.6334 -4.0360 -4.0360 -4.0344 -4.0344 1.3047 1.3047 1.4204 1.4204 1.5683 1.5683 1.7004 1.7004 2.7028 2.7028 2.7772 2.7772 3.6556 3.6556 3.8028 3.8028 4.1414 4.1414 4.2650 4.2650 4.5869 4.5869 4.8037 4.8037 4.9754 4.9754 5.0743 5.0743 8.1837 8.1837 8.2652 8.2652 8.5634 8.5634 8.6853 8.6853 8.7738 8.7738 k = 0.0000 1.5174 0.9143 ( 10254 PWs) bands (ev): -4.7565 -4.7565 -4.7492 -4.7492 -4.6229 -4.6229 -4.6170 -4.6170 -4.0387 -4.0387 -4.0373 -4.0373 1.2149 1.2149 1.3261 1.3261 1.4805 1.4805 1.6067 1.6067 2.7063 2.7063 2.7845 2.7845 3.6744 3.6744 3.8192 3.8192 4.1610 4.1610 4.2780 4.2780 4.5811 4.5811 4.7758 4.7758 4.9549 4.9549 5.0479 5.0479 8.3310 8.3310 8.4084 8.4084 8.6168 8.6168 8.8212 8.8212 8.9217 8.9217 k = 0.0000 1.5174 0.9558 ( 10258 PWs) bands (ev): -4.7338 -4.7338 -4.7265 -4.7265 -4.6071 -4.6071 -4.6011 -4.6011 -4.0414 -4.0414 -4.0403 -4.0403 1.1304 1.1304 1.2366 1.2366 1.3976 1.3976 1.5176 1.5176 2.7099 2.7099 2.7902 2.7902 3.6939 3.6939 3.8386 3.8386 4.1807 4.1807 4.2909 4.2909 4.5706 4.5706 4.7474 4.7474 4.9373 4.9373 5.0243 5.0243 8.4706 8.4706 8.5447 8.5447 8.6642 8.6642 8.9450 8.9450 9.0647 9.0647 k = 0.0000 1.5174 0.9974 ( 10260 PWs) bands (ev): -4.7113 -4.7113 -4.7040 -4.7040 -4.5921 -4.5921 -4.5859 -4.5859 -4.0441 -4.0441 -4.0432 -4.0432 1.0515 1.0515 1.1520 1.1520 1.3201 1.3201 1.4332 1.4332 2.7136 2.7136 2.7944 2.7944 3.7144 3.7144 3.8604 3.8604 4.2001 4.2001 4.3031 4.3031 4.5550 4.5550 4.7186 4.7186 4.9236 4.9236 5.0041 5.0041 8.6009 8.6009 8.6734 8.6734 8.7131 8.7131 9.0445 9.0445 9.1996 9.1996 k = 0.0000 1.5174 1.0389 ( 10260 PWs) bands (ev): -4.6893 -4.6893 -4.6820 -4.6820 -4.5779 -4.5779 -4.5716 -4.5716 -4.0468 -4.0468 -4.0461 -4.0461 0.9783 0.9783 1.0728 1.0728 1.2483 1.2483 1.3540 1.3540 2.7173 2.7173 2.7971 2.7971 3.7363 3.7363 3.8842 3.8842 4.2186 4.2186 4.3140 4.3140 4.5343 4.5343 4.6891 4.6891 4.9147 4.9147 4.9877 4.9877 8.7171 8.7171 8.7679 8.7679 8.7942 8.7942 9.1204 9.1204 9.3246 9.3246 k = 0.0000 1.5174 1.0805 ( 10260 PWs) bands (ev): -4.6679 -4.6679 -4.6605 -4.6605 -4.5648 -4.5648 -4.5583 -4.5583 -4.0495 -4.0495 -4.0490 -4.0490 0.9112 0.9112 0.9990 0.9990 1.1823 1.1823 1.2802 1.2802 2.7211 2.7211 2.7985 2.7985 3.7598 3.7598 3.9094 3.9094 4.2359 4.2359 4.3226 4.3226 4.5087 4.5087 4.6592 4.6592 4.9106 4.9106 4.9755 4.9755 8.7974 8.7974 8.8503 8.8503 8.9054 8.9054 9.1791 9.1791 9.4385 9.4385 k = 0.0000 1.5174 1.1220 ( 10260 PWs) bands (ev): -4.6472 -4.6472 -4.6397 -4.6397 -4.5528 -4.5528 -4.5462 -4.5462 -4.0521 -4.0521 -4.0518 -4.0518 0.8502 0.8502 0.9309 0.9309 1.1224 1.1224 1.2121 1.2121 2.7251 2.7251 2.7985 2.7985 3.7850 3.7850 3.9357 3.9357 4.2519 4.2519 4.3285 4.3285 4.4789 4.4789 4.6291 4.6291 4.9107 4.9107 4.9673 4.9673 8.8531 8.8531 8.9469 8.9469 9.0069 9.0069 9.2255 9.2255 9.5404 9.5404 k = 0.0000 1.5174 1.1636 ( 10258 PWs) bands (ev): -4.6275 -4.6275 -4.6199 -4.6199 -4.5423 -4.5423 -4.5355 -4.5355 -4.0546 -4.0546 -4.0543 -4.0543 0.7957 0.7957 0.8687 0.8687 1.0688 1.0688 1.1498 1.1498 2.7291 2.7291 2.7975 2.7975 3.8120 3.8120 3.9626 3.9626 4.2661 4.2661 4.3313 4.3313 4.4461 4.4461 4.5992 4.5992 4.9143 4.9143 4.9629 4.9629 8.9049 8.9049 9.0353 9.0353 9.0979 9.0979 9.2620 9.2620 9.6300 9.6300 k = 0.0000 1.5174 1.2051 ( 10270 PWs) bands (ev): -4.6089 -4.6089 -4.6012 -4.6012 -4.5333 -4.5333 -4.5263 -4.5263 -4.0571 -4.0571 -4.0567 -4.0567 0.7478 0.7478 0.8127 0.8127 1.0218 1.0218 1.0936 1.0936 2.7333 2.7333 2.7955 2.7955 3.8407 3.8407 3.9899 3.9899 4.2776 4.2776 4.3315 4.3315 4.4115 4.4115 4.5699 4.5699 4.9205 4.9205 4.9616 4.9616 8.9546 8.9546 9.1109 9.1109 9.1778 9.1778 9.2908 9.2908 9.7071 9.7071 k = 0.0000 1.5174 1.2467 ( 10274 PWs) bands (ev): -4.5916 -4.5916 -4.5837 -4.5837 -4.5259 -4.5259 -4.5187 -4.5187 -4.0593 -4.0593 -4.0589 -4.0589 0.7065 0.7065 0.7631 0.7631 0.9814 0.9814 1.0438 1.0438 2.7376 2.7376 2.7928 2.7928 3.8710 3.8710 4.0170 4.0170 4.2840 4.2840 4.3306 4.3306 4.3774 4.3774 4.5416 4.5416 4.9284 4.9284 4.9627 4.9627 9.0016 9.0016 9.1698 9.1698 9.2461 9.2461 9.3162 9.3162 9.7714 9.7714 k = 0.0000 1.5174 1.2883 ( 10276 PWs) bands (ev): -4.5757 -4.5757 -4.5678 -4.5678 -4.5204 -4.5204 -4.5129 -4.5129 -4.0613 -4.0613 -4.0609 -4.0609 0.6722 0.6722 0.7199 0.7199 0.9479 0.9479 1.0004 1.0004 2.7421 2.7421 2.7893 2.7893 3.9028 3.9028 4.0434 4.0434 4.2805 4.2805 4.3264 4.3264 4.3518 4.3518 4.5146 4.5146 4.9373 4.9373 4.9651 4.9651 9.0450 9.0450 9.2073 9.2073 9.3030 9.3030 9.3441 9.3441 9.8215 9.8215 k = 0.0000 1.5174 1.3298 ( 10274 PWs) bands (ev): -4.5615 -4.5615 -4.5534 -4.5534 -4.5168 -4.5168 -4.5091 -4.5091 -4.0630 -4.0630 -4.0626 -4.0626 0.6449 0.6449 0.6835 0.6835 0.9213 0.9213 0.9637 0.9637 2.7468 2.7468 2.7854 2.7854 3.9360 3.9360 4.0679 4.0679 4.2650 4.2650 4.3067 4.3067 4.3515 4.3515 4.4893 4.4893 4.9462 4.9462 4.9679 4.9679 9.0838 9.0838 9.2234 9.2234 9.3498 9.3498 9.3753 9.3753 9.8591 9.8591 k = 0.0000 1.5174 1.3714 ( 10268 PWs) bands (ev): -4.5489 -4.5489 -4.5407 -4.5407 -4.5152 -4.5152 -4.5072 -4.5072 -4.0643 -4.0643 -4.0639 -4.0639 0.6247 0.6247 0.6538 0.6538 0.9017 0.9017 0.9337 0.9337 2.7516 2.7516 2.7810 2.7810 3.9701 3.9701 4.0882 4.0882 4.2419 4.2419 4.2850 4.2850 4.3619 4.3619 4.4658 4.4658 4.9544 4.9544 4.9705 4.9705 9.1176 9.1176 9.2248 9.2248 9.3873 9.3873 9.4042 9.4042 9.8893 9.8893 k = 0.0000 1.5174 1.4129 ( 10256 PWs) bands (ev): -4.5383 -4.5383 -4.5300 -4.5300 -4.5156 -4.5156 -4.5075 -4.5075 -4.0653 -4.0653 -4.0650 -4.0650 0.6116 0.6116 0.6311 0.6311 0.8892 0.8892 0.9107 0.9107 2.7565 2.7565 2.7764 2.7764 4.0046 4.0046 4.0988 4.0988 4.2223 4.2223 4.2646 4.2646 4.3753 4.3753 4.4443 4.4443 4.9615 4.9615 4.9720 4.9720 9.1463 9.1463 9.2179 9.2179 9.4154 9.4154 9.4260 9.4260 9.9150 9.9153 k = 0.0000 1.5174 1.4545 ( 10250 PWs) bands (ev): -4.5295 -4.5295 -4.5212 -4.5212 -4.5182 -4.5182 -4.5099 -4.5099 -4.0658 -4.0658 -4.0657 -4.0657 0.6057 0.6057 0.6155 0.6155 0.8839 0.8839 0.8947 0.8947 2.7615 2.7615 2.7715 2.7715 4.0385 4.0385 4.0924 4.0924 4.2173 4.2173 4.2448 4.2448 4.3902 4.3902 4.4246 4.4246 4.9669 4.9669 4.9721 4.9721 9.1702 9.1702 9.2058 9.2058 9.4336 9.4336 9.4386 9.4386 9.9355 9.9359 k = 0.0000 1.5174 1.4960 ( 10260 PWs) bands (ev): -4.5228 -4.5228 -4.5228 -4.5228 -4.5145 -4.5145 -4.5145 -4.5145 -4.0660 -4.0660 -4.0660 -4.0660 0.6070 0.6070 0.6070 0.6070 0.8857 0.8857 0.8857 0.8857 2.7665 2.7665 2.7665 2.7665 4.0695 4.0695 4.0695 4.0695 4.2274 4.2274 4.2274 4.2274 4.4066 4.4066 4.4066 4.4066 4.9705 4.9705 4.9705 4.9705 9.1899 9.1899 9.1899 9.1899 9.4413 9.4413 9.4413 9.4413 9.9490 9.9490 k = 0.0000 1.5174 1.4960 ( 10260 PWs) bands (ev): -4.5228 -4.5228 -4.5228 -4.5228 -4.5145 -4.5145 -4.5145 -4.5145 -4.0660 -4.0660 -4.0660 -4.0660 0.6070 0.6070 0.6070 0.6070 0.8857 0.8857 0.8857 0.8857 2.7665 2.7665 2.7665 2.7665 4.0695 4.0695 4.0695 4.0695 4.2274 4.2274 4.2274 4.2274 4.4066 4.4066 4.4066 4.4066 4.9705 4.9705 4.9705 4.9705 9.1899 9.1899 9.1899 9.1899 9.4413 9.4413 9.4413 9.4413 9.9490 9.9490 k = 0.0367 1.5174 1.4960 ( 10252 PWs) bands (ev): -4.5230 -4.5230 -4.5229 -4.5229 -4.5145 -4.5145 -4.5144 -4.5144 -4.0660 -4.0660 -4.0659 -4.0659 0.6071 0.6071 0.6072 0.6072 0.8856 0.8856 0.8859 0.8859 2.7658 2.7658 2.7673 2.7673 4.0591 4.0591 4.0784 4.0784 4.2241 4.2241 4.2324 4.2324 4.3992 4.3992 4.4140 4.4140 4.9673 4.9673 4.9737 4.9737 9.1893 9.1893 9.1909 9.1909 9.4411 9.4411 9.4412 9.4412 9.9394 9.9397 k = 0.0735 1.5174 1.4960 ( 10264 PWs) bands (ev): -4.5233 -4.5233 -4.5232 -4.5232 -4.5143 -4.5143 -4.5142 -4.5142 -4.0659 -4.0659 -4.0659 -4.0659 0.6074 0.6074 0.6076 0.6076 0.8856 0.8856 0.8861 0.8861 2.7651 2.7651 2.7680 2.7680 4.0480 4.0480 4.0850 4.0850 4.2229 4.2229 4.2382 4.2382 4.3921 4.3921 4.4211 4.4211 4.9643 4.9643 4.9769 4.9769 9.1892 9.1892 9.1923 9.1923 9.4407 9.4407 9.4410 9.4410 9.9264 9.9265 k = 0.1102 1.5174 1.4960 ( 10284 PWs) bands (ev): -4.5238 -4.5238 -4.5236 -4.5236 -4.5141 -4.5141 -4.5139 -4.5139 -4.0659 -4.0659 -4.0659 -4.0659 0.6080 0.6080 0.6082 0.6082 0.8858 0.8858 0.8865 0.8865 2.7644 2.7644 2.7688 2.7688 4.0369 4.0369 4.0889 4.0889 4.2243 4.2243 4.2444 4.2444 4.3856 4.3856 4.4278 4.4278 4.9617 4.9617 4.9798 4.9798 9.1896 9.1896 9.1939 9.1939 9.4401 9.4401 9.4405 9.4405 9.9116 9.9116 k = 0.1470 1.5174 1.4960 ( 10276 PWs) bands (ev): -4.5244 -4.5244 -4.5242 -4.5242 -4.5138 -4.5138 -4.5136 -4.5136 -4.0659 -4.0659 -4.0659 -4.0659 0.6087 0.6087 0.6090 0.6090 0.8860 0.8860 0.8869 0.8869 2.7637 2.7637 2.7695 2.7695 4.0262 4.0262 4.0901 4.0901 4.2277 4.2277 4.2504 4.2504 4.3800 4.3800 4.4337 4.4337 4.9594 4.9594 4.9823 4.9823 9.1905 9.1905 9.1957 9.1957 9.4393 9.4393 9.4397 9.4397 9.8962 9.8962 k = 0.1837 1.5174 1.4960 ( 10282 PWs) bands (ev): -4.5252 -4.5252 -4.5249 -4.5249 -4.5135 -4.5135 -4.5132 -4.5132 -4.0659 -4.0659 -4.0659 -4.0659 0.6097 0.6097 0.6099 0.6099 0.8864 0.8864 0.8874 0.8874 2.7629 2.7629 2.7703 2.7703 4.0166 4.0166 4.0892 4.0892 4.2323 4.2323 4.2559 4.2559 4.3760 4.3760 4.4388 4.4388 4.9575 4.9575 4.9843 4.9843 9.1918 9.1918 9.1975 9.1975 9.4383 9.4383 9.4388 9.4388 9.8818 9.8818 k = 0.2204 1.5174 1.4960 ( 10278 PWs) bands (ev): -4.5261 -4.5261 -4.5258 -4.5258 -4.5132 -4.5132 -4.5128 -4.5128 -4.0658 -4.0658 -4.0658 -4.0658 0.6108 0.6108 0.6110 0.6110 0.8870 0.8870 0.8881 0.8881 2.7622 2.7622 2.7710 2.7710 4.0083 4.0083 4.0869 4.0869 4.2369 4.2369 4.2606 4.2606 4.3739 4.3739 4.4428 4.4428 4.9562 4.9562 4.9856 4.9856 9.1933 9.1933 9.1990 9.1990 9.4371 9.4371 9.4376 9.4376 9.8694 9.8694 k = 0.2572 1.5174 1.4960 ( 10282 PWs) bands (ev): -4.5271 -4.5271 -4.5267 -4.5267 -4.5129 -4.5129 -4.5125 -4.5125 -4.0658 -4.0658 -4.0658 -4.0658 0.6120 0.6120 0.6122 0.6122 0.8879 0.8879 0.8889 0.8889 2.7615 2.7615 2.7718 2.7718 4.0016 4.0016 4.0842 4.0842 4.2405 4.2405 4.2644 4.2644 4.3740 4.3740 4.4454 4.4454 4.9554 4.9554 4.9862 4.9862 9.1950 9.1950 9.2001 9.2001 9.4356 9.4356 9.4362 9.4362 9.8601 9.8601 k = 0.2572 1.5174 1.4960 ( 10282 PWs) bands (ev): -4.5271 -4.5271 -4.5267 -4.5267 -4.5129 -4.5129 -4.5125 -4.5125 -4.0658 -4.0658 -4.0658 -4.0658 0.6120 0.6120 0.6122 0.6122 0.8879 0.8879 0.8889 0.8889 2.7615 2.7615 2.7718 2.7718 4.0016 4.0016 4.0842 4.0842 4.2405 4.2405 4.2644 4.2644 4.3740 4.3740 4.4454 4.4454 4.9554 4.9554 4.9862 4.9862 9.1950 9.1950 9.2001 9.2001 9.4356 9.4356 9.4362 9.4362 9.8601 9.8601 k = 0.2502 1.4764 1.4960 ( 10286 PWs) bands (ev): -4.5228 -4.5228 -4.5228 -4.5228 -4.5145 -4.5145 -4.5145 -4.5145 -4.0660 -4.0660 -4.0659 -4.0659 0.6068 0.6068 0.6073 0.6073 0.8850 0.8850 0.8863 0.8863 2.7664 2.7664 2.7667 2.7667 4.0407 4.0407 4.0972 4.0972 4.2277 4.2277 4.2413 4.2413 4.3658 4.3658 4.4335 4.4335 4.9581 4.9581 4.9841 4.9841 9.1824 9.1824 9.1931 9.1931 9.4409 9.4409 9.4415 9.4415 9.9091 9.9091 k = 0.2433 1.4354 1.4960 ( 10278 PWs) bands (ev): -4.5267 -4.5267 -4.5265 -4.5265 -4.5129 -4.5129 -4.5125 -4.5125 -4.0658 -4.0658 -4.0657 -4.0657 0.6086 0.6086 0.6094 0.6094 0.8895 0.8895 0.8910 0.8910 2.7616 2.7616 2.7712 2.7712 4.0780 4.0780 4.0948 4.0948 4.2187 4.2187 4.2280 4.2280 4.3603 4.3603 4.4238 4.4238 4.9588 4.9588 4.9803 4.9803 9.1665 9.1665 9.1822 9.1822 9.4357 9.4357 9.4365 9.4365 9.9503 9.9503 k = 0.2363 1.3944 1.4960 ( 10286 PWs) bands (ev): -4.5350 -4.5350 -4.5345 -4.5345 -4.5112 -4.5112 -4.5103 -4.5103 -4.0651 -4.0651 -4.0650 -4.0650 0.6174 0.6174 0.6186 0.6186 0.9013 0.9013 0.9029 0.9029 2.7567 2.7567 2.7759 2.7759 4.0795 4.0795 4.1080 4.1080 4.2018 4.2018 4.2352 4.2352 4.3615 4.3615 4.4161 4.4161 4.9578 4.9578 4.9751 4.9751 9.1469 9.1469 9.1670 9.1670 9.4200 9.4200 9.4218 9.4218 9.9772 9.9773 k = 0.2294 1.3533 1.4960 ( 10278 PWs) bands (ev): -4.5457 -4.5457 -4.5448 -4.5448 -4.5111 -4.5111 -4.5098 -4.5098 -4.0641 -4.0641 -4.0640 -4.0640 0.6332 0.6332 0.6347 0.6347 0.9203 0.9203 0.9222 0.9222 2.7520 2.7520 2.7805 2.7805 4.0576 4.0576 4.1161 4.1161 4.2046 4.2046 4.2384 4.2384 4.3738 4.3738 4.4105 4.4105 4.9556 4.9556 4.9686 4.9686 9.1229 9.1229 9.1465 9.1465 9.3935 9.3935 9.3981 9.3981 9.9848 9.9861 k = 0.2224 1.3123 1.4960 ( 10274 PWs) bands (ev): -4.5585 -4.5585 -4.5573 -4.5573 -4.5129 -4.5129 -4.5112 -4.5112 -4.0628 -4.0628 -4.0626 -4.0626 0.6558 0.6558 0.6578 0.6578 0.9464 0.9464 0.9485 0.9485 2.7476 2.7476 2.7850 2.7850 4.0327 4.0327 4.0994 4.0994 4.2292 4.2292 4.2333 4.2333 4.3978 4.3978 4.4073 4.4073 4.9529 4.9529 4.9611 4.9611 9.0941 9.0941 9.1198 9.1198 9.3561 9.3561 9.3657 9.3657 9.9708 9.9710 k = 0.2155 1.2713 1.4960 ( 10262 PWs) bands (ev): -4.5730 -4.5730 -4.5715 -4.5715 -4.5167 -4.5167 -4.5146 -4.5146 -4.0611 -4.0611 -4.0609 -4.0609 0.6853 0.6853 0.6878 0.6878 0.9796 0.9796 0.9819 0.9819 2.7437 2.7437 2.7893 2.7893 4.0066 4.0066 4.0726 4.0726 4.2214 4.2214 4.2593 4.2593 4.4075 4.4075 4.4300 4.4300 4.9505 4.9505 4.9531 4.9531 9.0603 9.0603 9.0865 9.0865 9.3076 9.3076 9.3248 9.3248 9.9351 9.9351 k = 0.2085 1.2303 1.4960 ( 10250 PWs) bands (ev): -4.5892 -4.5892 -4.5874 -4.5874 -4.5223 -4.5223 -4.5198 -4.5198 -4.0592 -4.0592 -4.0590 -4.0590 0.7215 0.7215 0.7246 0.7246 1.0198 1.0198 1.0222 1.0222 2.7402 2.7402 2.7934 2.7934 3.9797 3.9797 4.0420 4.0420 4.2056 4.2056 4.2860 4.2860 4.4129 4.4129 4.4671 4.4671 4.9450 4.9450 4.9495 4.9495 9.0219 9.0219 9.0463 9.0463 9.2475 9.2475 9.2750 9.2750 9.8785 9.8785 k = 0.2016 1.1893 1.4960 ( 10250 PWs) bands (ev): -4.6068 -4.6068 -4.6047 -4.6047 -4.5297 -4.5297 -4.5268 -4.5268 -4.0571 -4.0571 -4.0568 -4.0568 0.7643 0.7643 0.7680 0.7680 1.0667 1.0667 1.0692 1.0692 2.7373 2.7373 2.7972 2.7972 3.9522 3.9522 4.0095 4.0095 4.1876 4.1876 4.3045 4.3045 4.4256 4.4256 4.5067 4.5067 4.9375 4.9375 4.9507 4.9507 8.9795 8.9795 8.9995 8.9995 9.1759 9.1759 9.2161 9.2161 9.8031 9.8031 k = 0.1946 1.1483 1.4960 ( 10254 PWs) bands (ev): -4.6257 -4.6257 -4.6234 -4.6234 -4.5387 -4.5387 -4.5355 -4.5355 -4.0547 -4.0547 -4.0545 -4.0545 0.8135 0.8135 0.8180 0.8180 1.1202 1.1202 1.1228 1.1228 2.7350 2.7350 2.8007 2.8007 3.9242 3.9242 3.9757 3.9757 4.1687 4.1687 4.3134 4.3134 4.4458 4.4458 4.5475 4.5475 4.9310 4.9310 4.9552 4.9552 8.9336 8.9336 8.9460 8.9460 9.0929 9.0929 9.1481 9.1481 9.7117 9.7117 k = 0.1877 1.1073 1.4960 ( 10254 PWs) bands (ev): -4.6457 -4.6457 -4.6432 -4.6432 -4.5493 -4.5493 -4.5458 -4.5458 -4.0523 -4.0523 -4.0520 -4.0520 0.8690 0.8690 0.8743 0.8743 1.1801 1.1801 1.1826 1.1826 2.7332 2.7332 2.8039 2.8039 3.8953 3.8953 3.9411 3.9411 4.1497 4.1497 4.3145 4.3145 4.4707 4.4707 4.5887 4.5887 4.9261 4.9261 4.9637 4.9637 8.8847 8.8847 8.8854 8.8854 8.9993 8.9993 9.0722 9.0722 9.6071 9.6071 k = 0.1807 1.0663 1.4960 ( 10256 PWs) bands (ev): -4.6667 -4.6667 -4.6640 -4.6640 -4.5612 -4.5612 -4.5574 -4.5574 -4.0497 -4.0497 -4.0494 -4.0494 0.9306 0.9306 0.9369 0.9369 1.2462 1.2462 1.2485 1.2485 2.7321 2.7321 2.8066 2.8066 3.8656 3.8656 3.9057 3.9057 4.1312 4.1312 4.3104 4.3104 4.4973 4.4973 4.6294 4.6294 4.9235 4.9235 4.9767 4.9767 8.8156 8.8156 8.8306 8.8306 8.8985 8.8985 8.9912 8.9912 9.4916 9.4916 k = 0.1738 1.0253 1.4960 ( 10260 PWs) bands (ev): -4.6884 -4.6884 -4.6855 -4.6855 -4.5742 -4.5742 -4.5703 -4.5703 -4.0470 -4.0470 -4.0468 -4.0468 0.9980 0.9980 1.0054 1.0054 1.3182 1.3182 1.3203 1.3203 2.7316 2.7316 2.8089 2.8089 3.8349 3.8349 3.8700 3.8700 4.1139 4.1139 4.3030 4.3030 4.5236 4.5236 4.6688 4.6688 4.9237 4.9237 4.9942 4.9942 8.7332 8.7332 8.7532 8.7532 8.8100 8.8100 8.9093 8.9093 9.3677 9.3678 k = 0.1668 0.9842 1.4960 ( 10256 PWs) bands (ev): -4.7107 -4.7107 -4.7076 -4.7076 -4.5883 -4.5883 -4.5842 -4.5842 -4.0443 -4.0443 -4.0441 -4.0441 1.0711 1.0711 1.0798 1.0798 1.3960 1.3960 1.3975 1.3975 2.7318 2.7318 2.8106 2.8106 3.8032 3.8032 3.8341 3.8341 4.0980 4.0980 4.2934 4.2934 4.5489 4.5489 4.7061 4.7061 4.9273 4.9273 5.0159 5.0159 8.6345 8.6345 8.6370 8.6370 8.7504 8.7504 8.8306 8.8306 9.2380 9.2380 k = 0.1599 0.9432 1.4960 ( 10242 PWs) bands (ev): -4.7333 -4.7333 -4.7301 -4.7301 -4.6033 -4.6033 -4.5990 -4.5990 -4.0416 -4.0416 -4.0414 -4.0414 1.1497 1.1497 1.1598 1.1598 1.4792 1.4792 1.4800 1.4800 2.7326 2.7326 2.8117 2.8117 3.7707 3.7707 3.7983 3.7983 4.0841 4.0841 4.2821 4.2821 4.5730 4.5730 4.7404 4.7404 4.9351 4.9351 5.0412 5.0412 8.5044 8.5044 8.5193 8.5193 8.6975 8.6975 8.7546 8.7546 9.1061 9.1061 k = 0.1529 0.9022 1.4960 ( 10226 PWs) bands (ev): -4.7562 -4.7562 -4.7529 -4.7529 -4.6189 -4.6189 -4.6145 -4.6145 -4.0388 -4.0388 -4.0386 -4.0386 1.2334 1.2334 1.2451 1.2451 1.5674 1.5674 1.5675 1.5675 2.7340 2.7340 2.8121 2.8121 3.7376 3.7376 3.7631 3.7631 4.0723 4.0723 4.2699 4.2699 4.5960 4.5960 4.7710 4.7710 4.9475 4.9475 5.0690 5.0690 8.3625 8.3625 8.3901 8.3901 8.6429 8.6429 8.6755 8.6755 8.9782 8.9785 k = 0.1460 0.8612 1.4960 ( 10226 PWs) bands (ev): -4.7792 -4.7792 -4.7758 -4.7758 -4.6351 -4.6351 -4.6306 -4.6306 -4.0361 -4.0361 -4.0360 -4.0360 1.3219 1.3219 1.3355 1.3355 1.6593 1.6593 1.6608 1.6608 2.7362 2.7362 2.8118 2.8118 3.7043 3.7043 3.7287 3.7287 4.0628 4.0628 4.2574 4.2574 4.6182 4.6182 4.7973 4.7973 4.9645 4.9645 5.0984 5.0984 8.2133 8.2133 8.2497 8.2497 8.5793 8.5793 8.5832 8.5832 8.8638 8.8638 k = 0.1390 0.8202 1.4960 ( 10238 PWs) bands (ev): -4.8020 -4.8020 -4.7986 -4.7986 -4.6516 -4.6516 -4.6471 -4.6471 -4.0334 -4.0334 -4.0333 -4.0333 1.4151 1.4151 1.4307 1.4307 1.7551 1.7551 1.7585 1.7585 2.7392 2.7392 2.8109 2.8109 3.6712 3.6712 3.6956 3.6956 4.0557 4.0557 4.2449 4.2449 4.6396 4.6396 4.8198 4.8198 4.9856 4.9856 5.1283 5.1283 8.0579 8.0579 8.1005 8.1005 8.4678 8.4678 8.4921 8.4921 8.7489 8.7489 k = 0.1321 0.7792 1.4960 ( 10234 PWs) bands (ev): -4.8246 -4.8246 -4.8212 -4.8212 -4.6684 -4.6684 -4.6639 -4.6639 -4.0308 -4.0308 -4.0307 -4.0307 1.5124 1.5124 1.5304 1.5304 1.8544 1.8544 1.8604 1.8604 2.7433 2.7433 2.8095 2.8095 3.6388 3.6388 3.6643 3.6643 4.0510 4.0510 4.2329 4.2329 4.6605 4.6605 4.8392 4.8392 5.0095 5.0095 5.1579 5.1579 7.8973 7.8973 7.9444 7.9444 8.3293 8.3293 8.3691 8.3691 8.6700 8.6700 k = 0.1251 0.7382 1.4960 ( 10232 PWs) bands (ev): -4.8469 -4.8469 -4.8434 -4.8434 -4.6851 -4.6851 -4.6807 -4.6807 -4.0283 -4.0283 -4.0282 -4.0282 1.6135 1.6135 1.6343 1.6343 1.9562 1.9562 1.9658 1.9658 2.7491 2.7491 2.8079 2.8079 3.6075 3.6075 3.6352 3.6352 4.0487 4.0487 4.2219 4.2219 4.6808 4.6808 4.8566 4.8566 5.0346 5.0346 5.1862 5.1862 7.7324 7.7324 7.7829 7.7829 8.1749 8.1749 8.2180 8.2180 8.6202 8.6202 k = 0.1182 0.6972 1.4960 ( 10240 PWs) bands (ev): -4.8686 -4.8686 -4.8652 -4.8652 -4.7018 -4.7018 -4.6974 -4.6974 -4.0258 -4.0258 -4.0258 -4.0258 1.7179 1.7179 1.7418 1.7418 2.0595 2.0595 2.0741 2.0741 2.7573 2.7573 2.8067 2.8067 3.5779 3.5779 3.6090 3.6090 4.0487 4.0487 4.2122 4.2122 4.7005 4.7005 4.8728 4.8728 5.0597 5.0597 5.2124 5.2124 7.5640 7.5640 7.6171 7.6171 8.0109 8.0109 8.0520 8.0520 8.5873 8.5873 k = 0.1112 0.6562 1.4960 ( 10252 PWs) bands (ev): -4.8897 -4.8897 -4.8863 -4.8863 -4.7182 -4.7182 -4.7139 -4.7139 -4.0235 -4.0235 -4.0234 -4.0234 1.8248 1.8248 1.8523 1.8523 2.1624 2.1624 2.1842 2.1842 2.7697 2.7697 2.8069 2.8069 3.5502 3.5502 3.5862 3.5862 4.0511 4.0511 4.2040 4.2040 4.7194 4.7194 4.8885 4.8885 5.0838 5.0838 5.2359 5.2359 7.3930 7.3930 7.4481 7.4481 7.8411 7.8411 7.8783 7.8783 8.5650 8.5650 k = 0.1043 0.6152 1.4960 ( 10252 PWs) bands (ev): -4.9100 -4.9100 -4.9067 -4.9067 -4.7343 -4.7343 -4.7301 -4.7301 -4.0212 -4.0212 -4.0212 -4.0212 1.9335 1.9335 1.9650 1.9650 2.2625 2.2625 2.2945 2.2945 2.7887 2.7887 2.8106 2.8106 3.5250 3.5250 3.5672 3.5672 4.0556 4.0556 4.1978 4.1978 4.7373 4.7373 4.9040 4.9040 5.1062 5.1062 5.2561 5.2561 7.2199 7.2199 7.2767 7.2767 7.6676 7.6676 7.7002 7.7002 8.5507 8.5507 k = 0.0973 0.5741 1.4960 ( 10244 PWs) bands (ev): -4.9295 -4.9295 -4.9263 -4.9263 -4.7498 -4.7498 -4.7458 -4.7458 -4.0191 -4.0191 -4.0190 -4.0190 2.0424 2.0424 2.0783 2.0783 2.3559 2.3559 2.4023 2.4023 2.8186 2.8186 2.8212 2.8212 3.5025 3.5025 3.5527 3.5527 4.0622 4.0622 4.1937 4.1937 4.7539 4.7539 4.9194 4.9194 5.1264 5.1264 5.2725 5.2725 7.0456 7.0456 7.1040 7.1040 7.4919 7.4919 7.5193 7.5193 8.5432 8.5432 k = 0.0904 0.5331 1.4960 ( 10252 PWs) bands (ev): -4.9480 -4.9480 -4.9450 -4.9450 -4.7648 -4.7648 -4.7610 -4.7610 -4.0170 -4.0170 -4.0170 -4.0170 2.1493 2.1493 2.1898 2.1898 2.4385 2.4385 2.5031 2.5031 2.8449 2.8449 2.8646 2.8646 3.4833 3.4833 3.5434 3.5434 4.0708 4.0708 4.1919 4.1919 4.7689 4.7689 4.9348 4.9348 5.1439 5.1439 5.2847 5.2847 6.8709 6.8709 6.9308 6.9308 7.3150 7.3150 7.3370 7.3370 8.5419 8.5419 k = 0.0834 0.4921 1.4960 ( 10260 PWs) bands (ev): -4.9655 -4.9655 -4.9626 -4.9626 -4.7790 -4.7790 -4.7754 -4.7754 -4.0151 -4.0151 -4.0151 -4.0151 2.2499 2.2499 2.2947 2.2947 2.5089 2.5089 2.5920 2.5920 2.8903 2.8903 2.9310 2.9310 3.4682 3.4682 3.5399 3.5399 4.0812 4.0812 4.1928 4.1928 4.7818 4.7818 4.9500 4.9500 5.1587 5.1587 5.2925 5.2925 6.6964 6.6964 6.7578 6.7578 7.1380 7.1380 7.1540 7.1540 8.5463 8.5463 k = 0.0765 0.4511 1.4960 ( 10260 PWs) bands (ev): -4.9819 -4.9819 -4.9792 -4.9792 -4.7925 -4.7925 -4.7890 -4.7890 -4.0134 -4.0134 -4.0134 -4.0134 2.3373 2.3373 2.3845 2.3845 2.5731 2.5731 2.6712 2.6712 2.9621 2.9621 3.0171 3.0171 3.4582 3.4582 3.5434 3.5434 4.0932 4.0932 4.1965 4.1965 4.7920 4.7920 4.9649 4.9649 5.1705 5.1705 5.2958 5.2958 6.5231 6.5231 6.5862 6.5862 6.9617 6.9617 6.9710 6.9710 8.5562 8.5562 k = 0.0695 0.4101 1.4960 ( 10268 PWs) bands (ev): -4.9971 -4.9971 -4.9945 -4.9945 -4.8050 -4.8050 -4.8018 -4.8018 -4.0118 -4.0118 -4.0117 -4.0117 2.4022 2.4022 2.4489 2.4489 2.6425 2.6425 2.7539 2.7539 3.0538 3.0538 3.1184 3.1184 3.4559 3.4559 3.5551 3.5551 4.1069 4.1069 4.2035 4.2035 4.7987 4.7987 4.9791 4.9791 5.1791 5.1791 5.2943 5.2943 6.3521 6.3521 6.4168 6.4168 6.7871 6.7871 6.7886 6.7886 8.5712 8.5712 k = 0.0626 0.3691 1.4960 ( 10272 PWs) bands (ev): -5.0110 -5.0110 -5.0086 -5.0086 -4.8165 -4.8165 -4.8136 -4.8136 -4.0103 -4.0103 -4.0102 -4.0102 2.4422 2.4422 2.4858 2.4858 2.7223 2.7223 2.8496 2.8496 3.1520 3.1520 3.2290 3.2290 3.4665 3.4665 3.5767 3.5767 4.1222 4.1222 4.2142 4.2142 4.8011 4.8011 4.9922 4.9922 5.1843 5.1843 5.2883 5.2883 6.1850 6.1850 6.2510 6.2510 6.6077 6.6077 6.6152 6.6152 8.5908 8.5909 k = 0.0556 0.3281 1.4960 ( 10280 PWs) bands (ev): -5.0236 -5.0236 -5.0214 -5.0214 -4.8270 -4.8270 -4.8244 -4.8244 -4.0089 -4.0089 -4.0089 -4.0089 2.4636 2.4636 2.5026 2.5026 2.8072 2.8072 2.9534 2.9534 3.2428 3.2428 3.3440 3.3440 3.4998 3.4998 3.6100 3.6100 4.1392 4.1392 4.2294 4.2294 4.7979 4.7979 5.0033 5.0033 5.1857 5.1857 5.2776 5.2776 6.0239 6.0239 6.0901 6.0901 6.4288 6.4288 6.4474 6.4474 8.6149 8.6150 k = 0.0487 0.2871 1.4960 ( 10268 PWs) bands (ev): -5.0348 -5.0348 -5.0329 -5.0329 -4.8364 -4.8364 -4.8341 -4.8341 -4.0077 -4.0077 -4.0077 -4.0077 2.4742 2.4742 2.5079 2.5079 2.8890 2.8890 3.0528 3.0528 3.3184 3.3184 3.4596 3.4596 3.5654 3.5654 3.6566 3.6566 4.1586 4.1586 4.2502 4.2502 4.7876 4.7876 5.0106 5.0106 5.1826 5.1826 5.2626 5.2626 5.8723 5.8723 5.9360 5.9360 6.2530 6.2530 6.2855 6.2855 8.6426 8.6427 k = 0.0417 0.2461 1.4960 ( 10276 PWs) bands (ev): -5.0445 -5.0445 -5.0429 -5.0429 -4.8447 -4.8447 -4.8426 -4.8426 -4.0067 -4.0067 -4.0067 -4.0067 2.4789 2.4789 2.5072 2.5072 2.9618 2.9618 3.1308 3.1308 3.3929 3.3929 3.5734 3.5734 3.6572 3.6572 3.7156 3.7156 4.1815 4.1815 4.2780 4.2780 4.7687 4.7687 5.0106 5.0106 5.1742 5.1742 5.2432 5.2432 5.7357 5.7357 5.7908 5.7908 6.0816 6.0816 6.1316 6.1316 8.6738 8.6742 k = 0.0348 0.2051 1.4960 ( 10276 PWs) bands (ev): -5.0529 -5.0529 -5.0515 -5.0515 -4.8517 -4.8517 -4.8500 -4.8500 -4.0058 -4.0058 -4.0058 -4.0058 2.4805 2.4805 2.5036 2.5036 3.0227 3.0227 3.1763 3.1763 3.4859 3.4859 3.6839 3.6839 3.7582 3.7582 3.7835 3.7835 4.2104 4.2104 4.3138 4.3138 4.7402 4.7402 4.9958 4.9958 5.1614 5.1614 5.2195 5.2195 5.6219 5.6219 5.6573 5.6573 5.9167 5.9167 5.9889 5.9889 8.7075 8.7079 k = 0.0278 0.1640 1.4960 ( 10276 PWs) bands (ev): -5.0597 -5.0597 -5.0586 -5.0586 -4.8574 -4.8574 -4.8560 -4.8560 -4.0051 -4.0051 -4.0051 -4.0051 2.4806 2.4806 2.4988 2.4988 3.0713 3.0713 3.1960 3.1960 3.5952 3.5952 3.7863 3.7863 3.8543 3.8543 3.8567 3.8567 4.2484 4.2484 4.3562 4.3562 4.7040 4.7040 4.9551 4.9551 5.1489 5.1489 5.1910 5.1910 5.5380 5.5380 5.5391 5.5391 5.7624 5.7624 5.8610 5.8610 8.7434 8.7435 k = 0.0209 0.1230 1.4960 ( 10276 PWs) bands (ev): -5.0650 -5.0650 -5.0641 -5.0641 -4.8619 -4.8619 -4.8609 -4.8609 -4.0045 -4.0045 -4.0045 -4.0045 2.4804 2.4804 2.4938 2.4938 3.1091 3.1091 3.2012 3.2012 3.7082 3.7082 3.8637 3.8637 3.9361 3.9361 3.9423 3.9423 4.2976 4.2976 4.3950 4.3950 4.6694 4.6694 4.8856 4.8856 5.1404 5.1404 5.1573 5.1573 5.4413 5.4413 5.4807 5.4807 5.6289 5.6289 5.7515 5.7515 8.7806 8.7817 k = 0.0139 0.0820 1.4960 ( 10268 PWs) bands (ev): -5.0687 -5.0687 -5.0682 -5.0682 -4.8650 -4.8650 -4.8644 -4.8644 -4.0041 -4.0041 -4.0041 -4.0041 2.4804 2.4804 2.4893 2.4893 3.1383 3.1383 3.1984 3.1984 3.8109 3.8109 3.9082 3.9082 4.0026 4.0026 4.0352 4.0352 4.3518 4.3518 4.4083 4.4083 4.6574 4.6574 4.8022 4.8022 5.1210 5.1210 5.1323 5.1323 5.3703 5.3703 5.4238 5.4238 5.5456 5.5456 5.6630 5.6630 8.8180 8.8187 k = 0.0070 0.0410 1.4960 ( 10274 PWs) bands (ev): -5.0709 -5.0709 -5.0707 -5.0707 -4.8669 -4.8669 -4.8665 -4.8665 -4.0039 -4.0039 -4.0039 -4.0039 2.4812 2.4812 2.4856 2.4856 3.1607 3.1607 3.1903 3.1903 3.8862 3.8862 3.9279 3.9279 4.0617 4.0617 4.1031 4.1031 4.3901 4.3901 4.3956 4.3956 4.6725 4.6725 4.7310 4.7310 5.0953 5.0953 5.1171 5.1171 5.3303 5.3303 5.3583 5.3583 5.5298 5.5298 5.5962 5.5962 8.8538 8.8561 k = 0.0000 0.0000 1.4960 ( 10274 PWs) bands (ev): -5.0716 -5.0716 -5.0716 -5.0716 -4.8674 -4.8674 -4.8674 -4.8674 -4.0038 -4.0038 -4.0038 -4.0038 2.4828 2.4828 2.4828 2.4828 3.1777 3.1777 3.1777 3.1777 3.9231 3.9231 3.9231 3.9231 4.1083 4.1083 4.1083 4.1083 4.3944 4.3944 4.3944 4.3944 4.6932 4.6932 4.6932 4.6932 5.0971 5.0971 5.0971 5.0971 5.3241 5.3241 5.3241 5.3241 5.5512 5.5512 5.5512 5.5512 8.8772 8.8772 k = 0.0000 0.0000 1.4960 ( 10274 PWs) bands (ev): -5.0716 -5.0716 -5.0716 -5.0716 -4.8674 -4.8674 -4.8674 -4.8674 -4.0038 -4.0038 -4.0038 -4.0038 2.4828 2.4828 2.4828 2.4828 3.1777 3.1777 3.1777 3.1777 3.9231 3.9231 3.9231 3.9231 4.1083 4.1083 4.1083 4.1083 4.3944 4.3944 4.3944 4.3944 4.6932 4.6932 4.6932 4.6932 5.0971 5.0971 5.0971 5.0971 5.3241 5.3241 5.3241 5.3241 5.5512 5.5512 5.5512 5.5512 8.8772 8.8772 k = 0.0000 0.0000 1.4545 ( 10268 PWs) bands (ev): -5.1536 -5.1536 -4.9880 -4.9880 -4.9462 -4.9462 -4.7871 -4.7871 -4.0266 -4.0266 -3.9823 -3.9823 2.4504 2.4504 2.5189 2.5189 3.1267 3.1267 3.2261 3.2261 3.8903 3.8903 3.9463 3.9463 4.0680 4.0680 4.1412 4.1412 4.3433 4.3433 4.4438 4.4438 4.6756 4.6756 4.7219 4.7219 5.0230 5.0230 5.1782 5.1782 5.3244 5.3244 5.3326 5.3326 5.4819 5.4819 5.6291 5.6291 8.8664 8.8670 k = 0.0000 0.0000 1.4129 ( 10272 PWs) bands (ev): -5.2340 -5.2340 -5.0236 -5.0236 -4.9027 -4.9027 -4.7053 -4.7053 -4.0507 -4.0507 -3.9623 -3.9623 2.4219 2.4219 2.5580 2.5580 3.0749 3.0749 3.2693 3.2693 3.8513 3.8513 3.9545 3.9545 4.0254 4.0254 4.1680 4.1680 4.2915 4.2915 4.4861 4.4861 4.6725 4.6725 4.7508 4.7508 4.9731 4.9731 5.2519 5.2519 5.3226 5.3226 5.3469 5.3469 5.4452 5.4452 5.7107 5.7107 8.8416 8.8417 k = 0.0000 0.0000 1.3714 ( 10272 PWs) bands (ev): -5.3126 -5.3126 -5.0993 -5.0993 -4.8161 -4.8161 -4.6224 -4.6224 -4.0759 -4.0759 -3.9438 -3.9438 2.3978 2.3978 2.5987 2.5987 3.0243 3.0243 3.3038 3.3038 3.8097 3.8097 3.9302 3.9302 4.0019 4.0019 4.1854 4.1854 4.2454 4.2454 4.5071 4.5071 4.6827 4.6827 4.7674 4.7674 4.9685 4.9685 5.2850 5.2850 5.3090 5.3090 5.3656 5.3656 5.4855 5.4855 5.7941 5.7941 8.8115 8.8115 k = 0.0000 0.0000 1.3298 ( 10260 PWs) bands (ev): -5.3894 -5.3894 -5.1733 -5.1733 -4.7282 -4.7282 -4.5382 -4.5382 -4.1021 -4.1021 -3.9268 -3.9268 2.3782 2.3782 2.6389 2.6389 2.9776 2.9776 3.3252 3.3252 3.7677 3.7677 3.8815 3.8815 3.9982 3.9982 4.1604 4.1604 4.2410 4.2410 4.4903 4.4903 4.7014 4.7014 4.7829 4.7829 5.0065 5.0065 5.2360 5.2360 5.3482 5.3482 5.3991 5.3991 5.5725 5.5725 5.8788 5.8788 8.7792 8.7793 k = 0.0000 0.0000 1.2883 ( 10262 PWs) bands (ev): -5.4643 -5.4643 -5.2455 -5.2455 -4.6390 -4.6390 -4.4529 -4.4529 -4.1291 -4.1291 -3.9114 -3.9114 2.3631 2.3631 2.6737 2.6737 2.9394 2.9394 3.3287 3.3287 3.7219 3.7219 3.8385 3.8385 3.9962 3.9962 4.1089 4.1089 4.2661 4.2661 4.4405 4.4405 4.7178 4.7178 4.8116 4.8116 5.0572 5.0572 5.2063 5.2063 5.3798 5.3798 5.4503 5.4503 5.6759 5.6759 5.9643 5.9643 8.7457 8.7458 k = 0.0000 0.0000 1.2467 ( 10262 PWs) bands (ev): -5.5372 -5.5372 -5.3160 -5.3160 -4.5487 -4.5487 -4.3667 -4.3667 -4.1570 -4.1570 -3.8976 -3.8976 2.3526 2.3526 2.6939 2.6939 2.9189 2.9189 3.3125 3.3125 3.6651 3.6651 3.8163 3.8163 3.9894 3.9894 4.0594 4.0594 4.2968 4.2968 4.3756 4.3756 4.7287 4.7287 4.8358 4.8358 5.0906 5.0906 5.2316 5.2316 5.4091 5.4091 5.5157 5.5157 5.7867 5.7867 6.0504 6.0504 8.7115 8.7116 k = 0.0000 0.0000 1.2051 ( 10263 PWs) bands (ev): -5.6082 -5.6082 -5.3845 -5.3845 -4.4574 -4.4574 -4.2796 -4.2796 -4.1854 -4.1854 -3.8855 -3.8855 2.3467 2.3467 2.6896 2.6896 2.9255 2.9255 3.2791 3.2791 3.5985 3.5985 3.8112 3.8112 3.9694 3.9694 4.0256 4.0256 4.3006 4.3006 4.3375 4.3375 4.7359 4.7359 4.8315 4.8315 5.1245 5.1245 5.3050 5.3050 5.4390 5.4390 5.5920 5.5920 5.9019 5.9019 6.1368 6.1368 8.6762 8.6764 k = 0.0000 0.0000 1.1636 ( 10269 PWs) bands (ev): -5.6772 -5.6772 -5.4512 -5.4512 -4.3654 -4.3654 -4.2145 -4.2145 -4.1916 -4.1916 -3.8749 -3.8749 2.3450 2.3450 2.6636 2.6636 2.9551 2.9551 3.2336 3.2336 3.5276 3.5276 3.8078 3.8078 3.9406 3.9406 4.0071 4.0071 4.2410 4.2410 4.3714 4.3714 4.7402 4.7402 4.8005 4.8005 5.1811 5.1811 5.3957 5.3957 5.4714 5.4714 5.6770 5.6770 6.0202 6.0202 6.2237 6.2237 8.6382 8.6385 k = 0.0000 0.0000 1.1220 ( 10271 PWs) bands (ev): -5.7440 -5.7440 -5.5159 -5.5159 -4.2743 -4.2743 -4.2421 -4.2421 -4.1034 -4.1034 -3.8658 -3.8658 2.3471 2.3471 2.6266 2.6266 2.9949 2.9949 3.1817 3.1817 3.4559 3.4559 3.7903 3.7903 3.9215 3.9215 3.9874 3.9874 4.1956 4.1956 4.4084 4.4084 4.7337 4.7337 4.7680 4.7680 5.2521 5.2521 5.4827 5.4827 5.5174 5.5174 5.7690 5.7690 6.1408 6.1408 6.3109 6.3109 8.5957 8.5960 k = 0.0000 0.0000 1.0805 ( 10265 PWs) bands (ev): -5.8088 -5.8088 -5.5786 -5.5786 -4.2744 -4.2744 -4.1785 -4.1785 -4.0146 -4.0146 -3.8579 -3.8579 2.3525 2.3525 2.5862 2.5862 3.0311 3.0311 3.1309 3.1309 3.3859 3.3859 3.7582 3.7582 3.9005 3.9005 3.9695 3.9695 4.1743 4.1743 4.4431 4.4431 4.6992 4.6992 4.7657 4.7657 5.3278 5.3278 5.5303 5.5303 5.6104 5.6104 5.8667 5.8667 6.2632 6.2632 6.3986 6.3986 8.5499 8.5500 k = 0.0000 0.0000 1.0389 ( 10251 PWs) bands (ev): -5.8713 -5.8713 -5.6392 -5.6392 -4.3038 -4.3038 -4.0860 -4.0860 -3.9257 -3.9257 -3.8509 -3.8509 2.3595 2.3595 2.5469 2.5469 3.0308 3.0308 3.1084 3.1084 3.3208 3.3208 3.7218 3.7218 3.8536 3.8536 3.9700 3.9700 4.1740 4.1740 4.4674 4.4674 4.6681 4.6681 4.7756 4.7756 5.4014 5.4014 5.5716 5.5716 5.7175 5.7175 5.9691 5.9691 6.3871 6.3871 6.4870 6.4870 8.5029 8.5030 k = 0.0000 0.0000 0.9974 ( 10263 PWs) bands (ev): -5.9317 -5.9317 -5.6977 -5.6977 -4.3334 -4.3334 -3.9948 -3.9948 -3.8452 -3.8452 -3.8350 -3.8350 2.3649 2.3649 2.5133 2.5133 2.9828 2.9828 3.1148 3.1148 3.2680 3.2680 3.6874 3.6874 3.7931 3.7931 3.9802 3.9802 4.1861 4.1861 4.4684 4.4684 4.6636 4.6636 4.7911 4.7911 5.4669 5.4669 5.6189 5.6189 5.8281 5.8281 6.0752 6.0752 6.5120 6.5120 6.5765 6.5765 8.4544 8.4544 k = 0.0000 0.0000 0.9558 ( 10255 PWs) bands (ev): -5.9899 -5.9899 -5.7541 -5.7541 -4.3628 -4.3628 -3.9120 -3.9120 -3.8295 -3.8295 -3.7472 -3.7472 2.3620 2.3620 2.4923 2.4923 2.9246 2.9246 3.0971 3.0971 3.2394 3.2394 3.6534 3.6534 3.7365 3.7365 3.9934 3.9934 4.2039 4.2039 4.4450 4.4450 4.6893 4.6893 4.8120 4.8120 5.5204 5.5204 5.6749 5.6749 5.9410 5.9410 6.1844 6.1844 6.6371 6.6371 6.6680 6.6680 8.4007 8.4007 k = 0.0000 0.0000 0.9143 ( 10273 PWs) bands (ev): -6.0458 -6.0458 -5.8083 -5.8083 -4.3921 -4.3921 -3.8677 -3.8677 -3.7778 -3.7778 -3.6586 -3.6586 2.3448 2.3448 2.4903 2.4903 2.8653 2.8653 3.0507 3.0507 3.2279 3.2279 3.6062 3.6062 3.7035 3.7035 4.0085 4.0085 4.2236 4.2236 4.4113 4.4113 4.7330 4.7330 4.8383 4.8383 5.5626 5.5626 5.7375 5.7375 6.0553 6.0553 6.2961 6.2961 6.7530 6.7530 6.7709 6.7709 8.3341 8.3341 k = 0.0000 0.0000 0.8727 ( 10285 PWs) bands (ev): -6.0994 -6.0994 -5.8603 -5.8603 -4.4209 -4.4209 -3.8580 -3.8580 -3.6931 -3.6931 -3.5705 -3.5705 2.3161 2.3161 2.5041 2.5041 2.8065 2.8065 2.9931 2.9931 3.2144 3.2144 3.5435 3.5435 3.6959 3.6959 4.0266 4.0266 4.2429 4.2429 4.3785 4.3785 4.7854 4.7854 4.8697 4.8697 5.5968 5.5968 5.8019 5.8019 6.1708 6.1708 6.4098 6.4098 6.8500 6.8500 6.8948 6.8948 8.2574 8.2574 k = 0.0000 0.0000 0.8311 ( 10289 PWs) bands (ev): -6.1507 -6.1507 -5.9101 -5.9101 -4.4491 -4.4491 -3.8562 -3.8562 -3.6022 -3.6022 -3.4831 -3.4831 2.2822 2.2822 2.5268 2.5268 2.7490 2.7490 2.9331 2.9331 3.1926 3.1926 3.4757 3.4757 3.6984 3.6984 4.0483 4.0483 4.2606 4.2606 4.3535 4.3535 4.8426 4.8426 4.9054 4.9054 5.6259 5.6259 5.8640 5.8640 6.2871 6.2871 6.5249 6.5249 6.9464 6.9464 7.0213 7.0213 8.1796 8.1796 k = 0.0000 0.0000 0.7896 ( 10291 PWs) bands (ev): -6.1996 -6.1996 -5.9576 -5.9576 -4.4768 -4.4768 -3.8570 -3.8570 -3.5104 -3.5104 -3.3968 -3.3968 2.2470 2.2470 2.5535 2.5535 2.6935 2.6935 2.8743 2.8743 3.1635 3.1635 3.4076 3.4076 3.7003 3.7003 4.0723 4.0723 4.2767 4.2767 4.3420 4.3420 4.9028 4.9028 4.9443 4.9443 5.6517 5.6517 5.9214 5.9214 6.4038 6.4038 6.6410 6.6410 7.0446 7.0446 7.1476 7.1476 8.1049 8.1049 k = 0.0000 0.0000 0.7480 ( 10295 PWs) bands (ev): -6.2462 -6.2462 -6.0028 -6.0028 -4.5037 -4.5037 -3.8593 -3.8593 -3.4191 -3.4191 -3.3117 -3.3117 2.2120 2.2120 2.5794 2.5794 2.6413 2.6413 2.8194 2.8194 3.1296 3.1296 3.3410 3.3410 3.6957 3.6957 4.0941 4.0941 4.2945 4.2945 4.3469 4.3469 4.9644 4.9644 4.9855 4.9855 5.6752 5.6752 5.9728 5.9728 6.5207 6.5207 6.7574 6.7574 7.1447 7.1447 7.2729 7.2729 8.0351 8.0351 k = 0.0000 0.0000 0.7065 ( 10305 PWs) bands (ev): -6.2903 -6.2903 -6.0457 -6.0457 -4.5297 -4.5297 -3.8627 -3.8627 -3.3289 -3.3289 -3.2283 -3.2283 2.1782 2.1782 2.5786 2.5786 2.6122 2.6122 2.7738 2.7738 3.0930 3.0930 3.2767 3.2767 3.6830 3.6830 4.1081 4.1081 4.3186 4.3186 4.3686 4.3686 5.0216 5.0216 5.0326 5.0326 5.6973 5.6973 6.0175 6.0175 6.6372 6.6372 6.8737 6.8737 7.2464 7.2464 7.3965 7.3965 7.9710 7.9710 k = 0.0000 0.0000 0.6649 ( 10323 PWs) bands (ev): -6.3321 -6.3321 -6.0863 -6.0863 -4.5548 -4.5548 -3.8669 -3.8669 -3.2401 -3.2401 -3.1467 -3.1467 2.1457 2.1457 2.5336 2.5336 2.6101 2.6101 2.7504 2.7504 3.0552 3.0552 3.2154 3.2154 3.6627 3.6627 4.1140 4.1140 4.3443 4.3443 4.4102 4.4102 5.0639 5.0639 5.0937 5.0937 5.7188 5.7188 6.0553 6.0553 6.7530 6.7530 6.9892 6.9892 7.3493 7.3493 7.5174 7.5174 7.9135 7.9135 k = 0.0000 0.0000 0.6234 ( 10315 PWs) bands (ev): -6.3714 -6.3714 -6.1245 -6.1245 -4.5788 -4.5788 -3.8717 -3.8717 -3.1534 -3.1534 -3.0674 -3.0674 2.1151 2.1151 2.4868 2.4868 2.5833 2.5833 2.7581 2.7581 3.0173 3.0173 3.1577 3.1577 3.6367 3.6367 4.1152 4.1152 4.3672 4.3672 4.4698 4.4698 5.1020 5.1020 5.1559 5.1559 5.7407 5.7407 6.0864 6.0864 6.8675 6.8675 7.1033 7.1033 7.4523 7.4523 7.6346 7.6346 7.8632 7.8632 k = 0.0000 0.0000 0.5818 ( 10323 PWs) bands (ev): -6.4083 -6.4083 -6.1604 -6.1604 -4.6017 -4.6017 -3.8769 -3.8769 -3.0690 -3.0690 -2.9906 -2.9906 2.0863 2.0863 2.4418 2.4418 2.5405 2.5405 2.7833 2.7833 2.9799 2.9799 3.1044 3.1044 3.6067 3.6067 4.1150 4.1150 4.3889 4.3889 4.5401 4.5401 5.1365 5.1365 5.2160 5.2160 5.7640 5.7640 6.1112 6.1112 6.9801 6.9801 7.2152 7.2152 7.5545 7.5545 7.7463 7.7463 7.8207 7.8207 k = 0.0000 0.0000 0.5402 ( 10315 PWs) bands (ev): -6.4427 -6.4427 -6.1938 -6.1938 -4.6234 -4.6234 -3.8823 -3.8823 -2.9874 -2.9874 -2.9168 -2.9168 2.0596 2.0596 2.3991 2.3991 2.4931 2.4931 2.8129 2.8129 2.9436 2.9436 3.0568 3.0568 3.5745 3.5745 4.1155 4.1155 4.4106 4.4106 4.6156 4.6156 5.1667 5.1667 5.2722 5.2722 5.7904 5.7904 6.1304 6.1304 7.0903 7.0903 7.3242 7.3242 7.6539 7.6539 7.7845 7.7845 7.8530 7.8530 k = 0.0000 0.0000 0.4987 ( 10331 PWs) bands (ev): -6.4746 -6.4746 -6.2249 -6.2249 -4.6438 -4.6438 -3.8880 -3.8880 -2.9090 -2.9090 -2.8462 -2.8462 2.0349 2.0349 2.3589 2.3589 2.4450 2.4450 2.8392 2.8392 2.9087 2.9087 3.0180 3.0180 3.5413 3.5413 4.1175 4.1175 4.4327 4.4327 4.6932 4.6932 5.1920 5.1920 5.3226 5.3226 5.8213 5.8213 6.1447 6.1447 7.1973 7.1973 7.4293 7.4293 7.7408 7.7408 7.7661 7.7661 7.9488 7.9488 k = 0.0000 0.0000 0.4571 ( 10339 PWs) bands (ev): -6.5040 -6.5040 -6.2535 -6.2535 -4.6628 -4.6628 -3.8936 -3.8936 -2.8343 -2.8343 -2.7793 -2.7793 2.0124 2.0124 2.3211 2.3211 2.3980 2.3980 2.8534 2.8534 2.8758 2.8758 2.9946 2.9946 3.5083 3.5083 4.1213 4.1213 4.4553 4.4553 4.7707 4.7707 5.2119 5.2119 5.3654 5.3654 5.8580 5.8580 6.1550 6.1550 7.3003 7.3003 7.5295 7.5295 7.7346 7.7346 7.8414 7.8414 8.0334 8.0334 k = 0.0000 0.0000 0.4156 ( 10335 PWs) bands (ev): -6.5309 -6.5309 -6.2797 -6.2797 -4.6803 -4.6803 -3.8992 -3.8992 -2.7638 -2.7638 -2.7165 -2.7165 1.9921 1.9921 2.2860 2.2860 2.3530 2.3530 2.8421 2.8421 2.8506 2.8506 2.9936 2.9936 3.4763 3.4763 4.1271 4.1271 4.4785 4.4785 4.8464 4.8464 5.2261 5.2261 5.3995 5.3995 5.9012 5.9012 6.1623 6.1623 7.3985 7.3985 7.6235 7.6235 7.7226 7.7226 7.9201 7.9201 8.1039 8.1039 k = 0.0000 0.0000 0.3740 ( 10335 PWs) bands (ev): -6.5553 -6.5553 -6.3034 -6.3034 -4.6964 -4.6964 -3.9046 -3.9046 -2.6979 -2.6979 -2.6581 -2.6581 1.9739 1.9739 2.2537 2.2537 2.3104 2.3104 2.8141 2.8141 2.8290 2.8290 3.0097 3.0097 3.4458 3.4458 4.1347 4.1347 4.5021 4.5021 4.9189 4.9189 5.2345 5.2345 5.4248 5.4248 5.9504 5.9504 6.1674 6.1674 7.4911 7.4911 7.6984 7.6984 7.7285 7.7285 7.9861 7.9861 8.1580 8.1580 k = 0.0000 0.0000 0.3325 ( 10329 PWs) bands (ev): -6.5771 -6.5771 -6.3246 -6.3246 -4.7110 -4.7110 -3.9096 -3.9096 -2.6372 -2.6372 -2.6045 -2.6045 1.9580 1.9580 2.2241 2.2241 2.2708 2.2708 2.7875 2.7875 2.8032 2.8032 3.0324 3.0324 3.4173 3.4173 4.1438 4.1438 4.5262 4.5262 4.9871 4.9871 5.2375 5.2375 5.4419 5.4419 6.0041 6.0041 6.1713 6.1713 7.5771 7.5771 7.7067 7.7067 7.7987 7.7987 8.0365 8.0365 8.1943 8.1943 k = 0.0000 0.0000 0.2909 ( 10305 PWs) bands (ev): -6.5964 -6.5964 -6.3434 -6.3434 -4.7239 -4.7239 -3.9143 -3.9143 -2.5822 -2.5822 -2.5562 -2.5562 1.9442 1.9442 2.1975 2.1975 2.2346 2.2346 2.7634 2.7634 2.7776 2.7776 3.0559 3.0559 3.3913 3.3913 4.1541 4.1541 4.5504 4.5504 5.0500 5.0500 5.2354 5.2354 5.4520 5.4520 6.0601 6.0601 6.1747 6.1747 7.6538 7.6538 7.7102 7.7102 7.8713 7.8713 8.0710 8.0710 8.2120 8.2120 k = 0.0000 0.0000 0.2493 ( 10303 PWs) bands (ev): -6.6131 -6.6131 -6.3597 -6.3597 -4.7352 -4.7352 -3.9186 -3.9186 -2.5332 -2.5332 -2.5134 -2.5134 1.9325 1.9325 2.1740 2.1740 2.2022 2.2022 2.7420 2.7420 2.7541 2.7541 3.0780 3.0780 3.3679 3.3679 4.1648 4.1648 4.5745 4.5745 5.1069 5.1069 5.2291 5.2291 5.4566 5.4566 6.1158 6.1158 6.1784 6.1784 7.6967 7.6967 7.7415 7.7415 7.9363 7.9363 8.0920 8.0920 8.2130 8.2130 k = 0.0000 0.0000 0.2078 ( 10297 PWs) bands (ev): -6.6273 -6.6273 -6.3735 -6.3735 -4.7448 -4.7448 -3.9223 -3.9223 -2.4909 -2.4909 -2.4766 -2.4766 1.9228 1.9228 2.1536 2.1536 2.1740 2.1740 2.7237 2.7237 2.7337 2.7337 3.0976 3.0976 3.3474 3.3474 4.1755 4.1755 4.5978 4.5978 5.1567 5.1567 5.2198 5.2198 5.4569 5.4569 6.1672 6.1672 6.1839 6.1839 7.7032 7.7032 7.8026 7.8026 7.9925 7.9925 8.1027 8.1027 8.2025 8.2025 k = 0.0000 0.0000 0.1662 ( 10295 PWs) bands (ev): -6.6389 -6.6389 -6.3848 -6.3848 -4.7527 -4.7527 -3.9254 -3.9254 -2.4557 -2.4557 -2.4461 -2.4461 1.9151 1.9151 2.1366 2.1366 2.1504 2.1504 2.7085 2.7085 2.7166 2.7166 3.1142 3.1142 3.3302 3.3302 4.1853 4.1853 4.6197 4.6197 5.1950 5.1950 5.2129 5.2129 5.4541 5.4541 6.1846 6.1846 6.2183 6.2183 7.7055 7.7055 7.8607 7.8607 8.0394 8.0394 8.1057 8.1057 8.1864 8.1864 k = 0.0000 0.0000 0.1247 ( 10275 PWs) bands (ev): -6.6479 -6.6479 -6.3936 -6.3936 -4.7589 -4.7589 -3.9278 -3.9278 -2.4278 -2.4278 -2.4220 -2.4220 1.9093 1.9093 2.1231 2.1231 2.1318 2.1318 2.6967 2.6967 2.7031 2.7031 3.1276 3.1276 3.3162 3.3162 4.1937 4.1937 4.6389 4.6389 5.1931 5.1931 5.2381 5.2381 5.4493 5.4493 6.1890 6.1890 6.2581 6.2581 7.7067 7.7067 7.9121 7.9121 8.0765 8.0765 8.1026 8.1026 8.1688 8.1688 k = 0.0000 0.0000 0.0831 ( 10275 PWs) bands (ev): -6.6544 -6.6544 -6.3999 -6.3999 -4.7633 -4.7633 -3.9296 -3.9296 -2.4076 -2.4076 -2.4047 -2.4047 1.9052 1.9052 2.1131 2.1131 2.1184 2.1184 2.6883 2.6883 2.6933 2.6933 3.1374 3.1374 3.3060 3.3060 4.2001 4.2001 4.6542 4.6542 5.1833 5.1833 5.2642 5.2642 5.4440 5.4440 6.1924 6.1924 6.2885 6.2885 7.7073 7.7073 7.9558 7.9558 8.0938 8.0938 8.1045 8.1045 8.1529 8.1529 k = 0.0000 0.0000 0.0416 ( 10271 PWs) bands (ev): -6.6582 -6.6582 -6.4036 -6.4036 -4.7660 -4.7660 -3.9307 -3.9307 -2.3954 -2.3954 -2.3943 -2.3943 1.9027 1.9027 2.1068 2.1068 2.1106 2.1106 2.6833 2.6833 2.6873 2.6873 3.1434 3.1434 3.2996 3.2996 4.2042 4.2042 4.6641 4.6641 5.1762 5.1762 5.2811 5.2811 5.4396 5.4396 6.1947 6.1947 6.3075 6.3075 7.7076 7.7076 7.9891 7.9891 8.0828 8.0828 8.1219 8.1219 8.1408 8.1408 k = 0.0000 0.0000 0.0000 ( 10249 PWs) bands (ev): -6.6595 -6.6595 -6.4049 -6.4049 -4.7669 -4.7669 -3.9311 -3.9311 -2.3911 -2.3911 -2.3910 -2.3910 1.9019 1.9019 2.1046 2.1046 2.1081 2.1081 2.6816 2.6816 2.6853 2.6853 3.1455 3.1455 3.2975 3.2975 4.2055 4.2055 4.6675 4.6675 5.1737 5.1737 5.2870 5.2870 5.4378 5.4378 6.1955 6.1955 6.3140 6.3140 7.7076 7.7076 8.0033 8.0033 8.0761 8.0761 8.1320 8.1320 8.1324 8.1324 k = 0.0000 0.0000 0.0000 ( 10249 PWs) bands (ev): -6.6595 -6.6595 -6.4049 -6.4049 -4.7669 -4.7669 -3.9311 -3.9311 -2.3911 -2.3911 -2.3910 -2.3910 1.9019 1.9019 2.1046 2.1046 2.1081 2.1081 2.6816 2.6816 2.6853 2.6853 3.1455 3.1455 3.2975 3.2975 4.2055 4.2055 4.6675 4.6675 5.1737 5.1737 5.2870 5.2870 5.4378 5.4378 6.1955 6.1955 6.3140 6.3140 7.7076 7.7076 8.0033 8.0033 8.0761 8.0761 8.1320 8.1320 8.1324 8.1324 k =-0.0385 0.0065-0.0000 ( 10269 PWs) bands (ev): -6.6593 -6.6593 -6.4052 -6.4052 -4.7667 -4.7667 -3.9312 -3.9312 -2.3911 -2.3911 -2.3910 -2.3910 1.9026 1.9026 2.1046 2.1046 2.1081 2.1081 2.6816 2.6816 2.6853 2.6853 3.1137 3.1137 3.3321 3.3321 4.2059 4.2059 4.6675 4.6675 5.1737 5.1737 5.2870 5.2870 5.4360 5.4360 6.1910 6.1910 6.3139 6.3139 7.7098 7.7098 8.0020 8.0020 8.0553 8.0553 8.1324 8.1324 8.1529 8.1529 k =-0.0769 0.0130-0.0000 ( 10287 PWs) bands (ev): -6.6588 -6.6588 -6.4059 -6.4059 -4.7661 -4.7661 -3.9315 -3.9315 -2.3911 -2.3911 -2.3910 -2.3910 1.9045 1.9045 2.1046 2.1046 2.1080 2.1080 2.6815 2.6815 2.6852 2.6852 3.0534 3.0534 3.4010 3.4010 4.2069 4.2069 4.6676 4.6676 5.1738 5.1738 5.2869 5.2869 5.4303 5.4303 6.1781 6.1781 6.3139 6.3139 7.7162 7.7162 7.9970 7.9970 8.0213 8.0213 8.1350 8.1350 8.1854 8.1854 k =-0.1154 0.0196-0.0000 ( 10273 PWs) bands (ev): -6.6579 -6.6579 -6.4072 -6.4072 -4.7651 -4.7651 -3.9321 -3.9321 -2.3911 -2.3911 -2.3910 -2.3910 1.9076 1.9076 2.1046 2.1046 2.1080 2.1080 2.6814 2.6814 2.6852 2.6852 2.9893 2.9893 3.4791 3.4791 4.2087 4.2087 4.6676 4.6676 5.1739 5.1739 5.2868 5.2868 5.4206 5.4206 6.1576 6.1576 6.3138 6.3138 7.7263 7.7263 7.9771 7.9771 8.0000 8.0000 8.1391 8.1391 8.2163 8.2163 k =-0.1538 0.0261-0.0000 ( 10269 PWs) bands (ev): -6.6568 -6.6568 -6.4088 -6.4088 -4.7638 -4.7638 -3.9328 -3.9328 -2.3911 -2.3911 -2.3910 -2.3910 1.9118 1.9118 2.1047 2.1047 2.1080 2.1080 2.6811 2.6811 2.6852 2.6852 2.9270 2.9270 3.5604 3.5604 4.2115 4.2115 4.6676 4.6676 5.1740 5.1740 5.2866 5.2866 5.4066 5.4066 6.1311 6.1311 6.3137 6.3137 7.7389 7.7389 7.9456 7.9456 7.9922 7.9922 8.1442 8.1442 8.2418 8.2418 k =-0.1923 0.0326-0.0000 ( 10281 PWs) bands (ev): -6.6554 -6.6554 -6.4107 -6.4107 -4.7623 -4.7623 -3.9337 -3.9337 -2.3911 -2.3911 -2.3910 -2.3910 1.9170 1.9170 2.1047 2.1047 2.1080 2.1080 2.6805 2.6805 2.6852 2.6852 2.8687 2.8687 3.6419 3.6419 4.2157 4.2157 4.6676 4.6676 5.1741 5.1741 5.2864 5.2864 5.3880 5.3880 6.1004 6.1004 6.3136 6.3136 7.7518 7.7518 7.9186 7.9186 7.9854 7.9854 8.1500 8.1500 8.2601 8.2601 k =-0.2308 0.0391-0.0000 ( 10311 PWs) bands (ev): -6.6539 -6.6539 -6.4129 -6.4129 -4.7606 -4.7606 -3.9347 -3.9347 -2.3911 -2.3911 -2.3910 -2.3910 1.9229 1.9229 2.1047 2.1047 2.1080 2.1080 2.6794 2.6794 2.6853 2.6853 2.8154 2.8154 3.7217 3.7217 4.2215 4.2215 4.6676 4.6676 5.1742 5.1742 5.2862 5.2862 5.3647 5.3647 6.0678 6.0678 6.3134 6.3134 7.7607 7.7607 7.9025 7.9025 7.9789 7.9789 8.1561 8.1561 8.2698 8.2698 k =-0.2692 0.0456-0.0000 ( 10300 PWs) bands (ev): -6.6523 -6.6523 -6.4152 -6.4152 -4.7589 -4.7589 -3.9357 -3.9357 -2.3911 -2.3911 -2.3910 -2.3910 1.9293 1.9293 2.1047 2.1047 2.1080 2.1080 2.6773 2.6773 2.6854 2.6854 2.7685 2.7685 3.7972 3.7972 4.2298 4.2298 4.6677 4.6677 5.1742 5.1742 5.2858 5.2858 5.3369 5.3369 6.0356 6.0356 6.3133 6.3133 7.7606 7.7606 7.9023 7.9023 7.9728 7.9728 8.1622 8.1622 8.2699 8.2699 k =-0.3077 0.0522-0.0000 ( 10298 PWs) bands (ev): -6.6507 -6.6507 -6.4174 -6.4174 -4.7572 -4.7572 -3.9367 -3.9367 -2.3911 -2.3911 -2.3910 -2.3910 1.9359 1.9359 2.1047 2.1047 2.1080 2.1080 2.6726 2.6726 2.6856 2.6856 2.7302 2.7302 3.8657 3.8657 4.2413 4.2413 4.6677 4.6677 5.1742 5.1742 5.2845 5.2845 5.3063 5.3063 6.0057 6.0057 6.3131 6.3131 7.7516 7.7516 7.9179 7.9179 7.9678 7.9678 8.1678 8.1678 8.2607 8.2607 k =-0.3462 0.0587-0.0000 ( 10290 PWs) bands (ev): -6.6492 -6.6492 -6.4194 -6.4194 -4.7557 -4.7557 -3.9376 -3.9376 -2.3911 -2.3911 -2.3910 -2.3910 1.9422 1.9422 2.1047 2.1047 2.1080 2.1080 2.6612 2.6612 2.6858 2.6858 2.7052 2.7052 3.9241 3.9241 4.2566 4.2566 4.6677 4.6677 5.1741 5.1741 5.2679 5.2679 5.2889 5.2889 5.9798 5.9798 6.3130 6.3130 7.7386 7.7386 7.9413 7.9413 7.9667 7.9667 8.1727 8.1727 8.2429 8.2429 k =-0.3846 0.0652-0.0000 ( 10298 PWs) bands (ev): -6.6479 -6.6479 -6.4212 -6.4212 -4.7544 -4.7544 -3.9384 -3.9384 -2.3911 -2.3911 -2.3910 -2.3910 1.9477 1.9477 2.1047 2.1047 2.1080 2.1080 2.6425 2.6425 2.6859 2.6859 2.6946 2.6946 3.9695 3.9695 4.2750 4.2750 4.6678 4.6678 5.1740 5.1740 5.2361 5.2361 5.2875 5.2875 5.9590 5.9590 6.3129 6.3129 7.7259 7.7259 7.9517 7.9517 7.9860 7.9860 8.1762 8.1762 8.2183 8.2183 k =-0.4231 0.0717-0.0000 ( 10300 PWs) bands (ev): -6.6470 -6.6470 -6.4225 -6.4225 -4.7534 -4.7534 -3.9390 -3.9390 -2.3911 -2.3911 -2.3910 -2.3910 1.9522 1.9522 2.1046 2.1046 2.1080 2.1080 2.6250 2.6250 2.6861 2.6861 2.6908 2.6908 4.0010 4.0010 4.2939 4.2939 4.6678 4.6678 5.1736 5.1736 5.2081 5.2081 5.2873 5.2873 5.9439 5.9439 6.3128 6.3128 7.7158 7.7158 7.9509 7.9509 8.0207 8.0207 8.1741 8.1741 8.1927 8.1927 k =-0.4615 0.0782-0.0000 ( 10294 PWs) bands (ev): -6.6463 -6.6463 -6.4234 -6.4234 -4.7528 -4.7528 -3.9393 -3.9393 -2.3911 -2.3911 -2.3910 -2.3910 1.9550 1.9550 2.1046 2.1046 2.1080 2.1080 2.6134 2.6134 2.6863 2.6863 2.6892 2.6892 4.0189 4.0189 4.3085 4.3085 4.6678 4.6678 5.1726 5.1726 5.1895 5.1895 5.2872 5.2872 5.9347 5.9347 6.3128 6.3128 7.7094 7.7094 7.9496 7.9496 8.0566 8.0566 8.1497 8.1497 8.1861 8.1861 k =-0.5000 0.0847-0.0000 ( 10290 PWs) bands (ev): -6.6461 -6.6461 -6.4236 -6.4236 -4.7526 -4.7526 -3.9394 -3.9394 -2.3911 -2.3911 -2.3910 -2.3910 1.9560 1.9560 2.1046 2.1046 2.1080 2.1080 2.6095 2.6095 2.6863 2.6863 2.6888 2.6888 4.0247 4.0247 4.3140 4.3140 4.6678 4.6678 5.1716 5.1716 5.1836 5.1836 5.2872 5.2872 5.9317 5.9317 6.3127 6.3127 7.7073 7.7073 7.9491 7.9491 8.0785 8.0785 8.1296 8.1296 8.1860 8.1860 k =-0.5000 0.0847-0.0000 ( 10290 PWs) bands (ev): -6.6461 -6.6461 -6.4236 -6.4236 -4.7526 -4.7526 -3.9394 -3.9394 -2.3911 -2.3911 -2.3910 -2.3910 1.9560 1.9560 2.1046 2.1046 2.1080 2.1080 2.6095 2.6095 2.6863 2.6863 2.6888 2.6888 4.0247 4.0247 4.3140 4.3140 4.6678 4.6678 5.1716 5.1716 5.1836 5.1836 5.2872 5.2872 5.9317 5.9317 6.3127 6.3127 7.7073 7.7073 7.9491 7.9491 8.0785 8.0785 8.1296 8.1296 8.1860 8.1860 k =-0.4931 0.1257-0.0000 ( 10292 PWs) bands (ev): -6.6449 -6.6449 -6.4224 -6.4224 -4.7517 -4.7517 -3.9391 -3.9391 -2.3954 -2.3954 -2.3942 -2.3942 1.9563 1.9563 2.1071 2.1071 2.1100 2.1100 2.6073 2.6073 2.6845 2.6845 2.6983 2.6983 4.0233 4.0233 4.3122 4.3122 4.6615 4.6615 5.1759 5.1759 5.1804 5.1804 5.2888 5.2888 5.9303 5.9303 6.3066 6.3066 7.7072 7.7072 7.9430 7.9430 8.0707 8.0707 8.1324 8.1324 8.1885 8.1885 k =-0.4861 0.1666-0.0000 ( 10290 PWs) bands (ev): -6.6410 -6.6410 -6.4186 -6.4186 -4.7491 -4.7491 -3.9379 -3.9379 -2.4076 -2.4076 -2.4046 -2.4046 1.9572 1.9572 2.1131 2.1131 2.1175 2.1175 2.6025 2.6025 2.6882 2.6882 2.7163 2.7163 4.0190 4.0190 4.3066 4.3066 4.6440 4.6440 5.1699 5.1699 5.1879 5.1879 5.2941 5.2941 5.9265 5.9265 6.2886 6.2886 7.7070 7.7070 7.9249 7.9249 8.0498 8.0498 8.1398 8.1398 8.1940 8.1940 k =-0.4792 0.2075-0.0000 ( 10286 PWs) bands (ev): -6.6346 -6.6346 -6.4122 -6.4122 -4.7448 -4.7448 -3.9361 -3.9361 -2.4277 -2.4277 -2.4219 -2.4219 1.9587 1.9587 2.1215 2.1215 2.1313 2.1313 2.5975 2.5975 2.6972 2.6972 2.7403 2.7403 4.0113 4.0113 4.2976 4.2976 4.6186 4.6186 5.1533 5.1533 5.2016 5.2016 5.3042 5.3042 5.9207 5.9207 6.2598 6.2598 7.7064 7.7064 7.8953 7.8953 8.0194 8.0194 8.1491 8.1491 8.2001 8.2001 k =-0.4722 0.2485 0.0000 ( 10294 PWs) bands (ev): -6.6257 -6.6257 -6.4034 -6.4034 -4.7387 -4.7387 -3.9335 -3.9335 -2.4555 -2.4555 -2.4459 -2.4459 1.9610 1.9610 2.1329 2.1329 2.1506 2.1506 2.5943 2.5943 2.7106 2.7106 2.7690 2.7690 3.9995 3.9995 4.2855 4.2855 4.5892 4.5892 5.1301 5.1301 5.2122 5.2122 5.3198 5.3198 5.9140 5.9140 6.2218 6.2218 7.7052 7.7052 7.8545 7.8545 7.9819 7.9819 8.1558 8.1558 8.2067 8.2067 k =-0.4653 0.2894 0.0000 ( 10302 PWs) bands (ev): -6.6142 -6.6142 -6.3920 -6.3920 -4.7309 -4.7309 -3.9303 -3.9303 -2.4907 -2.4907 -2.4765 -2.4765 1.9638 1.9638 2.1473 2.1473 2.1749 2.1749 2.5936 2.5936 2.7284 2.7284 2.8017 2.8017 3.9829 3.9829 4.2712 4.2712 4.5587 4.5587 5.1006 5.1006 5.2169 5.2169 5.3392 5.3392 5.9071 5.9071 6.1770 6.1770 7.7032 7.7032 7.8034 7.8034 7.9379 7.9379 8.1553 8.1553 8.2136 8.2136 k =-0.4584 0.3303 0.0000 ( 10302 PWs) bands (ev): -6.6002 -6.6002 -6.3780 -6.3780 -4.7215 -4.7215 -3.9264 -3.9264 -2.5330 -2.5330 -2.5132 -2.5132 1.9672 1.9672 2.1649 2.1649 2.2039 2.2039 2.5959 2.5959 2.7503 2.7503 2.8380 2.8380 3.9607 3.9607 4.2555 4.2555 4.5293 4.5293 5.0651 5.0651 5.2158 5.2158 5.3588 5.3588 5.9008 5.9008 6.1279 6.1279 7.6997 7.6997 7.7432 7.7432 7.8872 7.8872 8.1466 8.1466 8.2137 8.2137 k =-0.4514 0.3713 0.0000 ( 10300 PWs) bands (ev): -6.5836 -6.5836 -6.3616 -6.3616 -4.7104 -4.7104 -3.9220 -3.9220 -2.5818 -2.5818 -2.5559 -2.5559 1.9712 1.9712 2.1854 2.1854 2.2371 2.2371 2.6014 2.6014 2.7762 2.7762 2.8776 2.8776 3.9328 3.9328 4.2392 4.2392 4.5020 4.5020 5.0241 5.0241 5.2096 5.2096 5.3744 5.3744 5.8953 5.8953 6.0774 6.0774 7.6671 7.6671 7.7020 7.7020 7.8301 7.8301 8.1301 8.1301 8.1920 8.1920 k =-0.4445 0.4122 0.0000 ( 10300 PWs) bands (ev): -6.5645 -6.5645 -6.3427 -6.3427 -4.6977 -4.6977 -3.9171 -3.9171 -2.6367 -2.6367 -2.6041 -2.6041 1.9757 1.9757 2.2090 2.2090 2.2742 2.2742 2.6101 2.6101 2.8061 2.8061 2.9200 2.9200 3.8995 3.8995 4.2224 4.2224 4.4769 4.4769 4.9788 4.9788 5.1989 5.1989 5.3827 5.3827 5.8895 5.8895 6.0293 6.0293 7.5895 7.5895 7.6944 7.6944 7.7693 7.7693 8.1042 8.1042 8.1435 8.1435 k =-0.4376 0.4531 0.0000 ( 10308 PWs) bands (ev): -6.5428 -6.5428 -6.3212 -6.3212 -4.6834 -4.6834 -3.9119 -3.9119 -2.6973 -2.6973 -2.6576 -2.6576 1.9805 1.9805 2.2355 2.2355 2.3148 2.3148 2.6222 2.6222 2.8400 2.8400 2.9650 2.9650 3.8618 3.8618 4.2049 4.2049 4.4538 4.4538 4.9305 4.9305 5.1835 5.1835 5.3814 5.3814 5.8804 5.8804 5.9889 5.9889 7.5025 7.5025 7.6640 7.6640 7.7279 7.7279 8.0574 8.0574 8.0868 8.0868 k =-0.4306 0.4941 0.0000 ( 10320 PWs) bands (ev): -6.5187 -6.5187 -6.2973 -6.2973 -4.6676 -4.6676 -3.9062 -3.9062 -2.7631 -2.7631 -2.7159 -2.7159 1.9855 1.9855 2.2649 2.2649 2.3586 2.3586 2.6375 2.6375 2.8778 2.8778 3.0123 3.0123 3.8212 3.8212 4.1856 4.1856 4.4320 4.4320 4.8815 4.8815 5.1635 5.1635 5.3688 5.3688 5.8635 5.8635 5.9619 5.9619 7.4082 7.4082 7.5922 7.5922 7.7249 7.7249 7.9798 7.9798 8.0364 8.0364 k =-0.4237 0.5350 0.0000 ( 10330 PWs) bands (ev): -6.4920 -6.4920 -6.2709 -6.2709 -4.6504 -4.6504 -3.9004 -3.9004 -2.8335 -2.8335 -2.7786 -2.7786 1.9907 1.9907 2.2971 2.2971 2.4052 2.4052 2.6560 2.6560 2.9193 2.9193 3.0617 3.0617 3.7792 3.7792 4.1633 4.1633 4.4107 4.4107 4.8342 4.8342 5.1386 5.1386 5.3446 5.3446 5.8389 5.8389 5.9484 5.9484 7.3077 7.3077 7.5056 7.5056 7.7353 7.7353 7.8878 7.8878 7.9781 7.9781 k =-0.4167 0.5759 0.0000 ( 10312 PWs) bands (ev): -6.4629 -6.4629 -6.2421 -6.2421 -4.6317 -4.6317 -3.8945 -3.8945 -2.9081 -2.9081 -2.8454 -2.8454 1.9959 1.9959 2.3320 2.3320 2.4543 2.4543 2.6776 2.6776 2.9644 2.9644 3.1129 3.1129 3.7374 3.7374 4.1363 4.1363 4.3889 4.3889 4.7914 4.7914 5.1087 5.1087 5.3094 5.3094 5.8122 5.8122 5.9420 5.9420 7.2019 7.2019 7.4116 7.4116 7.7522 7.7522 7.7882 7.7882 7.9092 7.9092 k =-0.4098 0.6169 0.0000 ( 10300 PWs) bands (ev): -6.4313 -6.4313 -6.2108 -6.2108 -4.6117 -4.6117 -3.8886 -3.8886 -2.9863 -2.9863 -2.9159 -2.9159 2.0010 2.0010 2.3696 2.3696 2.5057 2.5057 2.7024 2.7024 3.0128 3.0128 3.1655 3.1655 3.6972 3.6972 4.1031 4.1031 4.3657 4.3657 4.7559 4.7559 5.0739 5.0739 5.2649 5.2649 5.7869 5.7869 5.9370 5.9370 7.0917 7.0917 7.3121 7.3121 7.6780 7.6780 7.7778 7.7778 7.8341 7.8341 k =-0.4029 0.6578 0.0000 ( 10308 PWs) bands (ev): -6.3972 -6.3972 -6.1771 -6.1771 -4.5904 -4.5904 -3.8828 -3.8828 -3.0678 -3.0678 -2.9896 -2.9896 2.0059 2.0059 2.4097 2.4097 2.5592 2.5592 2.7302 2.7302 3.0643 3.0643 3.2191 3.2191 3.6597 3.6597 4.0627 4.0627 4.3410 4.3410 4.7294 4.7294 5.0341 5.0341 5.2133 5.2133 5.7639 5.7639 5.9301 5.9301 6.9779 6.9779 7.2084 7.2084 7.5655 7.5655 7.7385 7.7385 7.8218 7.8218 k =-0.3959 0.6987 0.0000 ( 10314 PWs) bands (ev): -6.3606 -6.3606 -6.1410 -6.1410 -4.5679 -4.5679 -3.8773 -3.8773 -3.1521 -3.1521 -3.0663 -3.0663 2.0106 2.0106 2.4523 2.4523 2.6144 2.6144 2.7611 2.7611 3.1182 3.1182 3.2733 3.2733 3.6264 3.6264 4.0146 4.0146 4.3153 4.3153 4.7126 4.7126 4.9900 4.9900 5.1569 5.1569 5.7424 5.7424 5.9197 5.9197 6.8613 6.8613 7.1013 7.1013 7.4486 7.4486 7.6500 7.6500 7.8620 7.8620 k =-0.3890 0.7397 0.0000 ( 10320 PWs) bands (ev): -6.3216 -6.3216 -6.1025 -6.1025 -4.5442 -4.5442 -3.8722 -3.8722 -3.2387 -3.2387 -3.1455 -3.1455 2.0150 2.0150 2.4973 2.4973 2.6713 2.6713 2.7949 2.7949 3.1738 3.1738 3.3273 3.3273 3.5985 3.5985 3.9594 3.9594 4.2895 4.2895 4.7045 4.7045 4.9419 4.9419 5.0978 5.0978 5.7211 5.7211 5.9046 5.9046 6.7426 6.7426 6.9918 6.9918 7.3288 7.3288 7.5568 7.5568 7.9116 7.9116 k =-0.3821 0.7806 0.0000 ( 10318 PWs) bands (ev): -6.2802 -6.2802 -6.0616 -6.0616 -4.5196 -4.5196 -3.8677 -3.8677 -3.3273 -3.3273 -3.2269 -3.2269 2.0191 2.0191 2.5446 2.5446 2.7293 2.7293 2.8318 2.8318 3.2297 3.2297 3.3803 3.3803 3.5774 3.5774 3.8992 3.8992 4.2646 4.2646 4.7031 4.7031 4.8908 4.8908 5.0380 5.0380 5.6990 5.6990 5.8842 5.8842 6.6226 6.6226 6.8803 6.8803 7.2069 7.2069 7.4617 7.4617 7.9686 7.9686 k =-0.3751 0.8215 0.0000 ( 10328 PWs) bands (ev): -6.2364 -6.2364 -6.0184 -6.0184 -4.4940 -4.4940 -3.8639 -3.8639 -3.4175 -3.4175 -3.3102 -3.3102 2.0231 2.0231 2.5941 2.5941 2.7882 2.7882 2.8719 2.8719 3.2834 3.2834 3.4310 3.4310 3.5647 3.5647 3.8376 3.8376 4.2411 4.2411 4.7050 4.7050 4.8380 4.8380 4.9798 4.9798 5.6750 5.6750 5.8585 5.8585 6.5020 6.5020 6.7676 6.7676 7.0837 7.0837 7.3661 7.3661 8.0324 8.0324 k =-0.3682 0.8625 0.0000 ( 10320 PWs) bands (ev): -6.1902 -6.1902 -5.9729 -5.9729 -4.4675 -4.4675 -3.8613 -3.8613 -3.5087 -3.5087 -3.3952 -3.3952 2.0270 2.0270 2.6456 2.6456 2.8468 2.8468 2.9159 2.9159 3.3303 3.3303 3.4784 3.4784 3.5598 3.5598 3.7823 3.7823 4.2194 4.2194 4.7038 4.7038 4.7866 4.7866 4.9270 4.9270 5.6480 5.6480 5.8277 5.8277 6.3813 6.3813 6.6541 6.6541 6.9598 6.9598 7.2705 7.2705 8.1021 8.1021 k =-0.3612 0.9034 0.0000 ( 10326 PWs) bands (ev): -6.1416 -6.1416 -5.9251 -5.9251 -4.4403 -4.4403 -3.8600 -3.8600 -3.6004 -3.6004 -3.4814 -3.4814 2.0309 2.0309 2.6989 2.6989 2.9036 2.9036 2.9649 2.9649 3.3653 3.3653 3.5184 3.5184 3.5580 3.5580 3.7489 3.7489 4.1997 4.1997 4.6849 4.6849 4.7438 4.7438 4.8868 4.8868 5.6168 5.6168 5.7923 5.7923 6.2614 6.2614 6.5404 6.5404 6.8359 6.8359 7.1754 7.1754 8.1770 8.1770 k =-0.3543 0.9443 0.0000 ( 10322 PWs) bands (ev): -6.0907 -6.0907 -5.8750 -5.8750 -4.4124 -4.4124 -3.8614 -3.8614 -3.6913 -3.6913 -3.5687 -3.5687 2.0352 2.0352 2.7539 2.7539 2.9566 2.9566 3.0199 3.0199 3.3870 3.3870 3.5032 3.5032 3.5941 3.5941 3.7528 3.7528 4.1821 4.1821 4.6409 4.6409 4.7080 4.7080 4.8691 4.8691 5.5804 5.5804 5.7535 5.7535 6.1430 6.1430 6.4268 6.4268 6.7125 6.7125 7.0810 7.0810 8.2561 8.2561 k =-0.3474 0.9853 0.0000 ( 10308 PWs) bands (ev): -6.0375 -6.0375 -5.8227 -5.8227 -4.3841 -4.3841 -3.8702 -3.8702 -3.7764 -3.7764 -3.6567 -3.6567 2.0401 2.0401 2.8103 2.8103 3.0048 3.0048 3.0806 3.0806 3.3991 3.3991 3.4523 3.4523 3.6546 3.6546 3.7861 3.7861 4.1670 4.1670 4.5865 4.5865 4.6647 4.6647 4.8739 4.8739 5.5375 5.5375 5.7121 5.7121 6.0272 6.0272 6.3137 6.3137 6.5902 6.5902 6.9875 6.9875 8.3376 8.3376 k =-0.3404 1.0262 0.0000 ( 10298 PWs) bands (ev): -5.9820 -5.9820 -5.7682 -5.7682 -4.3553 -4.3553 -3.9116 -3.9116 -3.8305 -3.8305 -3.7452 -3.7452 2.0458 2.0458 2.8676 2.8676 3.0468 3.0468 3.1452 3.1452 3.3809 3.3809 3.4222 3.4222 3.7213 3.7213 3.8333 3.8333 4.1548 4.1548 4.5301 4.5301 4.6153 4.6153 4.8920 4.8920 5.4873 5.4873 5.6686 5.6686 5.9156 5.9156 6.2017 6.2017 6.4694 6.4694 6.8946 6.8946 8.4186 8.4186 k =-0.3335 1.0671 0.0000 ( 10290 PWs) bands (ev): -5.9243 -5.9243 -5.7115 -5.7115 -4.3262 -4.3262 -3.9931 -3.9931 -3.8467 -3.8467 -3.8333 -3.8333 2.0529 2.0529 2.9250 2.9250 3.0782 3.0782 3.2106 3.2106 3.3317 3.3317 3.4325 3.4325 3.7898 3.7898 3.8862 3.8862 4.1468 4.1468 4.4747 4.4747 4.5642 4.5642 4.9167 4.9167 5.4299 5.4299 5.6218 5.6218 5.8111 5.8111 6.0911 6.0911 6.3510 6.3510 6.8023 6.8023 8.4922 8.4922 k =-0.3266 1.1081 0.0000 ( 10276 PWs) bands (ev): -5.8643 -5.8643 -5.6527 -5.6527 -4.2971 -4.2971 -4.0839 -4.0839 -3.9235 -3.9235 -3.8529 -3.8529 2.0615 2.0615 2.9801 2.9801 3.0888 3.0888 3.2636 3.2636 3.3136 3.3136 3.4508 3.4508 3.8564 3.8564 3.9406 3.9406 4.1451 4.1451 4.4225 4.4225 4.5139 4.5139 4.9440 4.9440 5.3662 5.3662 5.5674 5.5674 5.7188 5.7188 5.9823 5.9823 6.2355 6.2355 6.7103 6.7103 8.5478 8.5478 k =-0.3196 1.1490 0.0000 ( 10280 PWs) bands (ev): -5.8021 -5.8021 -5.5918 -5.5918 -4.2681 -4.2681 -4.1762 -4.1762 -4.0123 -4.0123 -3.8597 -3.8597 2.0721 2.0721 3.0165 3.0165 3.0837 3.0837 3.2802 3.2802 3.3624 3.3624 3.4773 3.4773 3.9162 3.9162 3.9924 3.9924 4.1548 4.1548 4.3760 4.3760 4.4657 4.4657 4.9706 4.9706 5.2981 5.2981 5.5004 5.5004 5.6444 5.6444 5.8761 5.8761 6.1243 6.1243 6.6187 6.6187 8.5871 8.5871 k =-0.3127 1.1899 0.0000 ( 10270 PWs) bands (ev): -5.7378 -5.7378 -5.5289 -5.5289 -4.2718 -4.2718 -4.2364 -4.2364 -4.1010 -4.1010 -3.8673 -3.8673 2.0851 2.0851 2.9885 2.9885 3.1181 3.1181 3.2997 3.2997 3.4250 3.4250 3.5160 3.5160 3.9617 3.9617 4.0376 4.0376 4.1824 4.1824 4.3395 4.3395 4.4201 4.4201 4.9922 4.9922 5.2290 5.2290 5.4231 5.4231 5.5867 5.5867 5.7730 5.7730 6.0189 6.0189 6.5271 6.5271 8.6217 8.6217 k =-0.3057 1.2309 0.0000 ( 10268 PWs) bands (ev): -5.6713 -5.6713 -5.4639 -5.4639 -4.3630 -4.3630 -4.2091 -4.2091 -4.1890 -4.1890 -3.8761 -3.8761 2.1007 2.1007 2.9322 2.9322 3.1686 3.1686 3.3228 3.3228 3.4839 3.4839 3.5697 3.5697 3.9871 3.9871 4.0742 4.0742 4.2259 4.2259 4.3222 4.3222 4.3779 4.3779 4.9999 4.9999 5.1653 5.1653 5.3452 5.3452 5.5375 5.5375 5.6740 5.6740 5.9218 5.9218 6.4357 6.4357 8.6560 8.6560 k =-0.2988 1.2718 0.0000 ( 10272 PWs) bands (ev): -5.6028 -5.6028 -5.3970 -5.3970 -4.4548 -4.4548 -4.2771 -4.2771 -4.1802 -4.1802 -3.8865 -3.8865 2.1192 2.1192 2.8707 2.8707 3.2153 3.2153 3.3468 3.3468 3.5388 3.5388 3.6362 3.6362 3.9954 3.9954 4.0994 4.0994 4.2629 4.2629 4.3371 4.3371 4.3476 4.3476 4.9787 4.9787 5.1173 5.1173 5.2771 5.2771 5.4904 5.4904 5.5801 5.5801 5.8368 5.8368 6.3444 6.3444 8.6908 8.6908 k =-0.2919 1.3127 0.0000 ( 10269 PWs) bands (ev): -5.5322 -5.5322 -5.3282 -5.3282 -4.5460 -4.5460 -4.3641 -4.3641 -4.1521 -4.1521 -3.8984 -3.8984 2.1409 2.1409 2.8092 2.8092 3.2487 3.2487 3.3760 3.3760 3.5928 3.5928 3.7097 3.7097 3.9946 3.9946 4.1097 4.1097 4.2833 4.2833 4.3103 4.3103 4.4072 4.4072 4.9268 4.9268 5.0803 5.0803 5.2266 5.2266 5.4435 5.4435 5.4922 5.4922 5.7688 5.7688 6.2532 6.2532 8.7261 8.7261 k =-0.2849 1.3537 0.0000 ( 10269 PWs) bands (ev): -5.4597 -5.4597 -5.2575 -5.2575 -4.6362 -4.6362 -4.4503 -4.4503 -4.1246 -4.1246 -3.9119 -3.9119 2.1660 2.1660 2.7496 2.7496 3.2625 3.2625 3.4152 3.4152 3.6466 3.6466 3.7862 3.7862 3.9898 3.9898 4.1093 4.1093 4.2691 4.2691 4.3229 4.3229 4.4803 4.4803 4.8633 4.8633 5.0399 5.0399 5.1887 5.1887 5.3957 5.3957 5.4155 5.4155 5.7219 5.7219 6.1624 6.1624 8.7617 8.7617 k =-0.2780 1.3946 0.0000 ( 10277 PWs) bands (ev): -5.3852 -5.3852 -5.1851 -5.1851 -4.7254 -4.7254 -4.5355 -4.5355 -4.0978 -4.0978 -3.9271 -3.9271 2.1946 2.1946 2.6929 2.6929 3.2580 3.2580 3.4619 3.4619 3.6990 3.6990 3.8633 3.8633 3.9836 3.9836 4.1044 4.1044 4.2465 4.2465 4.3484 4.3484 4.5498 4.5498 4.8048 4.8048 5.0001 5.0001 5.1477 5.1477 5.3238 5.3238 5.3796 5.3796 5.6977 5.6977 6.0721 6.0721 8.7971 8.7971 k =-0.2711 1.4355 0.0000 ( 10285 PWs) bands (ev): -5.3088 -5.3088 -5.1109 -5.1109 -4.8133 -4.8133 -4.6196 -4.6196 -4.0719 -4.0719 -3.9439 -3.9439 2.2269 2.2269 2.6396 2.6396 3.2401 3.2401 3.5112 3.5112 3.7478 3.7478 3.9380 3.9380 3.9762 3.9762 4.0985 4.0985 4.2296 4.2296 4.3681 4.3681 4.5963 4.5963 4.7711 4.7711 4.9689 4.9689 5.1016 5.1016 5.2494 5.2494 5.3638 5.3638 5.6945 5.6945 5.9831 5.9831 8.8314 8.8314 k =-0.2641 1.4765 0.0000 ( 10289 PWs) bands (ev): -5.2306 -5.2306 -5.0350 -5.0350 -4.8998 -4.8998 -4.7026 -4.7026 -4.0469 -4.0469 -3.9622 -3.9622 2.2629 2.2629 2.5903 2.5903 3.2122 3.2122 3.5595 3.5595 3.7896 3.7896 3.9645 3.9645 4.0066 4.0066 4.0965 4.0965 4.2196 4.2196 4.3791 4.3791 4.5962 4.5962 4.7808 4.7808 4.9446 4.9446 5.0675 5.0675 5.1850 5.1850 5.3552 5.3552 5.7084 5.7084 5.8965 5.8965 8.8615 8.8626 k =-0.2572 1.5174 0.0000 ( 10283 PWs) bands (ev): -5.1506 -5.1506 -4.9849 -4.9849 -4.9576 -4.9576 -4.7842 -4.7842 -4.0231 -4.0231 -3.9821 -3.9821 2.3026 2.3026 2.5452 2.5452 3.1768 3.1768 3.6043 3.6043 3.8192 3.8192 3.9487 3.9487 4.0525 4.0525 4.1103 4.1103 4.2174 4.2174 4.3832 4.3832 4.5703 4.5703 4.8005 4.8005 4.9190 4.9190 5.0685 5.0685 5.1431 5.1431 5.3500 5.3500 5.7295 5.7295 5.8188 5.8188 8.8423 8.8423 k =-0.2572 1.5174 0.0000 ( 10283 PWs) bands (ev): -5.1506 -5.1506 -4.9849 -4.9849 -4.9576 -4.9576 -4.7842 -4.7842 -4.0231 -4.0231 -3.9821 -3.9821 2.3026 2.3026 2.5452 2.5452 3.1768 3.1768 3.6043 3.6043 3.8192 3.8192 3.9487 3.9487 4.0525 4.0525 4.1103 4.1103 4.2174 4.2174 4.3832 4.3832 4.5703 4.5703 4.8005 4.8005 4.9190 4.9190 5.0685 5.0685 5.1431 5.1431 5.3500 5.3500 5.7295 5.7295 5.8188 5.8188 8.8423 8.8423 k =-0.2572 1.5174 0.0416 ( 10280 PWs) bands (ev): -5.1498 -5.1498 -4.9842 -4.9842 -4.9569 -4.9569 -4.7836 -4.7836 -4.0232 -4.0232 -3.9822 -3.9822 2.3038 2.3038 2.5453 2.5453 3.1751 3.1751 3.5920 3.5920 3.8124 3.8124 3.9256 3.9256 4.0283 4.0283 4.0847 4.0847 4.2122 4.2122 4.4179 4.4179 4.5583 4.5583 4.8136 4.8136 4.8869 4.8869 5.0794 5.0794 5.2080 5.2080 5.3609 5.3609 5.7241 5.7241 5.8399 5.8399 8.8402 8.8403 k =-0.2572 1.5174 0.0831 ( 10288 PWs) bands (ev): -5.1474 -5.1474 -4.9820 -4.9820 -4.9547 -4.9547 -4.7818 -4.7818 -4.0233 -4.0233 -3.9825 -3.9825 2.3072 2.3072 2.5454 2.5454 3.1694 3.1694 3.5566 3.5566 3.7868 3.7868 3.8578 3.8578 3.9596 3.9596 4.0478 4.0478 4.2079 4.2079 4.4696 4.4696 4.5234 4.5234 4.8032 4.8032 4.9072 4.9072 5.1104 5.1104 5.3304 5.3304 5.3990 5.3990 5.7182 5.7182 5.8937 5.8937 8.8169 8.8170 k =-0.2572 1.5174 0.1247 ( 10298 PWs) bands (ev): -5.1433 -5.1433 -4.9783 -4.9783 -4.9511 -4.9511 -4.7787 -4.7787 -4.0236 -4.0236 -3.9830 -3.9830 2.3127 2.3127 2.5453 2.5453 3.1576 3.1576 3.5023 3.5023 3.7290 3.7290 3.7603 3.7603 3.8770 3.8770 4.0182 4.0182 4.2095 4.2095 4.4708 4.4708 4.4797 4.4797 4.8130 4.8130 4.9872 4.9872 5.1425 5.1425 5.4374 5.4374 5.4987 5.4987 5.7225 5.7225 5.9718 5.9718 8.7723 8.7723 k =-0.2572 1.5174 0.1662 ( 10278 PWs) bands (ev): -5.1375 -5.1375 -4.9732 -4.9732 -4.9461 -4.9461 -4.7745 -4.7745 -4.0240 -4.0240 -3.9838 -3.9838 2.3204 2.3204 2.5443 2.5443 3.1352 3.1352 3.4346 3.4346 3.6207 3.6207 3.6733 3.6733 3.7847 3.7847 4.0044 4.0044 4.2059 4.2059 4.4155 4.4155 4.4507 4.4507 4.8689 4.8689 5.0730 5.0730 5.1685 5.1685 5.5295 5.5295 5.6474 5.6474 5.7458 5.7458 6.0708 6.0708 8.7254 8.7254 k =-0.2572 1.5174 0.2078 ( 10279 PWs) bands (ev): -5.1302 -5.1302 -4.9667 -4.9667 -4.9398 -4.9398 -4.7690 -4.7690 -4.0245 -4.0245 -3.9847 -3.9847 2.3299 2.3299 2.5417 2.5417 3.0960 3.0960 3.3585 3.3585 3.4975 3.4975 3.5832 3.5832 3.6881 3.6881 4.0006 4.0006 4.1892 4.1892 4.3516 4.3516 4.4345 4.4345 4.9322 4.9322 5.1431 5.1431 5.1949 5.1949 5.6397 5.6397 5.7650 5.7650 5.8345 5.8345 6.1882 6.1882 8.6793 8.6793 k =-0.2572 1.5174 0.2493 ( 10281 PWs) bands (ev): -5.1213 -5.1213 -4.9587 -4.9587 -4.9320 -4.9320 -4.7625 -4.7625 -4.0252 -4.0252 -3.9859 -3.9859 2.3409 2.3409 2.5357 2.5357 3.0349 3.0349 3.2703 3.2703 3.3821 3.3821 3.4858 3.4858 3.5970 3.5970 4.0005 4.0005 4.1594 4.1594 4.2946 4.2946 4.4337 4.4337 4.9824 4.9824 5.1805 5.1805 5.2332 5.2332 5.7649 5.7649 5.8444 5.8444 5.9981 5.9981 6.3204 6.3204 8.6356 8.6356 k =-0.2572 1.5174 0.2909 ( 10273 PWs) bands (ev): -5.1109 -5.1109 -4.9495 -4.9495 -4.9230 -4.9230 -4.7548 -4.7548 -4.0259 -4.0259 -3.9872 -3.9872 2.3529 2.3529 2.5237 2.5237 2.9550 2.9550 3.1594 3.1594 3.2814 3.2814 3.3832 3.3832 3.5251 3.5251 4.0001 4.0001 4.1216 4.1216 4.2505 4.2505 4.4427 4.4427 5.0145 5.0145 5.1995 5.1995 5.2672 5.2672 5.8959 5.8959 5.9549 5.9549 6.1726 6.1726 6.4642 6.4642 8.5954 8.5954 k =-0.2572 1.5174 0.3325 ( 10269 PWs) bands (ev): -5.0990 -5.0990 -4.9389 -4.9389 -4.9126 -4.9126 -4.7461 -4.7461 -4.0268 -4.0268 -3.9887 -3.9887 2.3653 2.3653 2.5013 2.5013 2.8662 2.8662 3.0328 3.0328 3.1821 3.1821 3.2755 3.2755 3.4822 3.4822 3.9954 3.9954 4.0835 4.0835 4.2195 4.2195 4.4566 4.4566 5.0307 5.0307 5.2130 5.2130 5.2856 5.2856 6.0300 6.0300 6.0967 6.0967 6.3515 6.3515 6.6168 6.6168 8.5596 8.5596 k =-0.2572 1.5174 0.3740 ( 10271 PWs) bands (ev): -5.0856 -5.0856 -4.9270 -4.9270 -4.9011 -4.9011 -4.7365 -4.7365 -4.0277 -4.0277 -3.9905 -3.9905 2.3762 2.3762 2.4628 2.4628 2.7785 2.7785 2.9025 2.9025 3.0787 3.0787 3.1643 3.1643 3.4640 3.4640 3.9803 3.9803 4.0554 4.0554 4.1987 4.1987 4.4725 4.4725 5.0353 5.0353 5.2220 5.2220 5.2909 5.2909 6.1739 6.1739 6.2546 6.2546 6.5332 6.5332 6.7758 6.7758 8.5287 8.5287 k =-0.2572 1.5174 0.4156 ( 10269 PWs) bands (ev): -5.0708 -5.0708 -4.9140 -4.9140 -4.8883 -4.8883 -4.7259 -4.7259 -4.0288 -4.0288 -3.9924 -3.9924 2.3740 2.3740 2.4126 2.4126 2.6929 2.6929 2.7779 2.7779 2.9772 2.9772 3.0538 3.0538 3.4615 3.4615 3.9519 3.9519 4.0430 4.0430 4.1854 4.1854 4.4889 4.4889 5.0317 5.0317 5.2258 5.2258 5.2872 5.2872 6.3277 6.3277 6.4199 6.4199 6.7169 6.7169 6.9396 6.9396 8.5033 8.5033 k =-0.2572 1.5174 0.4571 ( 10259 PWs) bands (ev): -5.0546 -5.0546 -4.8998 -4.8998 -4.8745 -4.8745 -4.7145 -4.7145 -4.0300 -4.0300 -3.9945 -3.9945 2.3062 2.3062 2.4010 2.4010 2.5926 2.5926 2.6729 2.6729 2.8847 2.8847 2.9519 2.9519 3.4685 3.4685 3.9176 3.9176 4.0406 4.0406 4.1777 4.1777 4.5051 4.5051 5.0222 5.0222 5.2236 5.2236 5.2778 5.2778 6.4889 6.4889 6.5894 6.5894 6.9020 6.9020 7.1067 7.1067 8.4837 8.4837 k =-0.2572 1.5174 0.4987 ( 10259 PWs) bands (ev): -5.0372 -5.0372 -4.8845 -4.8845 -4.8596 -4.8596 -4.7023 -4.7023 -4.0313 -4.0313 -3.9967 -3.9967 2.2083 2.2083 2.3931 2.3931 2.4728 2.4728 2.5831 2.5831 2.8001 2.8001 2.8742 2.8742 3.4817 3.4817 3.8834 3.8834 4.0433 4.0433 4.1740 4.1740 4.5206 4.5206 5.0082 5.0082 5.2149 5.2149 5.2655 5.2655 6.6552 6.6552 6.7612 6.7612 7.0878 7.0878 7.2758 7.2758 8.4702 8.4702 k =-0.2572 1.5174 0.5402 ( 10255 PWs) bands (ev): -5.0185 -5.0185 -4.8682 -4.8682 -4.8438 -4.8438 -4.6895 -4.6895 -4.0327 -4.0327 -3.9992 -3.9992 2.1013 2.1013 2.3424 2.3424 2.3679 2.3679 2.4947 2.4947 2.7237 2.7237 2.8293 2.8293 3.4990 3.4990 3.8516 3.8516 4.0497 4.0497 4.1731 4.1731 4.5353 4.5353 4.9908 4.9908 5.1998 5.1998 5.2514 5.2514 6.8246 6.8246 6.9339 6.9339 7.2739 7.2739 7.4462 7.4462 8.4629 8.4629 k =-0.2572 1.5174 0.5818 ( 10249 PWs) bands (ev): -4.9987 -4.9987 -4.8511 -4.8511 -4.8271 -4.8271 -4.6761 -4.6761 -4.0342 -4.0342 -4.0018 -4.0018 1.9909 1.9909 2.2191 2.2191 2.3005 2.3005 2.4075 2.4075 2.6712 2.6712 2.8057 2.8057 3.5192 3.5192 3.8233 3.8233 4.0596 4.0596 4.1743 4.1743 4.5490 4.5490 4.9706 4.9706 5.1793 5.1793 5.2358 5.2358 6.9957 6.9957 7.1067 7.1067 7.4596 7.4596 7.6167 7.6167 8.4619 8.4619 k =-0.2572 1.5174 0.6234 ( 10245 PWs) bands (ev): -4.9778 -4.9778 -4.8331 -4.8331 -4.8097 -4.8097 -4.6623 -4.6623 -4.0358 -4.0358 -4.0045 -4.0045 1.8800 1.8800 2.0959 2.0959 2.2077 2.2077 2.3152 2.3152 2.6479 2.6479 2.7933 2.7933 3.5412 3.5412 3.7993 3.7993 4.0727 4.0727 4.1769 4.1769 4.5616 4.5616 4.9481 4.9481 5.1546 5.1546 5.2184 5.2184 7.1674 7.1674 7.2787 7.2787 7.6444 7.6444 7.7866 7.7866 8.4674 8.4674 k =-0.2572 1.5174 0.6649 ( 10240 PWs) bands (ev): -4.9560 -4.9560 -4.8144 -4.8144 -4.7916 -4.7916 -4.6482 -4.6482 -4.0375 -4.0375 -4.0074 -4.0074 1.7705 1.7705 1.9755 1.9755 2.1044 2.1044 2.2152 2.2152 2.6441 2.6441 2.7868 2.7868 3.5640 3.5640 3.7805 3.7805 4.0889 4.0889 4.1806 4.1806 4.5732 4.5732 4.9238 4.9238 5.1269 5.1269 5.1991 5.1991 7.3387 7.3387 7.4491 7.4491 7.8274 7.8274 7.9547 7.9547 8.4797 8.4797 k =-0.2572 1.5174 0.7065 ( 10238 PWs) bands (ev): -4.9333 -4.9333 -4.7951 -4.7951 -4.7730 -4.7730 -4.6339 -4.6339 -4.0392 -4.0392 -4.0104 -4.0104 1.6634 1.6634 1.8586 1.8586 1.9985 1.9985 2.1111 2.1111 2.6499 2.6499 2.7838 2.7838 3.5860 3.5860 3.7683 3.7683 4.1078 4.1078 4.1853 4.1853 4.5834 4.5834 4.8982 4.8982 5.0968 5.0968 5.1780 5.1780 7.5087 7.5087 7.6171 7.6171 8.0078 8.0078 8.1197 8.1197 8.4998 8.4998 k =-0.2572 1.5174 0.7480 ( 10237 PWs) bands (ev): -4.9099 -4.9099 -4.7754 -4.7754 -4.7539 -4.7539 -4.6195 -4.6195 -4.0411 -4.0411 -4.0136 -4.0136 1.5595 1.5595 1.7455 1.7455 1.8936 1.8936 2.0063 2.0063 2.6599 2.6599 2.7829 2.7829 3.6055 3.6055 3.7642 3.7642 4.1289 4.1289 4.1907 4.1907 4.5922 4.5922 4.8718 4.8718 5.0652 5.0652 5.1555 5.1555 7.6765 7.6765 7.7819 7.7819 8.1841 8.1841 8.2785 8.2785 8.5304 8.5304 k =-0.2572 1.5174 0.7896 ( 10239 PWs) bands (ev): -4.8858 -4.8858 -4.7553 -4.7553 -4.7346 -4.7346 -4.6052 -4.6052 -4.0430 -4.0430 -4.0168 -4.0168 1.4593 1.4593 1.6365 1.6365 1.7913 1.7913 1.9028 1.9028 2.6710 2.6710 2.7835 2.7835 3.6208 3.6208 3.7698 3.7698 4.1513 4.1513 4.1973 4.1973 4.5989 4.5989 4.8451 4.8451 5.0325 5.0325 5.1322 5.1322 7.8414 7.8414 7.9426 7.9426 8.3523 8.3523 8.4231 8.4231 8.5815 8.5815 k =-0.2572 1.5174 0.8311 ( 10242 PWs) bands (ev): -4.8613 -4.8613 -4.7350 -4.7350 -4.7151 -4.7151 -4.5912 -4.5912 -4.0450 -4.0450 -4.0201 -4.0201 1.3634 1.3634 1.5319 1.5319 1.6925 1.6925 1.8018 1.8018 2.6820 2.6820 2.7851 2.7851 3.6317 3.6317 3.7850 3.7850 4.1734 4.1734 4.2056 4.2056 4.6030 4.6030 4.8186 4.8186 4.9996 4.9996 5.1088 5.1088 8.0024 8.0024 8.0985 8.0985 8.4880 8.4880 8.5518 8.5518 8.6771 8.6771 k =-0.2572 1.5174 0.8727 ( 10235 PWs) bands (ev): -4.8363 -4.8363 -4.7146 -4.7146 -4.6956 -4.6956 -4.5775 -4.5775 -4.0470 -4.0470 -4.0236 -4.0236 1.2721 1.2721 1.4319 1.4319 1.5978 1.5978 1.7042 1.7042 2.6918 2.6918 2.7875 2.7875 3.6401 3.6401 3.8081 3.8081 4.1922 4.1922 4.2180 4.2180 4.6034 4.6034 4.7928 4.7928 4.9675 4.9675 5.0858 5.0858 8.1587 8.1587 8.2487 8.2487 8.5598 8.5598 8.6985 8.6985 8.8118 8.8118 k =-0.2572 1.5174 0.9143 ( 10247 PWs) bands (ev): -4.8112 -4.8112 -4.6944 -4.6944 -4.6762 -4.6762 -4.5645 -4.5645 -4.0491 -4.0491 -4.0270 -4.0270 1.1857 1.1857 1.3368 1.3368 1.5077 1.5077 1.6105 1.6105 2.7002 2.7002 2.7903 2.7903 3.6482 3.6482 3.8363 3.8363 4.2052 4.2052 4.2361 4.2361 4.5988 4.5988 4.7682 4.7682 4.9377 4.9377 5.0641 5.0641 8.3092 8.3092 8.3920 8.3920 8.6117 8.6117 8.8437 8.8437 8.9575 8.9575 k =-0.2572 1.5174 0.9558 ( 10254 PWs) bands (ev): -4.7859 -4.7859 -4.6743 -4.6743 -4.6572 -4.6572 -4.5521 -4.5521 -4.0512 -4.0512 -4.0305 -4.0305 1.1044 1.1044 1.2466 1.2466 1.4226 1.4226 1.5211 1.5211 2.7072 2.7072 2.7933 2.7933 3.6578 3.6578 3.8675 3.8675 4.2149 4.2149 4.2564 4.2564 4.5882 4.5882 4.7445 4.7445 4.9121 4.9121 5.0442 5.0442 8.4530 8.4530 8.5272 8.5272 8.6618 8.6618 8.9747 8.9747 9.1009 9.1009 k =-0.2572 1.5174 0.9974 ( 10250 PWs) bands (ev): -4.7608 -4.7608 -4.6548 -4.6548 -4.6387 -4.6387 -4.5407 -4.5407 -4.0533 -4.0533 -4.0340 -4.0340 1.0287 1.0287 1.1617 1.1617 1.3429 1.3429 1.4365 1.4365 2.7130 2.7130 2.7959 2.7959 3.6700 3.6700 3.9004 3.9004 4.2238 4.2238 4.2757 4.2757 4.5709 4.5709 4.7207 4.7207 4.8927 4.8927 5.0268 5.0268 8.5887 8.5887 8.6506 8.6506 8.7167 8.7167 9.0821 9.0821 9.2076 9.2076 k =-0.2572 1.5174 1.0389 ( 10246 PWs) bands (ev): -4.7359 -4.7359 -4.6357 -4.6357 -4.6208 -4.6208 -4.5303 -4.5303 -4.0554 -4.0554 -4.0375 -4.0375 0.9586 0.9586 1.0821 1.0821 1.2689 1.2689 1.3570 1.3570 2.7179 2.7179 2.7979 2.7979 3.6853 3.6853 3.9339 3.9339 4.2326 4.2326 4.2922 4.2922 4.5473 4.5473 4.6956 4.6956 4.8810 4.8810 5.0123 5.0123 8.7126 8.7126 8.7463 8.7463 8.7955 8.7955 9.1586 9.1586 9.2875 9.2875 k =-0.2572 1.5174 1.0805 ( 10258 PWs) bands (ev): -4.7113 -4.7113 -4.6175 -4.6175 -4.6037 -4.6037 -4.5211 -4.5211 -4.0574 -4.0574 -4.0410 -4.0410 0.8944 0.8944 1.0082 1.0082 1.2007 1.2007 1.2828 1.2828 2.7222 2.7222 2.7991 2.7991 3.7039 3.7039 3.9673 3.9673 4.2418 4.2418 4.3047 4.3047 4.5187 4.5187 4.6688 4.6688 4.8767 4.8767 5.0009 5.0009 8.7958 8.7958 8.8412 8.8412 8.8981 8.8981 9.2105 9.2105 9.3682 9.3682 k =-0.2572 1.5174 1.1220 ( 10261 PWs) bands (ev): -4.6874 -4.6874 -4.6002 -4.6002 -4.5876 -4.5876 -4.5134 -4.5134 -4.0593 -4.0593 -4.0444 -4.0444 0.8364 0.8364 0.9400 0.9400 1.1387 1.1387 1.2142 1.2142 2.7261 2.7261 2.7993 2.7993 3.7258 3.7258 4.0000 4.0000 4.2513 4.2513 4.3125 4.3125 4.4865 4.4865 4.6408 4.6408 4.8786 4.8786 4.9928 4.9928 8.8523 8.8523 8.9466 8.9466 8.9975 8.9975 9.2474 9.2474 9.4414 9.4414 k =-0.2572 1.5174 1.1636 ( 10257 PWs) bands (ev): -4.6643 -4.6643 -4.5840 -4.5840 -4.5727 -4.5727 -4.5071 -4.5071 -4.0611 -4.0611 -4.0477 -4.0477 0.7846 0.7846 0.8778 0.8778 1.0832 1.0832 1.1516 1.1516 2.7300 2.7300 2.7985 2.7985 3.7509 3.7509 4.0316 4.0316 4.2610 4.2610 4.3150 4.3150 4.4523 4.4523 4.6124 4.6124 4.8849 4.8849 4.9878 4.9878 8.9055 8.9055 9.0419 9.0419 9.0883 9.0883 9.2735 9.2735 9.5041 9.5041 k =-0.2572 1.5174 1.2051 ( 10258 PWs) bands (ev): -4.6420 -4.6420 -4.5691 -4.5691 -4.5592 -4.5592 -4.5025 -4.5025 -4.0627 -4.0627 -4.0509 -4.0509 0.7393 0.7393 0.8217 0.8217 1.0342 1.0342 1.0951 1.0951 2.7338 2.7338 2.7968 2.7968 3.7790 3.7790 4.0617 4.0617 4.2695 4.2695 4.3125 4.3125 4.4182 4.4182 4.5845 4.5845 4.8942 4.8942 4.9852 4.9852 8.9566 8.9566 9.1240 9.1240 9.1693 9.1693 9.2914 9.2914 9.5577 9.5577 k =-0.2572 1.5174 1.2467 ( 10258 PWs) bands (ev): -4.6209 -4.6209 -4.5557 -4.5557 -4.5472 -4.5472 -4.4997 -4.4997 -4.0641 -4.0641 -4.0539 -4.0539 0.7006 0.7006 0.7719 0.7719 0.9920 0.9920 1.0450 1.0450 2.7378 2.7378 2.7941 2.7941 3.8099 3.8099 4.0899 4.0899 4.2721 4.2721 4.3082 4.3082 4.3872 4.3872 4.5575 4.5575 4.9052 4.9052 4.9846 4.9846 9.0050 9.0050 9.1887 9.1887 9.2398 9.2398 9.3063 9.3063 9.6052 9.6052 k =-0.2572 1.5174 1.2883 ( 10264 PWs) bands (ev): -4.6011 -4.6011 -4.5439 -4.5439 -4.5369 -4.5369 -4.4988 -4.4988 -4.0652 -4.0652 -4.0566 -4.0566 0.6686 0.6686 0.7286 0.7286 0.9567 0.9567 1.0015 1.0015 2.7419 2.7419 2.7908 2.7908 3.8431 3.8431 4.1154 4.1154 4.2595 4.2595 4.3102 4.3102 4.3623 4.3623 4.5319 4.5319 4.9169 4.9169 4.9850 4.9850 9.0496 9.0496 9.2276 9.2276 9.2994 9.2994 9.3282 9.3282 9.6498 9.6498 k =-0.2572 1.5174 1.3298 ( 10264 PWs) bands (ev): -4.5827 -4.5827 -4.5338 -4.5338 -4.5285 -4.5285 -4.4998 -4.4998 -4.0661 -4.0661 -4.0591 -4.0591 0.6435 0.6435 0.6917 0.6917 0.9285 0.9285 0.9648 0.9648 2.7462 2.7462 2.7868 2.7868 3.8782 3.8782 4.1362 4.1362 4.2356 4.2356 4.3141 4.3141 4.3471 4.3471 4.5078 4.5078 4.9283 4.9283 4.9859 4.9859 9.0896 9.0896 9.2395 9.2395 9.3481 9.3481 9.3604 9.3604 9.6942 9.6942 k =-0.2572 1.5174 1.3714 ( 10276 PWs) bands (ev): -4.5659 -4.5659 -4.5256 -4.5256 -4.5222 -4.5222 -4.5027 -4.5027 -4.0666 -4.0666 -4.0614 -4.0614 0.6252 0.6252 0.6616 0.6616 0.9075 0.9075 0.9350 0.9350 2.7507 2.7507 2.7825 2.7825 3.9147 3.9147 4.1445 4.1445 4.2158 4.2158 4.3066 4.3066 4.3484 4.3484 4.4857 4.4857 4.9388 4.9388 4.9865 4.9865 9.1242 9.1242 9.2366 9.2366 9.3861 9.3861 9.3922 9.3922 9.7398 9.7398 k =-0.2572 1.5174 1.4129 ( 10276 PWs) bands (ev): -4.5508 -4.5508 -4.5194 -4.5194 -4.5185 -4.5185 -4.5071 -4.5071 -4.0667 -4.0667 -4.0632 -4.0632 0.6139 0.6139 0.6382 0.6382 0.8938 0.8938 0.9122 0.9122 2.7552 2.7552 2.7781 2.7781 3.9513 3.9513 4.1283 4.1283 4.2168 4.2168 4.2912 4.2912 4.3589 4.3589 4.4662 4.4662 4.9474 4.9474 4.9867 4.9867 9.1534 9.1534 9.2271 9.2271 9.4134 9.4134 9.4166 9.4166 9.7867 9.7867 k =-0.2572 1.5174 1.4545 ( 10284 PWs) bands (ev): -4.5377 -4.5377 -4.5195 -4.5195 -4.5151 -4.5151 -4.5110 -4.5110 -4.0665 -4.0665 -4.0647 -4.0647 0.6095 0.6095 0.6217 0.6217 0.8874 0.8874 0.8967 0.8967 2.7594 2.7594 2.7739 2.7739 3.9846 3.9846 4.1002 4.1002 4.2304 4.2304 4.2747 4.2747 4.3693 4.3693 4.4514 4.4514 4.9533 4.9533 4.9864 4.9864 9.1775 9.1775 9.2141 9.2141 9.4299 9.4299 9.4314 9.4314 9.8323 9.8323 k =-0.2572 1.5174 1.4960 ( 10282 PWs) bands (ev): -4.5271 -4.5271 -4.5267 -4.5267 -4.5129 -4.5129 -4.5125 -4.5125 -4.0658 -4.0658 -4.0658 -4.0658 0.6120 0.6120 0.6122 0.6122 0.8879 0.8879 0.8889 0.8889 2.7615 2.7615 2.7718 2.7718 4.0016 4.0016 4.0842 4.0842 4.2405 4.2405 4.2644 4.2644 4.3740 4.3740 4.4454 4.4454 4.9554 4.9554 4.9862 4.9862 9.1950 9.1950 9.2001 9.2001 9.4356 9.4356 9.4362 9.4362 9.8601 9.8601 k =-0.2572 1.5174 1.4960 ( 10282 PWs) bands (ev): -4.5271 -4.5271 -4.5267 -4.5267 -4.5129 -4.5129 -4.5125 -4.5125 -4.0658 -4.0658 -4.0658 -4.0658 0.6120 0.6120 0.6122 0.6122 0.8879 0.8879 0.8889 0.8889 2.7615 2.7615 2.7718 2.7718 4.0016 4.0016 4.0842 4.0842 4.2405 4.2405 4.2644 4.2644 4.3740 4.3740 4.4454 4.4454 4.9554 4.9554 4.9862 4.9862 9.1950 9.1950 9.2001 9.2001 9.4356 9.4356 9.4362 9.4362 9.8601 9.8601 k =-0.2641 1.4765 1.4960 ( 10282 PWs) bands (ev): -4.5354 -4.5354 -4.5346 -4.5346 -4.5113 -4.5113 -4.5105 -4.5105 -4.0652 -4.0652 -4.0652 -4.0652 0.6242 0.6242 0.6242 0.6242 0.8980 0.8980 0.8989 0.8989 2.7565 2.7565 2.7767 2.7767 3.9626 3.9626 4.0612 4.0612 4.2632 4.2632 4.2860 4.2860 4.3826 4.3826 4.4596 4.4596 4.9506 4.9506 4.9867 4.9867 9.2035 9.2035 9.2043 9.2043 9.4200 9.4200 9.4201 9.4201 9.8089 9.8089 k =-0.2711 1.4355 1.4960 ( 10274 PWs) bands (ev): -4.5460 -4.5460 -4.5448 -4.5448 -4.5115 -4.5115 -4.5104 -4.5104 -4.0643 -4.0643 -4.0642 -4.0642 0.6430 0.6430 0.6433 0.6433 0.9152 0.9152 0.9161 0.9161 2.7514 2.7514 2.7814 2.7814 3.9245 3.9245 4.0337 4.0337 4.2911 4.2911 4.3053 4.3053 4.3906 4.3906 4.4762 4.4762 4.9438 4.9438 4.9859 4.9859 9.2025 9.2025 9.2096 9.2096 9.3928 9.3928 9.3948 9.3948 9.7601 9.7601 k =-0.2780 1.3946 1.4960 ( 10266 PWs) bands (ev): -4.5586 -4.5586 -4.5570 -4.5570 -4.5137 -4.5137 -4.5123 -4.5123 -4.0630 -4.0630 -4.0628 -4.0628 0.6687 0.6687 0.6693 0.6693 0.9396 0.9396 0.9405 0.9405 2.7462 2.7462 2.7856 2.7856 3.8878 3.8878 4.0049 4.0049 4.3214 4.3214 4.3218 4.3218 4.3976 4.3976 4.4951 4.4951 4.9354 4.9354 4.9842 4.9842 9.1959 9.1959 9.2088 9.2088 9.3538 9.3538 9.3612 9.3612 9.7172 9.7172 k =-0.2849 1.3537 1.4960 ( 10254 PWs) bands (ev): -4.5729 -4.5729 -4.5709 -4.5709 -4.5179 -4.5179 -4.5162 -4.5162 -4.0613 -4.0613 -4.0611 -4.0611 0.7013 0.7013 0.7021 0.7021 0.9710 0.9710 0.9720 0.9720 2.7409 2.7409 2.7892 2.7892 3.8530 3.8530 3.9761 3.9761 4.3351 4.3351 4.3512 4.3512 4.4046 4.4046 4.5158 4.5158 4.9259 4.9259 4.9819 4.9819 9.1818 9.1818 9.1975 9.1975 9.3033 9.3033 9.3217 9.3217 9.6832 9.6832 k =-0.2919 1.3127 1.4960 ( 10250 PWs) bands (ev): -4.5888 -4.5888 -4.5865 -4.5865 -4.5240 -4.5240 -4.5220 -4.5220 -4.0593 -4.0593 -4.0591 -4.0591 0.7405 0.7405 0.7416 0.7416 1.0093 1.0093 1.0104 1.0104 2.7354 2.7354 2.7919 2.7919 3.8204 3.8204 3.9482 3.9482 4.3449 4.3449 4.3737 4.3737 4.4172 4.4172 4.5379 4.5379 4.9164 4.9164 4.9798 4.9798 9.1585 9.1585 9.1695 9.1695 9.2419 9.2419 9.2802 9.2802 9.6497 9.6573 k =-0.2988 1.2718 1.4960 ( 10270 PWs) bands (ev): -4.6061 -4.6061 -4.6035 -4.6035 -4.5319 -4.5319 -4.5296 -4.5296 -4.0571 -4.0571 -4.0568 -4.0568 0.7863 0.7863 0.7878 0.7878 1.0542 1.0542 1.0556 1.0556 2.7297 2.7297 2.7935 2.7935 3.7903 3.7903 3.9217 3.9217 4.3513 4.3513 4.3807 4.3807 4.4426 4.4426 4.5603 4.5603 4.9079 4.9079 4.9783 4.9783 9.1199 9.1199 9.1223 9.1223 9.1735 9.1735 9.2393 9.2393 9.6006 9.6008 k =-0.3057 1.2309 1.4960 ( 10260 PWs) bands (ev): -4.6247 -4.6247 -4.6218 -4.6218 -4.5415 -4.5415 -4.5389 -4.5389 -4.0546 -4.0546 -4.0543 -4.0543 0.8385 0.8385 0.8404 0.8404 1.1056 1.1056 1.1075 1.1075 2.7238 2.7238 2.7939 2.7939 3.7631 3.7631 3.8969 3.8969 4.3539 4.3539 4.3771 4.3771 4.4754 4.4754 4.5820 4.5820 4.9019 4.9019 4.9783 4.9783 9.0506 9.0506 9.0600 9.0600 9.1127 9.1127 9.1964 9.1964 9.5502 9.5502 k =-0.3127 1.1899 1.4960 ( 10256 PWs) bands (ev): -4.6444 -4.6444 -4.6413 -4.6413 -4.5525 -4.5525 -4.5498 -4.5498 -4.0520 -4.0520 -4.0516 -4.0516 0.8970 0.8970 0.8993 0.8993 1.1633 1.1633 1.1658 1.1658 2.7176 2.7176 2.7927 2.7927 3.7391 3.7391 3.8741 3.8741 4.3526 4.3526 4.3675 4.3675 4.5103 4.5103 4.6018 4.6018 4.9000 4.9000 4.9801 4.9801 8.9657 8.9657 8.9695 8.9695 9.0641 9.0641 9.1490 9.1490 9.4841 9.4841 k =-0.3196 1.1490 1.4960 ( 10256 PWs) bands (ev): -4.6650 -4.6650 -4.6617 -4.6617 -4.5650 -4.5650 -4.5620 -4.5620 -4.0493 -4.0493 -4.0489 -4.0489 0.9617 0.9617 0.9644 0.9644 1.2270 1.2270 1.2303 1.2303 2.7110 2.7110 2.7897 2.7897 3.7185 3.7185 3.8535 3.8535 4.3472 4.3472 4.3534 4.3534 4.5457 4.5457 4.6187 4.6187 4.9036 4.9036 4.9841 4.9841 8.8642 8.8642 8.8678 8.8678 9.0170 9.0170 9.0968 9.0968 9.3967 9.3967 k =-0.3266 1.1081 1.4960 ( 10252 PWs) bands (ev): -4.6864 -4.6864 -4.6828 -4.6828 -4.5786 -4.5786 -4.5754 -4.5754 -4.0464 -4.0464 -4.0460 -4.0460 1.0323 1.0323 1.0356 1.0356 1.2965 1.2965 1.3008 1.3008 2.7041 2.7041 2.7849 2.7849 3.7015 3.7015 3.8353 3.8353 4.3355 4.3355 4.3378 4.3378 4.5807 4.5807 4.6319 4.6319 4.9136 4.9136 4.9907 4.9907 8.7482 8.7482 8.7586 8.7586 8.9696 8.9696 9.0399 9.0399 9.2922 9.2922 k =-0.3335 1.0671 1.4960 ( 10260 PWs) bands (ev): -4.7083 -4.7083 -4.7046 -4.7046 -4.5932 -4.5932 -4.5898 -4.5898 -4.0435 -4.0435 -4.0431 -4.0431 1.1087 1.1087 1.1125 1.1125 1.3714 1.3714 1.3771 1.3771 2.6968 2.6968 2.7779 2.7779 3.6881 3.6881 3.8197 3.8197 4.3145 4.3145 4.3245 4.3245 4.6146 4.6146 4.6413 4.6413 4.9303 4.9303 4.9998 4.9998 8.6228 8.6228 8.6395 8.6395 8.9223 8.9223 8.9762 8.9762 9.1792 9.1792 k =-0.3404 1.0262 1.4960 ( 10256 PWs) bands (ev): -4.7307 -4.7307 -4.7268 -4.7268 -4.6086 -4.6086 -4.6051 -4.6051 -4.0406 -4.0406 -4.0401 -4.0401 1.1907 1.1907 1.1952 1.1952 1.4514 1.4514 1.4588 1.4588 2.6890 2.6890 2.7689 2.7689 3.6786 3.6786 3.8067 3.8067 4.2910 4.2910 4.3078 4.3078 4.6468 4.6468 4.6474 4.6474 4.9530 4.9530 5.0116 5.0116 8.4892 8.4892 8.5113 8.5113 8.8754 8.8754 8.8979 8.8979 9.0705 9.0706 k =-0.3474 0.9853 1.4960 ( 10256 PWs) bands (ev): -4.7532 -4.7532 -4.7493 -4.7493 -4.6247 -4.6247 -4.6211 -4.6211 -4.0376 -4.0376 -4.0372 -4.0372 1.2781 1.2781 1.2833 1.2833 1.5362 1.5362 1.5458 1.5458 2.6810 2.6810 2.7578 2.7578 3.6728 3.6728 3.7964 3.7964 4.2658 4.2658 4.2884 4.2884 4.6508 4.6508 4.6769 4.6769 4.9806 4.9806 5.0258 5.0258 8.3482 8.3482 8.3749 8.3749 8.7923 8.7923 8.8273 8.8273 8.9474 8.9474 k =-0.3543 0.9443 1.4960 ( 10256 PWs) bands (ev): -4.7759 -4.7759 -4.7720 -4.7720 -4.6413 -4.6413 -4.6376 -4.6376 -4.0347 -4.0347 -4.0343 -4.0343 1.3707 1.3707 1.3767 1.3767 1.6253 1.6253 1.6378 1.6378 2.6726 2.6726 2.7446 2.7446 3.6705 3.6705 3.7889 3.7889 4.2397 4.2397 4.2671 4.2671 4.6521 4.6521 4.7043 4.7043 5.0119 5.0119 5.0423 5.0423 8.2006 8.2006 8.2314 8.2314 8.6596 8.6596 8.7510 8.7510 8.8192 8.8192 k =-0.3612 0.9034 1.4960 ( 10250 PWs) bands (ev): -4.7985 -4.7985 -4.7945 -4.7945 -4.6581 -4.6581 -4.6544 -4.6544 -4.0318 -4.0318 -4.0315 -4.0315 1.4683 1.4683 1.4752 1.4752 1.7182 1.7182 1.7343 1.7343 2.6643 2.6643 2.7297 2.7297 3.6716 3.6716 3.7841 3.7841 4.2135 4.2135 4.2449 4.2449 4.6516 4.6516 4.7284 4.7284 5.0457 5.0457 5.0608 5.0608 8.0472 8.0472 8.0814 8.0814 8.5105 8.5105 8.5995 8.5995 8.7645 8.7645 k =-0.3682 0.8625 1.4960 ( 10248 PWs) bands (ev): -4.8209 -4.8209 -4.8169 -4.8169 -4.6752 -4.6752 -4.6714 -4.6714 -4.0290 -4.0290 -4.0287 -4.0287 1.5706 1.5706 1.5785 1.5785 1.8143 1.8143 1.8352 1.8352 2.6563 2.6563 2.7132 2.7132 3.6754 3.6754 3.7818 3.7818 4.1883 4.1883 4.2229 4.2229 4.6495 4.6495 4.7490 4.7490 5.0809 5.0809 5.0813 5.0813 7.8887 7.8887 7.9260 7.9260 8.3523 8.3523 8.4306 8.4306 8.7270 8.7270 k =-0.3751 0.8215 1.4960 ( 10248 PWs) bands (ev): -4.8429 -4.8429 -4.8389 -4.8389 -4.6922 -4.6922 -4.6884 -4.6884 -4.0263 -4.0263 -4.0260 -4.0260 1.6775 1.6775 1.6864 1.6864 1.9125 1.9125 1.9399 1.9399 2.6495 2.6495 2.6958 2.6958 3.6815 3.6815 3.7818 3.7818 4.1649 4.1649 4.2020 4.2020 4.6457 4.6457 4.7656 4.7656 5.1021 5.1021 5.1178 5.1178 7.7261 7.7261 7.7658 7.7658 8.1885 8.1885 8.2567 8.2567 8.6951 8.6951 k =-0.3821 0.7806 1.4960 ( 10260 PWs) bands (ev): -4.8644 -4.8644 -4.8605 -4.8605 -4.7091 -4.7091 -4.7054 -4.7054 -4.0237 -4.0237 -4.0234 -4.0234 1.7886 1.7886 1.7987 1.7987 2.0115 2.0115 2.0479 2.0479 2.6449 2.6449 2.6779 2.6779 3.6892 3.6892 3.7835 3.7835 4.1445 4.1445 4.1835 4.1835 4.6400 4.6400 4.7781 4.7781 5.1237 5.1237 5.1546 5.1546 7.5601 7.5601 7.6018 7.6018 8.0210 8.0210 8.0798 8.0798 8.6679 8.6679 k =-0.3890 0.7397 1.4960 ( 10260 PWs) bands (ev): -4.8853 -4.8853 -4.8815 -4.8815 -4.7257 -4.7257 -4.7221 -4.7221 -4.0212 -4.0212 -4.0209 -4.0209 1.9037 1.9037 1.9149 1.9149 2.1090 2.1090 2.1583 2.1583 2.6447 2.6447 2.6608 2.6608 3.6976 3.6976 3.7863 3.7863 4.1281 4.1281 4.1684 4.1684 4.6325 4.6325 4.7863 4.7863 5.1450 5.1450 5.1912 5.1912 7.3914 7.3914 7.4348 7.4348 7.8512 7.8512 7.9008 7.9008 8.6452 8.6452 k =-0.3959 0.6987 1.4960 ( 10252 PWs) bands (ev): -4.9055 -4.9055 -4.9018 -4.9018 -4.7420 -4.7420 -4.7384 -4.7384 -4.0187 -4.0187 -4.0185 -4.0185 2.0224 2.0224 2.0345 2.0345 2.2013 2.2013 2.2693 2.2693 2.6463 2.6463 2.6526 2.6526 3.7059 3.7059 3.7894 3.7894 4.1173 4.1173 4.1577 4.1577 4.6229 4.6229 4.7901 4.7901 5.1651 5.1651 5.2269 5.2269 7.2209 7.2209 7.2657 7.2657 7.6800 7.6800 7.7205 7.7205 8.6272 8.6272 k =-0.4029 0.6578 1.4960 ( 10258 PWs) bands (ev): -4.9248 -4.9248 -4.9212 -4.9212 -4.7576 -4.7576 -4.7542 -4.7542 -4.0165 -4.0165 -4.0162 -4.0162 2.1436 2.1436 2.1565 2.1565 2.2826 2.2826 2.3769 2.3769 2.6396 2.6396 2.6746 2.6746 3.7131 3.7131 3.7919 3.7919 4.1132 4.1132 4.1525 4.1525 4.6113 4.6113 4.7896 4.7896 5.1832 5.1832 5.2612 5.2612 7.0494 7.0494 7.0952 7.0952 7.5084 7.5084 7.5393 7.5393 8.6141 8.6141 k =-0.4098 0.6169 1.4960 ( 10262 PWs) bands (ev): -4.9432 -4.9432 -4.9398 -4.9398 -4.7727 -4.7727 -4.7694 -4.7694 -4.0143 -4.0143 -4.0141 -4.0141 2.2639 2.2639 2.2781 2.2781 2.3483 2.3483 2.4687 2.4687 2.6551 2.6551 2.7183 2.7183 3.7186 3.7186 3.7931 3.7931 4.1171 4.1171 4.1532 4.1532 4.5978 4.5978 4.7849 4.7849 5.1981 5.1981 5.2934 5.2934 6.8778 6.8778 6.9243 6.9243 7.3372 7.3372 7.3578 7.3578 8.6060 8.6060 k =-0.4167 0.5759 1.4960 ( 10274 PWs) bands (ev): -4.9606 -4.9606 -4.9573 -4.9573 -4.7870 -4.7870 -4.7839 -4.7839 -4.0123 -4.0123 -4.0121 -4.0121 2.3542 2.3542 2.3882 2.3882 2.4238 2.4238 2.5307 2.5307 2.7179 2.7179 2.7866 2.7866 3.7220 3.7220 3.7927 3.7927 4.1296 4.1296 4.1601 4.1601 4.5826 4.5826 4.7758 4.7758 5.2087 5.2087 5.3226 5.3226 6.7074 6.7074 6.7540 6.7540 7.1674 7.1674 7.1765 7.1765 8.6029 8.6029 k =-0.4237 0.5350 1.4960 ( 10270 PWs) bands (ev): -4.9768 -4.9768 -4.9738 -4.9738 -4.8005 -4.8005 -4.7976 -4.7976 -4.0104 -4.0104 -4.0102 -4.0102 2.3835 2.3835 2.4493 2.4493 2.5439 2.5439 2.6077 2.6077 2.8198 2.8198 2.8748 2.8748 3.7233 3.7233 3.7913 3.7913 4.1509 4.1509 4.1724 4.1724 4.5665 4.5665 4.7625 4.7625 5.2135 5.2135 5.3477 5.3477 6.5395 6.5395 6.5855 6.5855 6.9960 6.9960 7.0002 7.0002 8.6049 8.6049 k =-0.4306 0.4941 1.4960 ( 10270 PWs) bands (ev): -4.9919 -4.9919 -4.9891 -4.9891 -4.8131 -4.8131 -4.8104 -4.8104 -4.0087 -4.0087 -4.0085 -4.0085 2.3915 2.3915 2.4580 2.4580 2.6754 2.6754 2.7262 2.7262 2.9367 2.9367 2.9748 2.9748 3.7232 3.7232 3.7897 3.7897 4.1807 4.1807 4.1888 4.1888 4.5506 4.5506 4.7453 4.7453 5.2108 5.2108 5.3668 5.3668 6.3764 6.3764 6.4198 6.4198 6.8167 6.8167 6.8367 6.8367 8.6120 8.6120 k =-0.4376 0.4531 1.4960 ( 10282 PWs) bands (ev): -5.0057 -5.0057 -5.0031 -5.0031 -4.8247 -4.8247 -4.8222 -4.8222 -4.0071 -4.0071 -4.0070 -4.0070 2.3914 2.3914 2.4499 2.4499 2.8100 2.8100 2.8599 2.8599 3.0585 3.0585 3.0799 3.0799 3.7226 3.7226 3.7895 3.7895 4.2064 4.2064 4.2184 4.2184 4.5373 4.5373 4.7244 4.7244 5.1985 5.1985 5.3770 5.3770 6.2212 6.2212 6.2587 6.2587 6.6393 6.6393 6.6787 6.6787 8.6241 8.6241 k =-0.4445 0.4122 1.4960 ( 10274 PWs) bands (ev): -5.0182 -5.0182 -5.0159 -5.0159 -4.8353 -4.8353 -4.8330 -4.8330 -4.0057 -4.0057 -4.0056 -4.0056 2.3873 2.3873 2.4372 2.4372 2.9460 2.9460 2.9988 2.9988 3.1808 3.1808 3.1851 3.1851 3.7231 3.7231 3.7928 3.7928 4.2210 4.2210 4.2632 4.2632 4.5303 4.5303 4.7002 4.7002 5.1741 5.1741 5.3733 5.3733 6.0794 6.0794 6.1034 6.1034 6.4646 6.4646 6.5283 6.5283 8.6410 8.6410 k =-0.4514 0.3713 1.4960 ( 10282 PWs) bands (ev): -5.0293 -5.0293 -5.0272 -5.0272 -4.8447 -4.8447 -4.8427 -4.8427 -4.0044 -4.0044 -4.0044 -4.0044 2.3816 2.3816 2.4234 2.4234 3.0820 3.0820 3.1390 3.1390 3.2854 3.2854 3.3010 3.3010 3.7269 3.7269 3.8024 3.8024 4.2270 4.2270 4.3137 4.3137 4.5345 4.5345 4.6739 4.6739 5.1354 5.1354 5.3481 5.3481 5.9555 5.9555 5.9587 5.9587 6.2938 6.2938 6.3883 6.3883 8.6624 8.6624 k =-0.4584 0.3303 1.4960 ( 10286 PWs) bands (ev): -5.0390 -5.0390 -5.0372 -5.0372 -4.8529 -4.8529 -4.8512 -4.8512 -4.0033 -4.0033 -4.0033 -4.0033 2.3755 2.3755 2.4100 2.4100 3.2165 3.2165 3.2765 3.2765 3.3755 3.3755 3.4161 3.4161 3.7383 3.7383 3.8221 3.8221 4.2199 4.2199 4.3669 4.3669 4.5544 4.5544 4.6471 4.6471 5.0813 5.0813 5.2930 5.2930 5.8157 5.8157 5.8667 5.8667 6.1291 6.1291 6.2620 6.2620 8.6876 8.6876 k =-0.4653 0.2894 1.4960 ( 10290 PWs) bands (ev): -5.0473 -5.0473 -5.0458 -5.0458 -4.8600 -4.8600 -4.8585 -4.8585 -4.0024 -4.0024 -4.0024 -4.0024 2.3698 2.3698 2.3976 2.3976 3.3477 3.3477 3.4019 3.4019 3.4497 3.4497 3.5259 3.5259 3.7646 3.7646 3.8563 3.8563 4.1986 4.1986 4.4164 4.4164 4.5906 4.5906 4.6237 4.6237 5.0144 5.0144 5.2066 5.2066 5.6837 5.6837 5.8008 5.8008 5.9777 5.9777 6.1525 6.1525 8.7161 8.7161 k =-0.4722 0.2485 1.4960 ( 10296 PWs) bands (ev): -5.0541 -5.0541 -5.0529 -5.0529 -4.8657 -4.8657 -4.8645 -4.8645 -4.0016 -4.0016 -4.0016 -4.0016 2.3650 2.3650 2.3867 2.3867 3.4713 3.4713 3.4944 3.4944 3.5061 3.5061 3.6386 3.6386 3.8145 3.8145 3.9065 3.9065 4.1654 4.1654 4.4495 4.4495 4.6079 4.6079 4.6399 4.6399 4.9462 4.9462 5.0977 5.0977 5.5589 5.5589 5.7270 5.7270 5.8681 5.8681 6.0620 6.0620 8.7466 8.7466 k =-0.4792 0.2075 1.4960 ( 10300 PWs) bands (ev): -5.0593 -5.0593 -5.0584 -5.0584 -4.8702 -4.8702 -4.8693 -4.8693 -4.0010 -4.0010 -4.0010 -4.0010 2.3614 2.3614 2.3774 2.3774 3.5351 3.5351 3.5436 3.5436 3.5955 3.5955 3.7581 3.7581 3.8885 3.8885 3.9666 3.9666 4.1249 4.1249 4.4562 4.4562 4.5879 4.5879 4.6950 4.6950 4.9050 4.9050 4.9827 4.9827 5.4420 5.4420 5.6081 5.6081 5.8302 5.8302 5.9901 5.9901 8.7775 8.7776 k =-0.4861 0.1666 1.4960 ( 10300 PWs) bands (ev): -5.0631 -5.0631 -5.0625 -5.0625 -4.8734 -4.8734 -4.8728 -4.8728 -4.0006 -4.0006 -4.0006 -4.0006 2.3595 2.3595 2.3699 2.3699 3.5571 3.5571 3.5653 3.5653 3.7024 3.7024 3.8637 3.8637 3.9733 3.9733 4.0215 4.0215 4.0918 4.0918 4.4394 4.4394 4.5444 4.5444 4.7283 4.7283 4.8962 4.8962 4.9164 4.9164 5.3390 5.3390 5.4769 5.4769 5.8278 5.8278 5.9348 5.9348 8.8066 8.8066 k =-0.4931 0.1257 1.4960 ( 10288 PWs) bands (ev): -5.0653 -5.0653 -5.0649 -5.0649 -4.8753 -4.8753 -4.8750 -4.8750 -4.0004 -4.0004 -4.0004 -4.0004 2.3592 2.3592 2.3644 2.3644 3.5688 3.5688 3.5733 3.5733 3.7973 3.7973 3.9139 3.9139 4.0145 4.0145 4.0504 4.0504 4.1409 4.1409 4.3701 4.3701 4.5369 4.5369 4.6758 4.6758 4.9052 4.9052 4.9514 4.9514 5.2698 5.2698 5.3581 5.3581 5.8400 5.8400 5.8929 5.8929 8.8307 8.8393 k =-0.5000 0.0847 1.4960 ( 10268 PWs) bands (ev): -5.0659 -5.0659 -5.0659 -5.0659 -4.8758 -4.8758 -4.8758 -4.8758 -4.0003 -4.0003 -4.0003 -4.0003 2.3608 2.3608 2.3608 2.3608 3.5739 3.5739 3.5739 3.5739 3.8751 3.8751 3.8751 3.8751 4.0420 4.0420 4.0420 4.0420 4.2568 4.2568 4.2568 4.2568 4.5920 4.5920 4.5920 4.5920 4.9492 4.9492 4.9492 4.9492 5.2757 5.2757 5.2757 5.2757 5.8618 5.8618 5.8618 5.8618 8.8463 8.8463 k =-0.5000 0.0847 1.4960 ( 10268 PWs) bands (ev): -5.0659 -5.0659 -5.0659 -5.0659 -4.8758 -4.8758 -4.8758 -4.8758 -4.0003 -4.0003 -4.0003 -4.0003 2.3608 2.3608 2.3608 2.3608 3.5739 3.5739 3.5739 3.5739 3.8751 3.8751 3.8751 3.8751 4.0420 4.0420 4.0420 4.0420 4.2568 4.2568 4.2568 4.2568 4.5920 4.5920 4.5920 4.5920 4.9492 4.9492 4.9492 4.9492 5.2757 5.2757 5.2757 5.2757 5.8618 5.8618 5.8618 5.8618 8.8463 8.8463 k =-0.5000 0.0847 1.4545 ( 10294 PWs) bands (ev): -5.1477 -5.1477 -4.9824 -4.9824 -4.9549 -4.9549 -4.7953 -4.7953 -4.0228 -4.0228 -3.9791 -3.9791 2.3153 2.3153 2.4104 2.4104 3.5599 3.5599 3.5797 3.5797 3.8457 3.8457 3.8754 3.8754 4.0117 4.0117 4.0890 4.0890 4.2387 4.2387 4.2786 4.2786 4.5582 4.5582 4.6172 4.6172 4.9275 4.9275 4.9883 4.9883 5.2652 5.2652 5.3023 5.3023 5.8006 5.8006 5.9284 5.9284 8.8112 8.8112 k =-0.5000 0.0847 1.4129 ( 10302 PWs) bands (ev): -5.2279 -5.2279 -5.0324 -5.0324 -4.8974 -4.8974 -4.7134 -4.7134 -4.0465 -4.0465 -3.9593 -3.9593 2.2738 2.2738 2.4637 2.4637 3.5378 3.5378 3.5772 3.5772 3.7909 3.7909 3.8541 3.8541 4.0034 4.0034 4.1285 4.1285 4.2366 4.2366 4.2998 4.2998 4.5118 4.5118 4.6412 4.6412 4.9291 4.9291 5.0338 5.0338 5.2750 5.2750 5.3411 5.3411 5.7472 5.7472 5.9988 5.9988 8.7749 8.7749 k =-0.5000 0.0847 1.3714 ( 10298 PWs) bands (ev): -5.3062 -5.3062 -5.1084 -5.1084 -4.8109 -4.8109 -4.6304 -4.6304 -4.0714 -4.0714 -3.9410 -3.9410 2.2362 2.2362 2.5208 2.5208 3.5083 3.5083 3.5674 3.5674 3.7225 3.7225 3.8197 3.8197 4.0057 4.0057 4.1387 4.1387 4.2568 4.2568 4.3264 4.3264 4.4564 4.4564 4.6688 4.6688 4.9529 4.9529 5.0752 5.0752 5.3079 5.3079 5.3882 5.3882 5.7059 5.7059 6.0721 6.0721 8.7379 8.7379 k =-0.5000 0.0847 1.3298 ( 10290 PWs) bands (ev): -5.3828 -5.3828 -5.1828 -5.1828 -4.7230 -4.7230 -4.5462 -4.5462 -4.0973 -4.0973 -3.9242 -3.9242 2.2026 2.2026 2.5814 2.5814 3.4720 3.4720 3.5511 3.5511 3.6489 3.6489 3.7771 3.7771 4.0099 4.0099 4.1302 4.1302 4.2657 4.2657 4.3740 4.3740 4.4021 4.4021 4.7005 4.7005 4.9950 4.9950 5.1070 5.1070 5.3615 5.3615 5.4383 5.4383 5.6847 5.6847 6.1475 6.1475 8.7006 8.7006 k =-0.5000 0.0847 1.2883 ( 10290 PWs) bands (ev): -5.4574 -5.4574 -5.2553 -5.2553 -4.6338 -4.6338 -4.4611 -4.4611 -4.1240 -4.1240 -3.9089 -3.9089 2.1729 2.1729 2.6452 2.6452 3.4298 3.4298 3.5281 3.5281 3.5755 3.5755 3.7295 3.7295 4.0113 4.0113 4.1155 4.1155 4.2440 4.2440 4.3669 4.3669 4.4374 4.4374 4.7348 4.7348 5.0509 5.0509 5.1284 5.1284 5.4289 5.4289 5.4839 5.4839 5.6948 5.6948 6.2248 6.2248 8.6634 8.6634 k =-0.5000 0.0847 1.2467 ( 10286 PWs) bands (ev): -5.5301 -5.5301 -5.3261 -5.3261 -4.5435 -4.5435 -4.3752 -4.3752 -4.1514 -4.1514 -3.8952 -3.8952 2.1468 2.1468 2.7117 2.7117 3.3828 3.3828 3.4846 3.4846 3.5192 3.5192 3.6794 3.6794 4.0047 4.0047 4.0985 4.0985 4.1957 4.1957 4.3604 4.3604 4.5056 4.5056 4.7707 4.7707 5.1039 5.1039 5.1517 5.1517 5.4987 5.4987 5.5282 5.5282 5.7418 5.7418 6.3035 6.3035 8.6266 8.6266 k =-0.5000 0.0847 1.2051 ( 10284 PWs) bands (ev): -5.6008 -5.6008 -5.3951 -5.3951 -4.4521 -4.4521 -4.2889 -4.2889 -4.1792 -4.1792 -3.8829 -3.8829 2.1243 2.1243 2.7801 2.7801 3.3318 3.3318 3.4149 3.4149 3.4875 3.4875 3.6293 3.6293 3.9834 3.9834 4.0793 4.0793 4.1433 4.1433 4.3720 4.3720 4.5748 4.5748 4.8082 4.8082 5.1094 5.1094 5.2185 5.2185 5.5467 5.5467 5.6005 5.6005 5.8170 5.8170 6.3836 6.3836 8.5906 8.5906 k =-0.5000 0.0847 1.1636 ( 10282 PWs) bands (ev): -5.6695 -5.6695 -5.4621 -5.4621 -4.3598 -4.3598 -4.2141 -4.2141 -4.1957 -4.1957 -3.8719 -3.8719 2.1051 2.1051 2.8488 2.8488 3.2778 3.2778 3.3442 3.3442 3.4567 3.4567 3.5822 3.5822 3.9441 3.9441 4.0446 4.0446 4.1134 4.1134 4.3943 4.3943 4.6435 4.6435 4.8470 4.8470 5.0910 5.0910 5.3054 5.3054 5.5909 5.5909 5.6886 5.6886 5.9091 5.9091 6.4650 6.4650 8.5557 8.5557 k =-0.5000 0.0847 1.1220 ( 10278 PWs) bands (ev): -5.7361 -5.7361 -5.5272 -5.5272 -4.2667 -4.2667 -4.2380 -4.2380 -4.1140 -4.1140 -3.8618 -3.8618 2.0889 2.0889 2.9146 2.9146 3.2209 3.2209 3.2796 3.2796 3.4224 3.4224 3.5413 3.5413 3.8898 3.8898 3.9938 3.9938 4.1081 4.1081 4.4243 4.4243 4.7107 4.7107 4.8859 4.8859 5.0655 5.0655 5.3984 5.3984 5.6417 5.6417 5.7827 5.7827 6.0114 6.0114 6.5476 6.5476 8.5221 8.5221 k =-0.5000 0.0847 1.0805 ( 10296 PWs) bands (ev): -5.8005 -5.8005 -5.5902 -5.5902 -4.2671 -4.2671 -4.1728 -4.1728 -4.0289 -4.0289 -3.8516 -3.8516 2.0754 2.0754 2.9691 2.9691 3.1604 3.1604 3.2303 3.2303 3.3841 3.3841 3.5087 3.5087 3.8265 3.8265 3.9394 3.9394 4.1120 4.1120 4.4601 4.4601 4.7759 4.7759 4.9192 4.9192 5.0437 5.0437 5.4930 5.4930 5.7000 5.7000 5.8812 5.8812 6.1202 6.1202 6.6315 6.6315 8.4901 8.4901 k =-0.5000 0.0847 1.0389 ( 10286 PWs) bands (ev): -5.8628 -5.8628 -5.6512 -5.6512 -4.2963 -4.2963 -4.0785 -4.0785 -3.9491 -3.9491 -3.8373 -3.8373 2.0644 2.0644 2.9935 2.9935 3.0970 3.0970 3.2111 3.2111 3.3467 3.3467 3.4844 3.4844 3.7591 3.7591 3.8834 3.8834 4.1201 4.1201 4.5005 4.5005 4.8387 4.8387 4.9310 4.9310 5.0444 5.0444 5.5838 5.5838 5.7673 5.7673 5.9835 5.9835 6.2338 6.2338 6.7168 6.7168 8.4596 8.4596 k =-0.5000 0.0847 0.9974 ( 10292 PWs) bands (ev): -5.9229 -5.9229 -5.7101 -5.7101 -4.3256 -4.3256 -3.9839 -3.9839 -3.8909 -3.8909 -3.8027 -3.8027 2.0553 2.0553 2.9748 2.9748 3.0335 3.0335 3.2154 3.2154 3.3296 3.3296 3.4669 3.4669 3.6911 3.6911 3.8260 3.8260 4.1308 4.1308 4.5444 4.5444 4.8975 4.8975 4.9155 4.9155 5.0763 5.0763 5.6651 5.6651 5.8466 5.8466 6.0890 6.0890 6.3508 6.3508 6.8038 6.8038 8.4301 8.4301 k =-0.5000 0.0847 0.9558 ( 10306 PWs) bands (ev): -5.9808 -5.9808 -5.7669 -5.7669 -4.3547 -4.3547 -3.8893 -3.8893 -3.8682 -3.8682 -3.7340 -3.7340 2.0479 2.0479 2.9292 2.9292 2.9721 2.9721 3.1952 3.1952 3.3636 3.3636 3.4544 3.4544 3.6246 3.6246 3.7675 3.7675 4.1437 4.1437 4.5905 4.5905 4.8867 4.8867 4.9559 4.9559 5.1231 5.1231 5.7327 5.7327 5.9398 5.9398 6.1971 6.1971 6.4706 6.4706 6.8924 6.8924 8.3909 8.3913 k =-0.5000 0.0847 0.9143 ( 10308 PWs) bands (ev): -6.0364 -6.0364 -5.8215 -5.8215 -4.3835 -4.3835 -3.8613 -3.8613 -3.7943 -3.7943 -3.6517 -3.6517 2.0419 2.0419 2.8733 2.8733 2.9129 2.9129 3.1542 3.1542 3.4233 3.4233 3.4496 3.4496 3.5631 3.5631 3.7088 3.7088 4.1586 4.1586 4.6367 4.6367 4.8602 4.8602 5.0088 5.0088 5.1758 5.1758 5.7875 5.7875 6.0444 6.0444 6.3073 6.3073 6.5923 6.5923 6.9830 6.9830 8.3269 8.3269 k =-0.5000 0.0847 0.8727 ( 10302 PWs) bands (ev): -6.0897 -6.0897 -5.8740 -5.8740 -4.4119 -4.4119 -3.8590 -3.8590 -3.6999 -3.6999 -3.5662 -3.5662 2.0368 2.0368 2.8142 2.8142 2.8554 2.8554 3.1079 3.1079 3.4188 3.4188 3.5102 3.5102 3.5150 3.5150 3.6521 3.6521 4.1753 4.1753 4.6789 4.6789 4.8411 4.8411 5.0580 5.0580 5.2314 5.2314 5.8321 5.8321 6.1563 6.1563 6.4191 6.4191 6.7155 6.7155 7.0754 7.0754 8.2631 8.2631 k =-0.5000 0.0847 0.8311 ( 10306 PWs) bands (ev): -6.1407 -6.1407 -5.9241 -5.9241 -4.4398 -4.4398 -3.8591 -3.8591 -3.6060 -3.6060 -3.4803 -3.4803 2.0323 2.0323 2.7550 2.7550 2.7992 2.7992 3.0611 3.0611 3.3805 3.3805 3.4863 3.4863 3.5732 3.5732 3.6177 3.6177 4.1937 4.1937 4.7072 4.7072 4.8401 4.8401 5.1031 5.1031 5.2888 5.2888 5.8682 5.8682 6.2726 6.2726 6.5320 6.5320 6.8397 6.8397 7.1696 7.1696 8.2029 8.2029 k =-0.5000 0.0847 0.7896 ( 10300 PWs) bands (ev): -6.1893 -6.1893 -5.9720 -5.9720 -4.4670 -4.4670 -3.8608 -3.8608 -3.5128 -3.5128 -3.3948 -3.3948 2.0281 2.0281 2.6970 2.6970 2.7441 2.7441 3.0151 3.0151 3.3274 3.3274 3.4631 3.4631 3.5536 3.5536 3.6827 3.6827 4.2138 4.2138 4.7132 4.7132 4.8662 4.8662 5.1441 5.1441 5.3471 5.3471 5.8968 5.8968 6.3914 6.3914 6.6455 6.6455 6.9643 6.9643 7.2656 7.2656 8.1476 8.1476 k =-0.5000 0.0847 0.7480 ( 10300 PWs) bands (ev): -6.2356 -6.2356 -6.0176 -6.0176 -4.4935 -4.4935 -3.8637 -3.8637 -3.4208 -3.4208 -3.3103 -3.3103 2.0241 2.0241 2.6409 2.6409 2.6903 2.6903 2.9708 2.9708 3.2702 3.2702 3.4212 3.4212 3.5482 3.5482 3.7624 3.7624 4.2356 4.2356 4.7060 4.7060 4.9104 4.9104 5.1810 5.1810 5.4058 5.4058 5.9185 5.9185 6.5115 6.5115 6.7591 6.7591 7.0887 7.0887 7.3628 7.3628 8.0982 8.0982 k =-0.5000 0.0847 0.7065 ( 10306 PWs) bands (ev): -6.2795 -6.2795 -6.0609 -6.0609 -4.5192 -4.5192 -3.8675 -3.8675 -3.3300 -3.3300 -3.2272 -3.2272 2.0200 2.0200 2.5869 2.5869 2.6380 2.6380 2.9284 2.9284 3.2129 3.2129 3.3664 3.3664 3.5622 3.5622 3.8398 3.8398 4.2591 4.2591 4.6969 4.6969 4.9614 4.9614 5.2142 5.2142 5.4647 5.4647 5.9337 5.9337 6.6320 6.6320 6.8724 6.8724 7.2122 7.2122 7.4608 7.4608 8.0556 8.0556 k =-0.5000 0.0847 0.6649 ( 10302 PWs) bands (ev): -6.3210 -6.3210 -6.1019 -6.1019 -4.5439 -4.5439 -3.8720 -3.8720 -3.2410 -3.2410 -3.1459 -3.1459 2.0158 2.0158 2.5353 2.5353 2.5871 2.5871 2.8882 2.8882 3.1571 3.1571 3.3079 3.3079 3.5862 3.5862 3.9124 3.9124 4.2841 4.2841 4.6918 4.6918 5.0137 5.0137 5.2440 5.2440 5.5234 5.5234 5.9430 5.9430 6.7518 6.7518 6.9848 6.9848 7.3340 7.3340 7.5586 7.5586 8.0210 8.0210 k =-0.5000 0.0847 0.6234 ( 10288 PWs) bands (ev): -6.3601 -6.3601 -6.1404 -6.1404 -4.5675 -4.5675 -3.8771 -3.8771 -3.1540 -3.1540 -3.0668 -3.0668 2.0113 2.0113 2.4861 2.4861 2.5379 2.5379 2.8505 2.8505 3.1033 3.1033 3.2487 3.2487 3.6167 3.6167 3.9779 3.9779 4.3101 4.3101 4.6937 4.6937 5.0642 5.0642 5.2711 5.2711 5.5818 5.5818 5.9469 5.9469 6.8704 6.8704 7.0957 7.0957 7.4527 7.4527 7.6551 7.6551 7.9958 7.9958 k =-0.5000 0.0847 0.5818 ( 10286 PWs) bands (ev): -6.3967 -6.3967 -6.1766 -6.1766 -4.5901 -4.5901 -3.8827 -3.8827 -3.0695 -3.0695 -2.9902 -2.9902 2.0065 2.0065 2.4394 2.4394 2.4904 2.4904 2.8153 2.8153 3.0518 3.0518 3.1901 3.1901 3.6520 3.6520 4.0350 4.0350 4.3365 4.3365 4.7048 4.7048 5.1104 5.1104 5.2962 5.2962 5.6399 5.6399 5.9462 5.9462 6.9869 6.9869 7.2045 7.2045 7.5664 7.5664 7.7483 7.7483 7.9818 7.9818 k =-0.5000 0.0847 0.5402 ( 10282 PWs) bands (ev): -6.4308 -6.4308 -6.2104 -6.2104 -4.6114 -4.6114 -3.8885 -3.8885 -2.9877 -2.9877 -2.9165 -2.9165 2.0016 2.0016 2.3954 2.3954 2.4448 2.4448 2.7827 2.7827 3.0030 3.0030 3.1330 3.1330 3.6910 3.6910 4.0829 4.0829 4.3620 4.3620 4.7267 4.7267 5.1501 5.1501 5.3201 5.3201 5.6978 5.6978 5.9421 5.9421 7.1004 7.1004 7.3105 7.3105 7.6714 7.6714 7.8349 7.8349 7.9827 7.9827 k =-0.5000 0.0847 0.4987 ( 10286 PWs) bands (ev): -6.4625 -6.4625 -6.2417 -6.2417 -4.6315 -4.6315 -3.8944 -3.8944 -2.9092 -2.9092 -2.8460 -2.8460 1.9964 1.9964 2.3541 2.3541 2.4012 2.4012 2.7529 2.7529 2.9571 2.9571 3.0779 3.0779 3.7325 3.7325 4.1220 4.1220 4.3860 4.3860 4.7595 4.7595 5.1817 5.1817 5.3426 5.3426 5.7555 5.7555 5.9361 5.9361 7.2099 7.2099 7.4128 7.4128 7.7612 7.7612 7.9096 7.9096 8.0043 8.0043 k =-0.5000 0.0847 0.4571 ( 10300 PWs) bands (ev): -6.4917 -6.4917 -6.2706 -6.2706 -4.6502 -4.6502 -3.9003 -3.9003 -2.8345 -2.8345 -2.7792 -2.7792 1.9912 1.9912 2.3156 2.3156 2.3597 2.3597 2.7259 2.7259 2.9141 2.9141 3.0252 3.0252 3.7753 3.7753 4.1535 4.1535 4.4083 4.4083 4.8015 4.8015 5.2050 5.2050 5.3627 5.3627 5.8120 5.8120 5.9306 5.9306 7.3146 7.3146 7.5105 7.5105 7.8275 7.8275 7.9596 7.9596 8.0186 8.0186 k =-0.5000 0.0847 0.4156 ( 10294 PWs) bands (ev): -6.5184 -6.5184 -6.2971 -6.2971 -4.6675 -4.6675 -3.9062 -3.9062 -2.7639 -2.7639 -2.7164 -2.7164 1.9861 1.9861 2.2800 2.2800 2.3205 2.3205 2.7017 2.7017 2.8743 2.8743 2.9752 2.9752 3.8182 3.8182 4.1791 4.1791 4.4296 4.4296 4.8499 4.8499 5.2208 5.2208 5.3780 5.3780 5.8626 5.8626 5.9321 5.9321 7.4133 7.4133 7.6017 7.6017 7.8703 7.8703 7.9565 7.9565 8.0525 8.0525 k =-0.5000 0.0847 0.3740 ( 10298 PWs) bands (ev): -6.5426 -6.5426 -6.3210 -6.3210 -4.6833 -4.6833 -3.9118 -3.9118 -2.6980 -2.6980 -2.6580 -2.6580 1.9810 1.9810 2.2474 2.2474 2.2839 2.2839 2.6804 2.6804 2.8378 2.8378 2.9283 2.9283 3.8596 3.8596 4.2007 4.2007 4.4512 4.4512 4.9016 4.9016 5.2307 5.2307 5.3861 5.3861 5.8894 5.8894 5.9597 5.9597 7.5052 7.5052 7.6836 7.6836 7.8935 7.8935 7.9466 7.9466 8.0891 8.0891 k =-0.5000 0.0847 0.3325 ( 10310 PWs) bands (ev): -6.5643 -6.5643 -6.3425 -6.3425 -4.6976 -4.6976 -3.9171 -3.9171 -2.6372 -2.6372 -2.6045 -2.6045 1.9762 1.9762 2.2178 2.2178 2.2500 2.2500 2.6621 2.6621 2.8048 2.8048 2.8848 2.8848 3.8979 3.8979 4.2199 4.2199 4.4741 4.4741 4.9536 4.9536 5.2361 5.2361 5.3854 5.3854 5.8950 5.8950 6.0112 6.0112 7.5895 7.5895 7.7481 7.7481 7.8969 7.8969 7.9635 7.9635 8.1113 8.1113 k =-0.5000 0.0847 0.2909 ( 10310 PWs) bands (ev): -6.5835 -6.5835 -6.3615 -6.3615 -4.7103 -4.7103 -3.9220 -3.9220 -2.5821 -2.5821 -2.5562 -2.5562 1.9718 1.9718 2.1914 2.1914 2.2191 2.2191 2.6467 2.6467 2.7754 2.7754 2.8449 2.8449 3.9317 3.9317 4.2377 4.2377 4.4990 4.4990 5.0033 5.0033 5.2381 5.2381 5.3759 5.3759 5.8978 5.8978 6.0677 6.0677 7.6656 7.6656 7.7782 7.7782 7.9144 7.9144 7.9947 7.9947 8.1232 8.1232 k =-0.5000 0.0847 0.2493 ( 10304 PWs) bands (ev): -6.6001 -6.6001 -6.3780 -6.3780 -4.7214 -4.7214 -3.9264 -3.9264 -2.5332 -2.5332 -2.5135 -2.5135 1.9677 1.9677 2.1682 2.1682 2.1914 2.1914 2.6343 2.6343 2.7498 2.7498 2.8089 2.8089 3.9600 3.9600 4.2548 4.2548 4.5264 4.5264 5.0487 5.0487 5.2373 5.2373 5.3591 5.3591 5.9021 5.9021 6.1232 6.1232 7.7335 7.7335 7.7745 7.7745 7.9556 7.9556 8.0291 8.0291 8.1298 8.1298 k =-0.5000 0.0847 0.2078 ( 10300 PWs) bands (ev): -6.6141 -6.6141 -6.3919 -6.3919 -4.7309 -4.7309 -3.9303 -3.9303 -2.4909 -2.4909 -2.4767 -2.4767 1.9642 1.9642 2.1485 2.1485 2.1673 2.1673 2.6247 2.6247 2.7281 2.7281 2.7770 2.7770 3.9825 3.9825 4.2710 4.2710 4.5561 4.5561 5.0883 5.0883 5.2336 5.2336 5.3380 5.3380 5.9079 5.9079 6.1751 6.1751 7.7587 7.7587 7.7933 7.7933 7.9995 7.9995 8.0627 8.0627 8.1351 8.1351 k =-0.5000 0.0847 0.1662 ( 10290 PWs) bands (ev): -6.6256 -6.6256 -6.4033 -6.4033 -4.7387 -4.7387 -3.9335 -3.9335 -2.4556 -2.4556 -2.4462 -2.4462 1.9613 1.9613 2.1323 2.1323 2.1470 2.1470 2.6178 2.6178 2.7106 2.7106 2.7494 2.7494 3.9993 3.9993 4.2855 4.2855 4.5870 4.5870 5.1208 5.1208 5.2259 5.2259 5.3170 5.3170 5.9147 5.9147 6.2212 6.2212 7.7419 7.7419 7.8449 7.8449 8.0345 8.0345 8.0920 8.0920 8.1425 8.1425 k =-0.5000 0.0847 0.1247 ( 10282 PWs) bands (ev): -6.6346 -6.6346 -6.4122 -6.4122 -4.7447 -4.7447 -3.9361 -3.9361 -2.4277 -2.4277 -2.4221 -2.4221 1.9590 1.9590 2.1198 2.1198 2.1306 2.1306 2.6133 2.6133 2.6974 2.6974 2.7264 2.7264 4.0112 4.0112 4.2976 4.2976 4.6171 4.6171 5.1455 5.1455 5.2134 5.2134 5.3010 5.3010 5.9213 5.9213 6.2597 6.2597 7.7273 7.7273 7.8878 7.8878 8.0575 8.0575 8.1129 8.1129 8.1549 8.1549 k =-0.5000 0.0847 0.0831 ( 10288 PWs) bands (ev): -6.6410 -6.6410 -6.4186 -6.4186 -4.7491 -4.7491 -3.9379 -3.9379 -2.4076 -2.4076 -2.4048 -2.4048 1.9573 1.9573 2.1110 2.1110 2.1185 2.1185 2.6108 2.6108 2.6889 2.6889 2.7082 2.7082 4.0190 4.0190 4.3066 4.3066 4.6432 4.6432 5.1621 5.1621 5.1982 5.1982 5.2919 5.2919 5.9268 5.9268 6.2886 6.2886 7.7163 7.7163 7.9207 7.9207 8.0703 8.0703 8.1240 8.1240 8.1701 8.1701 k =-0.5000 0.0847 0.0416 ( 10294 PWs) bands (ev): -6.6449 -6.6449 -6.4224 -6.4224 -4.7517 -4.7517 -3.9391 -3.9391 -2.3953 -2.3953 -2.3943 -2.3943 1.9563 1.9563 2.1061 2.1061 2.1108 2.1108 2.6097 2.6097 2.6854 2.6854 2.6952 2.6952 4.0233 4.0233 4.3122 4.3122 4.6613 4.6613 5.1704 5.1704 5.1867 5.1867 5.2881 5.2881 5.9304 5.9304 6.3066 6.3066 7.7095 7.7095 7.9418 7.9418 8.0766 8.0766 8.1285 8.1285 8.1818 8.1818 k =-0.5000 0.0847-0.0000 ( 10290 PWs) bands (ev): -6.6461 -6.6461 -6.4236 -6.4236 -4.7526 -4.7526 -3.9394 -3.9394 -2.3911 -2.3911 -2.3910 -2.3910 1.9560 1.9560 2.1046 2.1046 2.1080 2.1080 2.6095 2.6095 2.6863 2.6863 2.6888 2.6888 4.0247 4.0247 4.3140 4.3140 4.6678 4.6678 5.1716 5.1716 5.1836 5.1836 5.2872 5.2872 5.9317 5.9317 6.3127 6.3127 7.7073 7.7073 7.9491 7.9491 8.0785 8.0785 8.1296 8.1296 8.1860 8.1860 k = 0.0000 0.0000 1.4960 ( 10274 PWs) bands (ev): -5.0716 -5.0716 -5.0716 -5.0716 -4.8674 -4.8674 -4.8674 -4.8674 -4.0038 -4.0038 -4.0038 -4.0038 2.4828 2.4828 2.4828 2.4828 3.1777 3.1777 3.1777 3.1777 3.9231 3.9231 3.9231 3.9231 4.1083 4.1083 4.1083 4.1083 4.3944 4.3944 4.3944 4.3944 4.6932 4.6932 4.6932 4.6932 5.0971 5.0971 5.0971 5.0971 5.3241 5.3241 5.3241 5.3241 5.5512 5.5512 5.5512 5.5512 8.8772 8.8772 k =-0.0385 0.0065 1.4960 ( 10278 PWs) bands (ev): -5.0715 -5.0715 -5.0715 -5.0715 -4.8675 -4.8675 -4.8675 -4.8675 -4.0038 -4.0038 -4.0038 -4.0038 2.4805 2.4805 2.4805 2.4805 3.1826 3.1826 3.1826 3.1826 3.9237 3.9237 3.9237 3.9237 4.1066 4.1066 4.1066 4.1066 4.3939 4.3939 4.3939 4.3939 4.6917 4.6917 4.6917 4.6917 5.0925 5.0925 5.0925 5.0925 5.3218 5.3218 5.3218 5.3218 5.5590 5.5590 5.5590 5.5590 8.8781 8.8781 k =-0.0769 0.0130 1.4960 ( 10260 PWs) bands (ev): -5.0713 -5.0713 -5.0713 -5.0713 -4.8678 -4.8678 -4.8678 -4.8678 -4.0036 -4.0036 -4.0036 -4.0036 2.4739 2.4739 2.4739 2.4739 3.1970 3.1970 3.1970 3.1970 3.9254 3.9254 3.9254 3.9254 4.1018 4.1018 4.1018 4.1018 4.3924 4.3924 4.3924 4.3924 4.6872 4.6872 4.6872 4.6872 5.0796 5.0796 5.0796 5.0796 5.3161 5.3161 5.3161 5.3161 5.5804 5.5804 5.5804 5.5804 8.8802 8.8802 k =-0.1154 0.0196 1.4960 ( 10264 PWs) bands (ev): -5.0709 -5.0709 -5.0709 -5.0709 -4.8684 -4.8684 -4.8684 -4.8684 -4.0034 -4.0034 -4.0034 -4.0034 2.4637 2.4637 2.4637 2.4637 3.2200 3.2200 3.2200 3.2200 3.9282 3.9282 3.9282 3.9282 4.0940 4.0940 4.0940 4.0940 4.3894 4.3894 4.3894 4.3894 4.6798 4.6798 4.6798 4.6798 5.0611 5.0611 5.0611 5.0611 5.3093 5.3093 5.3093 5.3093 5.6110 5.6110 5.6110 5.6110 8.8820 8.8820 k =-0.1538 0.0261 1.4960 ( 10274 PWs) bands (ev): -5.0704 -5.0704 -5.0704 -5.0704 -4.8692 -4.8692 -4.8692 -4.8692 -4.0030 -4.0030 -4.0030 -4.0030 2.4508 2.4508 2.4508 2.4508 3.2505 3.2505 3.2505 3.2505 3.9317 3.9317 3.9317 3.9317 4.0836 4.0836 4.0836 4.0836 4.3843 4.3843 4.3843 4.3843 4.6695 4.6695 4.6695 4.6695 5.0399 5.0399 5.0399 5.0399 5.3028 5.3028 5.3028 5.3028 5.6464 5.6464 5.6464 5.6464 8.8818 8.8818 k =-0.1923 0.0326 1.4960 ( 10270 PWs) bands (ev): -5.0698 -5.0698 -5.0698 -5.0698 -4.8700 -4.8700 -4.8700 -4.8700 -4.0027 -4.0027 -4.0027 -4.0027 2.4365 2.4365 2.4365 2.4365 3.2869 3.2869 3.2869 3.2869 3.9355 3.9355 3.9355 3.9355 4.0713 4.0713 4.0713 4.0713 4.3765 4.3765 4.3765 4.3765 4.6570 4.6570 4.6570 4.6570 5.0189 5.0189 5.0189 5.0189 5.2970 5.2970 5.2970 5.2970 5.6835 5.6835 5.6835 5.6835 8.8791 8.8791 k =-0.2308 0.0391 1.4960 ( 10258 PWs) bands (ev): -5.0691 -5.0691 -5.0691 -5.0691 -4.8710 -4.8710 -4.8710 -4.8710 -4.0022 -4.0022 -4.0022 -4.0022 2.4218 2.4218 2.4218 2.4218 3.3279 3.3279 3.3279 3.3279 3.9387 3.9387 3.9387 3.9387 4.0580 4.0580 4.0580 4.0580 4.3653 4.3653 4.3653 4.3653 4.6433 4.6433 4.6433 4.6433 5.0001 5.0001 5.0001 5.0001 5.2920 5.2920 5.2920 5.2920 5.7201 5.7201 5.7201 5.7201 8.8745 8.8745 k =-0.2692 0.0456 1.4960 ( 10280 PWs) bands (ev): -5.0684 -5.0684 -5.0684 -5.0684 -4.8720 -4.8720 -4.8720 -4.8720 -4.0018 -4.0018 -4.0018 -4.0018 2.4074 2.4074 2.4074 2.4074 3.3719 3.3719 3.3719 3.3719 3.9398 3.9398 3.9398 3.9398 4.0455 4.0455 4.0455 4.0455 4.3504 4.3504 4.3504 4.3504 4.6298 4.6298 4.6298 4.6298 4.9845 4.9845 4.9845 4.9845 5.2877 5.2877 5.2877 5.2877 5.7545 5.7545 5.7545 5.7545 8.8690 8.8690 k =-0.3077 0.0522 1.4960 ( 10294 PWs) bands (ev): -5.0678 -5.0678 -5.0678 -5.0678 -4.8730 -4.8730 -4.8730 -4.8730 -4.0014 -4.0014 -4.0014 -4.0014 2.3942 2.3942 2.3942 2.3942 3.4173 3.4173 3.4173 3.4173 3.9365 3.9365 3.9365 3.9365 4.0362 4.0362 4.0362 4.0362 4.3320 4.3320 4.3320 4.3320 4.6177 4.6177 4.6177 4.6177 4.9723 4.9723 4.9723 4.9723 5.2841 5.2841 5.2841 5.2841 5.7854 5.7854 5.7854 5.7854 8.8632 8.8632 k =-0.3462 0.0587 1.4960 ( 10294 PWs) bands (ev): -5.0671 -5.0671 -5.0671 -5.0671 -4.8739 -4.8739 -4.8739 -4.8739 -4.0010 -4.0010 -4.0010 -4.0010 2.3827 2.3827 2.3827 2.3827 3.4622 3.4622 3.4622 3.4622 3.9268 3.9268 3.9268 3.9268 4.0322 4.0322 4.0322 4.0322 4.3116 4.3116 4.3116 4.3116 4.6079 4.6079 4.6079 4.6079 4.9631 4.9631 4.9631 4.9631 5.2811 5.2811 5.2811 5.2811 5.8120 5.8120 5.8120 5.8120 8.8577 8.8577 k =-0.3846 0.0652 1.4960 ( 10296 PWs) bands (ev): -5.0666 -5.0666 -5.0666 -5.0666 -4.8747 -4.8747 -4.8747 -4.8747 -4.0007 -4.0007 -4.0007 -4.0007 2.3734 2.3734 2.3734 2.3734 3.5042 3.5042 3.5042 3.5042 3.9116 3.9116 3.9116 3.9116 4.0331 4.0331 4.0331 4.0331 4.2911 4.2911 4.2911 4.2911 4.6006 4.6006 4.6006 4.6006 4.9567 4.9567 4.9567 4.9567 5.2788 5.2788 5.2788 5.2788 5.8334 5.8334 5.8334 5.8334 8.8529 8.8529 k =-0.4231 0.0717 1.4960 ( 10278 PWs) bands (ev): -5.0662 -5.0662 -5.0662 -5.0662 -4.8753 -4.8753 -4.8753 -4.8753 -4.0005 -4.0005 -4.0005 -4.0005 2.3665 2.3665 2.3665 2.3665 3.5399 3.5399 3.5399 3.5399 3.8945 3.8945 3.8945 3.8945 4.0368 4.0368 4.0368 4.0368 4.2734 4.2734 4.2734 4.2734 4.5957 4.5957 4.5957 4.5957 4.9524 4.9524 4.9524 4.9524 5.2771 5.2771 5.2771 5.2771 5.8490 5.8490 5.8490 5.8490 8.8493 8.8493 k =-0.4615 0.0782 1.4960 ( 10278 PWs) bands (ev): -5.0660 -5.0660 -5.0660 -5.0660 -4.8757 -4.8757 -4.8757 -4.8757 -4.0003 -4.0003 -4.0003 -4.0003 2.3623 2.3623 2.3623 2.3623 3.5648 3.5648 3.5648 3.5648 3.8806 3.8806 3.8806 3.8806 4.0405 4.0405 4.0405 4.0405 4.2612 4.2612 4.2612 4.2612 4.5929 4.5929 4.5929 4.5929 4.9500 4.9500 4.9500 4.9500 5.2760 5.2760 5.2760 5.2760 5.8586 5.8586 5.8586 5.8586 8.8470 8.8470 k =-0.5000 0.0847 1.4960 ( 10268 PWs) bands (ev): -5.0659 -5.0659 -5.0659 -5.0659 -4.8758 -4.8758 -4.8758 -4.8758 -4.0003 -4.0003 -4.0003 -4.0003 2.3608 2.3608 2.3608 2.3608 3.5739 3.5739 3.5739 3.5739 3.8751 3.8751 3.8751 3.8751 4.0420 4.0420 4.0420 4.0420 4.2568 4.2568 4.2568 4.2568 4.5920 4.5920 4.5920 4.5920 4.9492 4.9492 4.9492 4.9492 5.2757 5.2757 5.2757 5.2757 5.8618 5.8618 5.8618 5.8618 8.8463 8.8463 Writing output data file LaTe3.save init_run : 4.75s CPU 14.00s WALL ( 1 calls) electrons : 3139.34s CPU 3156.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 1.20s WALL ( 1 calls) Called by electrons: c_bands : 3139.32s CPU 3156.70s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.72s WALL ( 1 calls) v_h : 0.03s CPU 0.04s WALL ( 1 calls) v_xc : 0.09s CPU 0.49s WALL ( 1 calls) newd : 0.65s CPU 0.86s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.22s CPU 0.39s WALL ( 340 calls) cegterg : 3002.91s CPU 3016.43s WALL ( 1767 calls) Called by sum_band: Called by *egterg: h_psi : 2018.72s CPU 2041.88s WALL ( 35616 calls) s_psi : 165.37s CPU 165.43s WALL ( 35616 calls) g_psi : 3.55s CPU 3.56s WALL ( 33509 calls) cdiaghg : 532.96s CPU 524.29s WALL ( 33849 calls) cegterg:over : 172.50s CPU 167.18s WALL ( 33509 calls) cegterg:upda : 64.80s CPU 76.06s WALL ( 33509 calls) cegterg:last : 47.78s CPU 49.55s WALL ( 4377 calls) Called by h_psi: h_psi:vloc : 1659.53s CPU 1677.89s WALL ( 35616 calls) h_psi:vnl : 357.13s CPU 360.18s WALL ( 35616 calls) add_vuspsi : 148.93s CPU 161.79s WALL ( 35616 calls) General routines calbec : 208.02s CPU 198.08s WALL ( 35616 calls) fft : 0.13s CPU 1.29s WALL ( 15 calls) fftw : 1546.65s CPU 1554.45s WALL ( 2542276 calls) davcio : 0.04s CPU 3.05s WALL ( 680 calls) Parallel routines fft_scatter : 635.53s CPU 639.40s WALL ( 2542291 calls) PWSCF : 53m46.35s CPU 56m50.65s WALL This run was terminated on: 19:53:45 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=