Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:19:20 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrTiTe4.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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 63 17 3034 3034 451 Max 64 64 19 3038 3038 456 Sum 2291 2291 639 109303 109303 16333 bravais-lattice index = 14 lattice parameter (alat) = 7.2849 a.u. unit-cell volume = 1131.0489 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.284894 celldm(2)= 1.694682 celldm(3)= 1.726329 celldm(4)= 0.001047 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.694682 0.000000 ) a(3) = ( 0.000000 0.001808 1.726328 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.590081 -0.000618 ) b(3) = ( 0.000000 0.000000 0.579264 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Te read from file: /users/gautes/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 PseudoPot. # 3 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Te 6.00 127.60000 Te( 1.00) Ti 12.00 47.86700 Ti( 1.00) 4 Sym. Ops., with inversion, found 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 282 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0000000 0.0000000 0.0120680), wk = 0.0035461 k( 3) = ( 0.0000000 0.0000000 0.0241360), wk = 0.0035461 k( 4) = ( 0.0000000 0.0000000 0.0362040), wk = 0.0035461 k( 5) = ( 0.0000000 0.0000000 0.0482720), wk = 0.0035461 k( 6) = ( 0.0000000 0.0000000 0.0603400), wk = 0.0035461 k( 7) = ( 0.0000000 0.0000000 0.0724080), wk = 0.0035461 k( 8) = ( 0.0000000 0.0000000 0.0844760), wk = 0.0035461 k( 9) = ( 0.0000000 0.0000000 0.0965440), wk = 0.0035461 k( 10) = ( 0.0000000 0.0000000 0.1086120), wk = 0.0035461 k( 11) = ( 0.0000000 0.0000000 0.1206800), wk = 0.0035461 k( 12) = ( 0.0000000 0.0000000 0.1327480), wk = 0.0035461 k( 13) = ( 0.0000000 0.0000000 0.1448160), wk = 0.0035461 k( 14) = ( 0.0000000 0.0000000 0.1568840), wk = 0.0035461 k( 15) = ( 0.0000000 0.0000000 0.1689520), wk = 0.0035461 k( 16) = ( 0.0000000 0.0000000 0.1810200), wk = 0.0035461 k( 17) = ( 0.0000000 0.0000000 0.1930880), wk = 0.0035461 k( 18) = ( 0.0000000 0.0000000 0.2051560), wk = 0.0035461 k( 19) = ( 0.0000000 0.0000000 0.2172240), wk = 0.0035461 k( 20) = ( 0.0000000 0.0000000 0.2292920), wk = 0.0035461 k( 21) = ( 0.0000000 0.0000000 0.2413600), wk = 0.0035461 k( 22) = ( 0.0000000 0.0000000 0.2534280), wk = 0.0035461 k( 23) = ( 0.0000000 0.0000000 0.2654960), wk = 0.0035461 k( 24) = ( 0.0000000 0.0000000 0.2775640), wk = 0.0035461 k( 25) = ( 0.0000000 0.0000000 0.2896320), wk = 0.0035461 k( 26) = ( 0.0000000 0.0000000 0.2896320), wk = 0.0035461 k( 27) = ( 0.0000000 0.0117895 0.2896320), wk = 0.0035461 k( 28) = ( 0.0000000 0.0235790 0.2896320), wk = 0.0035461 k( 29) = ( 0.0000000 0.0353685 0.2896320), wk = 0.0035461 k( 30) = ( 0.0000000 0.0471580 0.2896320), wk = 0.0035461 k( 31) = ( 0.0000000 0.0589475 0.2896320), wk = 0.0035461 k( 32) = ( 0.0000000 0.0707370 0.2896320), wk = 0.0035461 k( 33) = ( 0.0000000 0.0825265 0.2896320), wk = 0.0035461 k( 34) = ( 0.0000000 0.0943160 0.2896320), wk = 0.0035461 k( 35) = ( 0.0000000 0.1061055 0.2896320), wk = 0.0035461 k( 36) = ( 0.0000000 0.1178950 0.2896320), wk = 0.0035461 k( 37) = ( 0.0000000 0.1296845 0.2896320), wk = 0.0035461 k( 38) = ( 0.0000000 0.1414740 0.2896320), wk = 0.0035461 k( 39) = ( 0.0000000 0.1532635 0.2896320), wk = 0.0035461 k( 40) = ( 0.0000000 0.1650530 0.2896320), wk = 0.0035461 k( 41) = ( 0.0000000 0.1768426 0.2896320), wk = 0.0035461 k( 42) = ( 0.0000000 0.1886321 0.2896320), wk = 0.0035461 k( 43) = ( 0.0000000 0.2004216 0.2896320), wk = 0.0035461 k( 44) = ( 0.0000000 0.2122111 0.2896320), wk = 0.0035461 k( 45) = ( 0.0000000 0.2240006 0.2896320), wk = 0.0035461 k( 46) = ( 0.0000000 0.2357901 0.2896320), wk = 0.0035461 k( 47) = ( 0.0000000 0.2475796 0.2896320), wk = 0.0035461 k( 48) = ( 0.0000000 0.2593691 0.2896320), wk = 0.0035461 k( 49) = ( 0.0000000 0.2711586 0.2896320), wk = 0.0035461 k( 50) = ( 0.0000000 0.2829481 0.2896320), wk = 0.0035461 k( 51) = ( 0.0000000 0.2947376 0.2896320), wk = 0.0035461 k( 52) = ( 0.0000000 0.2947376 0.2896320), wk = 0.0035461 k( 53) = ( 0.0000000 0.2950406 0.2893230), wk = 0.0035461 k( 54) = ( 0.0000000 0.2950406 0.2893230), wk = 0.0035461 k( 55) = ( 0.0121951 0.2950406 0.2893230), wk = 0.0035461 k( 56) = ( 0.0243902 0.2950406 0.2893230), wk = 0.0035461 k( 57) = ( 0.0365854 0.2950406 0.2893230), wk = 0.0035461 k( 58) = ( 0.0487805 0.2950406 0.2893230), wk = 0.0035461 k( 59) = ( 0.0609756 0.2950406 0.2893230), wk = 0.0035461 k( 60) = ( 0.0731707 0.2950406 0.2893230), wk = 0.0035461 k( 61) = ( 0.0853658 0.2950406 0.2893230), wk = 0.0035461 k( 62) = ( 0.0975610 0.2950406 0.2893230), wk = 0.0035461 k( 63) = ( 0.1097561 0.2950406 0.2893230), wk = 0.0035461 k( 64) = ( 0.1219512 0.2950406 0.2893230), wk = 0.0035461 k( 65) = ( 0.1341463 0.2950406 0.2893230), wk = 0.0035461 k( 66) = ( 0.1463415 0.2950406 0.2893230), wk = 0.0035461 k( 67) = ( 0.1585366 0.2950406 0.2893230), wk = 0.0035461 k( 68) = ( 0.1707317 0.2950406 0.2893230), wk = 0.0035461 k( 69) = ( 0.1829268 0.2950406 0.2893230), wk = 0.0035461 k( 70) = ( 0.1951219 0.2950406 0.2893230), wk = 0.0035461 k( 71) = ( 0.2073171 0.2950406 0.2893230), wk = 0.0035461 k( 72) = ( 0.2195122 0.2950406 0.2893230), wk = 0.0035461 k( 73) = ( 0.2317073 0.2950406 0.2893230), wk = 0.0035461 k( 74) = ( 0.2439024 0.2950406 0.2893230), wk = 0.0035461 k( 75) = ( 0.2560976 0.2950406 0.2893230), wk = 0.0035461 k( 76) = ( 0.2682927 0.2950406 0.2893230), wk = 0.0035461 k( 77) = ( 0.2804878 0.2950406 0.2893230), wk = 0.0035461 k( 78) = ( 0.2926829 0.2950406 0.2893230), wk = 0.0035461 k( 79) = ( 0.3048781 0.2950406 0.2893230), wk = 0.0035461 k( 80) = ( 0.3170732 0.2950406 0.2893230), wk = 0.0035461 k( 81) = ( 0.3292683 0.2950406 0.2893230), wk = 0.0035461 k( 82) = ( 0.3414634 0.2950406 0.2893230), wk = 0.0035461 k( 83) = ( 0.3536585 0.2950406 0.2893230), wk = 0.0035461 k( 84) = ( 0.3658537 0.2950406 0.2893230), wk = 0.0035461 k( 85) = ( 0.3780488 0.2950406 0.2893230), wk = 0.0035461 k( 86) = ( 0.3902439 0.2950406 0.2893230), wk = 0.0035461 k( 87) = ( 0.4024390 0.2950406 0.2893230), wk = 0.0035461 k( 88) = ( 0.4146341 0.2950406 0.2893230), wk = 0.0035461 k( 89) = ( 0.4268293 0.2950406 0.2893230), wk = 0.0035461 k( 90) = ( 0.4390244 0.2950406 0.2893230), wk = 0.0035461 k( 91) = ( 0.4512195 0.2950406 0.2893230), wk = 0.0035461 k( 92) = ( 0.4634146 0.2950406 0.2893230), wk = 0.0035461 k( 93) = ( 0.4756098 0.2950406 0.2893230), wk = 0.0035461 k( 94) = ( 0.4878049 0.2950406 0.2893230), wk = 0.0035461 k( 95) = ( 0.5000000 0.2950406 0.2893230), wk = 0.0035461 k( 96) = ( 0.5000000 0.2950406 0.2893230), wk = 0.0035461 k( 97) = ( 0.5000000 0.2953435 0.2890141), wk = 0.0035461 k( 98) = ( 0.5000000 0.2953435 0.2890141), wk = 0.0035461 k( 99) = ( 0.5000000 0.2953309 0.2769590), wk = 0.0035461 k( 100) = ( 0.5000000 0.2953183 0.2649038), wk = 0.0035461 k( 101) = ( 0.5000000 0.2953057 0.2528487), wk = 0.0035461 k( 102) = ( 0.5000000 0.2952930 0.2407936), wk = 0.0035461 k( 103) = ( 0.5000000 0.2952804 0.2287384), wk = 0.0035461 k( 104) = ( 0.5000000 0.2952678 0.2166833), wk = 0.0035461 k( 105) = ( 0.5000000 0.2952552 0.2046282), wk = 0.0035461 k( 106) = ( 0.5000000 0.2952425 0.1925731), wk = 0.0035461 k( 107) = ( 0.5000000 0.2952299 0.1805179), wk = 0.0035461 k( 108) = ( 0.5000000 0.2952173 0.1684628), wk = 0.0035461 k( 109) = ( 0.5000000 0.2952047 0.1564077), wk = 0.0035461 k( 110) = ( 0.5000000 0.2951921 0.1443526), wk = 0.0035461 k( 111) = ( 0.5000000 0.2951794 0.1322974), wk = 0.0035461 k( 112) = ( 0.5000000 0.2951668 0.1202423), wk = 0.0035461 k( 113) = ( 0.5000000 0.2951542 0.1081872), wk = 0.0035461 k( 114) = ( 0.5000000 0.2951416 0.0961321), wk = 0.0035461 k( 115) = ( 0.5000000 0.2951289 0.0840769), wk = 0.0035461 k( 116) = ( 0.5000000 0.2951163 0.0720218), wk = 0.0035461 k( 117) = ( 0.5000000 0.2951037 0.0599667), wk = 0.0035461 k( 118) = ( 0.5000000 0.2950911 0.0479115), wk = 0.0035461 k( 119) = ( 0.5000000 0.2950784 0.0358564), wk = 0.0035461 k( 120) = ( 0.5000000 0.2950658 0.0238013), wk = 0.0035461 k( 121) = ( 0.5000000 0.2950532 0.0117462), wk = 0.0035461 k( 122) = ( 0.5000000 0.2950406 -0.0003090), wk = 0.0035461 k( 123) = ( 0.5000000 0.2950406 -0.0003090), wk = 0.0035461 k( 124) = ( 0.4878049 0.2950406 -0.0003090), wk = 0.0035461 k( 125) = ( 0.4756098 0.2950406 -0.0003090), wk = 0.0035461 k( 126) = ( 0.4634146 0.2950406 -0.0003090), wk = 0.0035461 k( 127) = ( 0.4512195 0.2950406 -0.0003090), wk = 0.0035461 k( 128) = ( 0.4390244 0.2950406 -0.0003090), wk = 0.0035461 k( 129) = ( 0.4268293 0.2950406 -0.0003090), wk = 0.0035461 k( 130) = ( 0.4146341 0.2950406 -0.0003090), wk = 0.0035461 k( 131) = ( 0.4024390 0.2950406 -0.0003090), wk = 0.0035461 k( 132) = ( 0.3902439 0.2950406 -0.0003090), wk = 0.0035461 k( 133) = ( 0.3780488 0.2950406 -0.0003090), wk = 0.0035461 k( 134) = ( 0.3658537 0.2950406 -0.0003090), wk = 0.0035461 k( 135) = ( 0.3536585 0.2950406 -0.0003090), wk = 0.0035461 k( 136) = ( 0.3414634 0.2950406 -0.0003090), wk = 0.0035461 k( 137) = ( 0.3292683 0.2950406 -0.0003090), wk = 0.0035461 k( 138) = ( 0.3170732 0.2950406 -0.0003090), wk = 0.0035461 k( 139) = ( 0.3048781 0.2950406 -0.0003090), wk = 0.0035461 k( 140) = ( 0.2926829 0.2950406 -0.0003090), wk = 0.0035461 k( 141) = ( 0.2804878 0.2950406 -0.0003090), wk = 0.0035461 k( 142) = ( 0.2682927 0.2950406 -0.0003090), wk = 0.0035461 k( 143) = ( 0.2560976 0.2950406 -0.0003090), wk = 0.0035461 k( 144) = ( 0.2439024 0.2950406 -0.0003090), wk = 0.0035461 k( 145) = ( 0.2317073 0.2950406 -0.0003090), wk = 0.0035461 k( 146) = ( 0.2195122 0.2950406 -0.0003090), wk = 0.0035461 k( 147) = ( 0.2073171 0.2950406 -0.0003090), wk = 0.0035461 k( 148) = ( 0.1951219 0.2950406 -0.0003090), wk = 0.0035461 k( 149) = ( 0.1829268 0.2950406 -0.0003090), wk = 0.0035461 k( 150) = ( 0.1707317 0.2950406 -0.0003090), wk = 0.0035461 k( 151) = ( 0.1585366 0.2950406 -0.0003090), wk = 0.0035461 k( 152) = ( 0.1463415 0.2950406 -0.0003090), wk = 0.0035461 k( 153) = ( 0.1341463 0.2950406 -0.0003090), wk = 0.0035461 k( 154) = ( 0.1219512 0.2950406 -0.0003090), wk = 0.0035461 k( 155) = ( 0.1097561 0.2950406 -0.0003090), wk = 0.0035461 k( 156) = ( 0.0975610 0.2950406 -0.0003090), wk = 0.0035461 k( 157) = ( 0.0853658 0.2950406 -0.0003090), wk = 0.0035461 k( 158) = ( 0.0731707 0.2950406 -0.0003090), wk = 0.0035461 k( 159) = ( 0.0609756 0.2950406 -0.0003090), wk = 0.0035461 k( 160) = ( 0.0487805 0.2950406 -0.0003090), wk = 0.0035461 k( 161) = ( 0.0365854 0.2950406 -0.0003090), wk = 0.0035461 k( 162) = ( 0.0243902 0.2950406 -0.0003090), wk = 0.0035461 k( 163) = ( 0.0121951 0.2950406 -0.0003090), wk = 0.0035461 k( 164) = ( 0.0000000 0.2950406 -0.0003090), wk = 0.0035461 k( 165) = ( 0.0000000 0.2950406 -0.0003090), wk = 0.0035461 k( 166) = ( 0.0000000 0.2950532 0.0117462), wk = 0.0035461 k( 167) = ( 0.0000000 0.2950658 0.0238013), wk = 0.0035461 k( 168) = ( 0.0000000 0.2950784 0.0358564), wk = 0.0035461 k( 169) = ( 0.0000000 0.2950911 0.0479115), wk = 0.0035461 k( 170) = ( 0.0000000 0.2951037 0.0599667), wk = 0.0035461 k( 171) = ( 0.0000000 0.2951163 0.0720218), wk = 0.0035461 k( 172) = ( 0.0000000 0.2951289 0.0840769), wk = 0.0035461 k( 173) = ( 0.0000000 0.2951416 0.0961321), wk = 0.0035461 k( 174) = ( 0.0000000 0.2951542 0.1081872), wk = 0.0035461 k( 175) = ( 0.0000000 0.2951668 0.1202423), wk = 0.0035461 k( 176) = ( 0.0000000 0.2951794 0.1322974), wk = 0.0035461 k( 177) = ( 0.0000000 0.2951921 0.1443526), wk = 0.0035461 k( 178) = ( 0.0000000 0.2952047 0.1564077), wk = 0.0035461 k( 179) = ( 0.0000000 0.2952173 0.1684628), wk = 0.0035461 k( 180) = ( 0.0000000 0.2952299 0.1805179), wk = 0.0035461 k( 181) = ( 0.0000000 0.2952425 0.1925731), wk = 0.0035461 k( 182) = ( 0.0000000 0.2952552 0.2046282), wk = 0.0035461 k( 183) = ( 0.0000000 0.2952678 0.2166833), wk = 0.0035461 k( 184) = ( 0.0000000 0.2952804 0.2287384), wk = 0.0035461 k( 185) = ( 0.0000000 0.2952930 0.2407936), wk = 0.0035461 k( 186) = ( 0.0000000 0.2953057 0.2528487), wk = 0.0035461 k( 187) = ( 0.0000000 0.2953183 0.2649038), wk = 0.0035461 k( 188) = ( 0.0000000 0.2953309 0.2769590), wk = 0.0035461 k( 189) = ( 0.0000000 0.2953435 0.2890141), wk = 0.0035461 k( 190) = ( 0.5000000 0.2947376 0.2896320), wk = 0.0035461 k( 191) = ( 0.5000000 0.2829481 0.2896320), wk = 0.0035461 k( 192) = ( 0.5000000 0.2711586 0.2896320), wk = 0.0035461 k( 193) = ( 0.5000000 0.2593691 0.2896320), wk = 0.0035461 k( 194) = ( 0.5000000 0.2475796 0.2896320), wk = 0.0035461 k( 195) = ( 0.5000000 0.2357901 0.2896320), wk = 0.0035461 k( 196) = ( 0.5000000 0.2240006 0.2896320), wk = 0.0035461 k( 197) = ( 0.5000000 0.2122111 0.2896320), wk = 0.0035461 k( 198) = ( 0.5000000 0.2004216 0.2896320), wk = 0.0035461 k( 199) = ( 0.5000000 0.1886321 0.2896320), wk = 0.0035461 k( 200) = ( 0.5000000 0.1768426 0.2896320), wk = 0.0035461 k( 201) = ( 0.5000000 0.1650530 0.2896320), wk = 0.0035461 k( 202) = ( 0.5000000 0.1532635 0.2896320), wk = 0.0035461 k( 203) = ( 0.5000000 0.1414740 0.2896320), wk = 0.0035461 k( 204) = ( 0.5000000 0.1296845 0.2896320), wk = 0.0035461 k( 205) = ( 0.5000000 0.1178950 0.2896320), wk = 0.0035461 k( 206) = ( 0.5000000 0.1061055 0.2896320), wk = 0.0035461 k( 207) = ( 0.5000000 0.0943160 0.2896320), wk = 0.0035461 k( 208) = ( 0.5000000 0.0825265 0.2896320), wk = 0.0035461 k( 209) = ( 0.5000000 0.0707370 0.2896320), wk = 0.0035461 k( 210) = ( 0.5000000 0.0589475 0.2896320), wk = 0.0035461 k( 211) = ( 0.5000000 0.0471580 0.2896320), wk = 0.0035461 k( 212) = ( 0.5000000 0.0353685 0.2896320), wk = 0.0035461 k( 213) = ( 0.5000000 0.0235790 0.2896320), wk = 0.0035461 k( 214) = ( 0.5000000 0.0117895 0.2896320), wk = 0.0035461 k( 215) = ( 0.5000000 -0.0000000 0.2896320), wk = 0.0035461 k( 216) = ( 0.5000000 -0.0000000 0.2896320), wk = 0.0035461 k( 217) = ( 0.5000000 -0.0000000 0.2775640), wk = 0.0035461 k( 218) = ( 0.5000000 -0.0000000 0.2654960), wk = 0.0035461 k( 219) = ( 0.5000000 -0.0000000 0.2534280), wk = 0.0035461 k( 220) = ( 0.5000000 -0.0000000 0.2413600), wk = 0.0035461 k( 221) = ( 0.5000000 -0.0000000 0.2292920), wk = 0.0035461 k( 222) = ( 0.5000000 -0.0000000 0.2172240), wk = 0.0035461 k( 223) = ( 0.5000000 -0.0000000 0.2051560), wk = 0.0035461 k( 224) = ( 0.5000000 -0.0000000 0.1930880), wk = 0.0035461 k( 225) = ( 0.5000000 -0.0000000 0.1810200), wk = 0.0035461 k( 226) = ( 0.5000000 -0.0000000 0.1689520), wk = 0.0035461 k( 227) = ( 0.5000000 -0.0000000 0.1568840), wk = 0.0035461 k( 228) = ( 0.5000000 -0.0000000 0.1448160), wk = 0.0035461 k( 229) = ( 0.5000000 -0.0000000 0.1327480), wk = 0.0035461 k( 230) = ( 0.5000000 -0.0000000 0.1206800), wk = 0.0035461 k( 231) = ( 0.5000000 -0.0000000 0.1086120), wk = 0.0035461 k( 232) = ( 0.5000000 -0.0000000 0.0965440), wk = 0.0035461 k( 233) = ( 0.5000000 -0.0000000 0.0844760), wk = 0.0035461 k( 234) = ( 0.5000000 -0.0000000 0.0724080), wk = 0.0035461 k( 235) = ( 0.5000000 -0.0000000 0.0603400), wk = 0.0035461 k( 236) = ( 0.5000000 -0.0000000 0.0482720), wk = 0.0035461 k( 237) = ( 0.5000000 -0.0000000 0.0362040), wk = 0.0035461 k( 238) = ( 0.5000000 -0.0000000 0.0241360), wk = 0.0035461 k( 239) = ( 0.5000000 -0.0000000 0.0120680), wk = 0.0035461 k( 240) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035461 k( 241) = ( 0.0000000 0.0000000 0.2896320), wk = 0.0035461 k( 242) = ( 0.0121951 -0.0000000 0.2896320), wk = 0.0035461 k( 243) = ( 0.0243902 -0.0000000 0.2896320), wk = 0.0035461 k( 244) = ( 0.0365854 -0.0000000 0.2896320), wk = 0.0035461 k( 245) = ( 0.0487805 -0.0000000 0.2896320), wk = 0.0035461 k( 246) = ( 0.0609756 -0.0000000 0.2896320), wk = 0.0035461 k( 247) = ( 0.0731707 -0.0000000 0.2896320), wk = 0.0035461 k( 248) = ( 0.0853658 -0.0000000 0.2896320), wk = 0.0035461 k( 249) = ( 0.0975610 -0.0000000 0.2896320), wk = 0.0035461 k( 250) = ( 0.1097561 -0.0000000 0.2896320), wk = 0.0035461 k( 251) = ( 0.1219512 -0.0000000 0.2896320), wk = 0.0035461 k( 252) = ( 0.1341463 -0.0000000 0.2896320), wk = 0.0035461 k( 253) = ( 0.1463415 -0.0000000 0.2896320), wk = 0.0035461 k( 254) = ( 0.1585366 -0.0000000 0.2896320), wk = 0.0035461 k( 255) = ( 0.1707317 -0.0000000 0.2896320), wk = 0.0035461 k( 256) = ( 0.1829268 -0.0000000 0.2896320), wk = 0.0035461 k( 257) = ( 0.1951219 -0.0000000 0.2896320), wk = 0.0035461 k( 258) = ( 0.2073171 -0.0000000 0.2896320), wk = 0.0035461 k( 259) = ( 0.2195122 -0.0000000 0.2896320), wk = 0.0035461 k( 260) = ( 0.2317073 -0.0000000 0.2896320), wk = 0.0035461 k( 261) = ( 0.2439024 -0.0000000 0.2896320), wk = 0.0035461 k( 262) = ( 0.2560976 -0.0000000 0.2896320), wk = 0.0035461 k( 263) = ( 0.2682927 -0.0000000 0.2896320), wk = 0.0035461 k( 264) = ( 0.2804878 -0.0000000 0.2896320), wk = 0.0035461 k( 265) = ( 0.2926829 -0.0000000 0.2896320), wk = 0.0035461 k( 266) = ( 0.3048781 -0.0000000 0.2896320), wk = 0.0035461 k( 267) = ( 0.3170732 -0.0000000 0.2896320), wk = 0.0035461 k( 268) = ( 0.3292683 -0.0000000 0.2896320), wk = 0.0035461 k( 269) = ( 0.3414634 -0.0000000 0.2896320), wk = 0.0035461 k( 270) = ( 0.3536585 -0.0000000 0.2896320), wk = 0.0035461 k( 271) = ( 0.3658537 -0.0000000 0.2896320), wk = 0.0035461 k( 272) = ( 0.3780488 -0.0000000 0.2896320), wk = 0.0035461 k( 273) = ( 0.3902439 -0.0000000 0.2896320), wk = 0.0035461 k( 274) = ( 0.4024390 -0.0000000 0.2896320), wk = 0.0035461 k( 275) = ( 0.4146341 -0.0000000 0.2896320), wk = 0.0035461 k( 276) = ( 0.4268293 -0.0000000 0.2896320), wk = 0.0035461 k( 277) = ( 0.4390244 -0.0000000 0.2896320), wk = 0.0035461 k( 278) = ( 0.4512195 -0.0000000 0.2896320), wk = 0.0035461 k( 279) = ( 0.4634146 -0.0000000 0.2896320), wk = 0.0035461 k( 280) = ( 0.4756098 -0.0000000 0.2896320), wk = 0.0035461 k( 281) = ( 0.4878049 -0.0000000 0.2896320), wk = 0.0035461 k( 282) = ( 0.5000000 -0.0000000 0.2896320), wk = 0.0035461 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0035461 k( 3) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0035461 k( 4) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0035461 k( 5) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0035461 k( 6) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0035461 k( 7) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035461 k( 8) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0035461 k( 9) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0035461 k( 10) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0035461 k( 11) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0035461 k( 12) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0035461 k( 13) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035461 k( 14) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0035461 k( 15) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0035461 k( 16) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0035461 k( 17) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0035461 k( 18) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0035461 k( 19) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035461 k( 20) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0035461 k( 21) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0035461 k( 22) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0035461 k( 23) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0035461 k( 24) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0035461 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035461 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035461 k( 27) = ( 0.0000000 0.0199795 0.5000213), wk = 0.0035461 k( 28) = ( 0.0000000 0.0399589 0.5000426), wk = 0.0035461 k( 29) = ( 0.0000000 0.0599384 0.5000639), wk = 0.0035461 k( 30) = ( 0.0000000 0.0799178 0.5000853), wk = 0.0035461 k( 31) = ( 0.0000000 0.0998973 0.5001066), wk = 0.0035461 k( 32) = ( 0.0000000 0.1198768 0.5001279), wk = 0.0035461 k( 33) = ( 0.0000000 0.1398562 0.5001492), wk = 0.0035461 k( 34) = ( 0.0000000 0.1598357 0.5001705), wk = 0.0035461 k( 35) = ( 0.0000000 0.1798152 0.5001918), wk = 0.0035461 k( 36) = ( 0.0000000 0.1997946 0.5002131), wk = 0.0035461 k( 37) = ( 0.0000000 0.2197741 0.5002344), wk = 0.0035461 k( 38) = ( 0.0000000 0.2397535 0.5002558), wk = 0.0035461 k( 39) = ( 0.0000000 0.2597330 0.5002771), wk = 0.0035461 k( 40) = ( 0.0000000 0.2797125 0.5002984), wk = 0.0035461 k( 41) = ( 0.0000000 0.2996919 0.5003197), wk = 0.0035461 k( 42) = ( 0.0000000 0.3196714 0.5003410), wk = 0.0035461 k( 43) = ( 0.0000000 0.3396509 0.5003623), wk = 0.0035461 k( 44) = ( 0.0000000 0.3596303 0.5003836), wk = 0.0035461 k( 45) = ( 0.0000000 0.3796098 0.5004049), wk = 0.0035461 k( 46) = ( 0.0000000 0.3995892 0.5004263), wk = 0.0035461 k( 47) = ( 0.0000000 0.4195687 0.5004476), wk = 0.0035461 k( 48) = ( 0.0000000 0.4395482 0.5004689), wk = 0.0035461 k( 49) = ( 0.0000000 0.4595276 0.5004902), wk = 0.0035461 k( 50) = ( 0.0000000 0.4795071 0.5005115), wk = 0.0035461 k( 51) = ( 0.0000000 0.4994865 0.5005328), wk = 0.0035461 k( 52) = ( 0.0000000 0.4994865 0.5005328), wk = 0.0035461 k( 53) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035461 k( 54) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035461 k( 55) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0035461 k( 56) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0035461 k( 57) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0035461 k( 58) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0035461 k( 59) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0035461 k( 60) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0035461 k( 61) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0035461 k( 62) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0035461 k( 63) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0035461 k( 64) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0035461 k( 65) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0035461 k( 66) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0035461 k( 67) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0035461 k( 68) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0035461 k( 69) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0035461 k( 70) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0035461 k( 71) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0035461 k( 72) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0035461 k( 73) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0035461 k( 74) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0035461 k( 75) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0035461 k( 76) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0035461 k( 77) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0035461 k( 78) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0035461 k( 79) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0035461 k( 80) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0035461 k( 81) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0035461 k( 82) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0035461 k( 83) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0035461 k( 84) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0035461 k( 85) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0035461 k( 86) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0035461 k( 87) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0035461 k( 88) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0035461 k( 89) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0035461 k( 90) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0035461 k( 91) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0035461 k( 92) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0035461 k( 93) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0035461 k( 94) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0035461 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 97) = ( 0.5000000 0.5005135 0.4994672), wk = 0.0035461 k( 98) = ( 0.5000000 0.5005135 0.4994672), wk = 0.0035461 k( 99) = ( 0.5000000 0.5004921 0.4786560), wk = 0.0035461 k( 100) = ( 0.5000000 0.5004707 0.4578449), wk = 0.0035461 k( 101) = ( 0.5000000 0.5004493 0.4370338), wk = 0.0035461 k( 102) = ( 0.5000000 0.5004279 0.4162226), wk = 0.0035461 k( 103) = ( 0.5000000 0.5004065 0.3954115), wk = 0.0035461 k( 104) = ( 0.5000000 0.5003851 0.3746004), wk = 0.0035461 k( 105) = ( 0.5000000 0.5003637 0.3537892), wk = 0.0035461 k( 106) = ( 0.5000000 0.5003423 0.3329781), wk = 0.0035461 k( 107) = ( 0.5000000 0.5003209 0.3121670), wk = 0.0035461 k( 108) = ( 0.5000000 0.5002995 0.2913559), wk = 0.0035461 k( 109) = ( 0.5000000 0.5002781 0.2705447), wk = 0.0035461 k( 110) = ( 0.5000000 0.5002567 0.2497336), wk = 0.0035461 k( 111) = ( 0.5000000 0.5002353 0.2289224), wk = 0.0035461 k( 112) = ( 0.5000000 0.5002139 0.2081113), wk = 0.0035461 k( 113) = ( 0.5000000 0.5001925 0.1873002), wk = 0.0035461 k( 114) = ( 0.5000000 0.5001712 0.1664891), wk = 0.0035461 k( 115) = ( 0.5000000 0.5001498 0.1456779), wk = 0.0035461 k( 116) = ( 0.5000000 0.5001284 0.1248668), wk = 0.0035461 k( 117) = ( 0.5000000 0.5001070 0.1040557), wk = 0.0035461 k( 118) = ( 0.5000000 0.5000856 0.0832445), wk = 0.0035461 k( 119) = ( 0.5000000 0.5000642 0.0624334), wk = 0.0035461 k( 120) = ( 0.5000000 0.5000428 0.0416223), wk = 0.0035461 k( 121) = ( 0.5000000 0.5000214 0.0208111), wk = 0.0035461 k( 122) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035461 k( 123) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035461 k( 124) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0035461 k( 125) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0035461 k( 126) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0035461 k( 127) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0035461 k( 128) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0035461 k( 129) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0035461 k( 130) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0035461 k( 131) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0035461 k( 132) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0035461 k( 133) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0035461 k( 134) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0035461 k( 135) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0035461 k( 136) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0035461 k( 137) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0035461 k( 138) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0035461 k( 139) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0035461 k( 140) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0035461 k( 141) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0035461 k( 142) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0035461 k( 143) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0035461 k( 144) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0035461 k( 145) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0035461 k( 146) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0035461 k( 147) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0035461 k( 148) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0035461 k( 149) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0035461 k( 150) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0035461 k( 151) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0035461 k( 152) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0035461 k( 153) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0035461 k( 154) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0035461 k( 155) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0035461 k( 156) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0035461 k( 157) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0035461 k( 158) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0035461 k( 159) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0035461 k( 160) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0035461 k( 161) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0035461 k( 162) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0035461 k( 163) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0035461 k( 164) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035461 k( 165) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035461 k( 166) = ( 0.0000000 0.5000214 0.0208111), wk = 0.0035461 k( 167) = ( 0.0000000 0.5000428 0.0416223), wk = 0.0035461 k( 168) = ( 0.0000000 0.5000642 0.0624334), wk = 0.0035461 k( 169) = ( 0.0000000 0.5000856 0.0832445), wk = 0.0035461 k( 170) = ( 0.0000000 0.5001070 0.1040557), wk = 0.0035461 k( 171) = ( 0.0000000 0.5001284 0.1248668), wk = 0.0035461 k( 172) = ( 0.0000000 0.5001498 0.1456779), wk = 0.0035461 k( 173) = ( 0.0000000 0.5001711 0.1664891), wk = 0.0035461 k( 174) = ( 0.0000000 0.5001925 0.1873002), wk = 0.0035461 k( 175) = ( 0.0000000 0.5002139 0.2081113), wk = 0.0035461 k( 176) = ( 0.0000000 0.5002353 0.2289224), wk = 0.0035461 k( 177) = ( 0.0000000 0.5002567 0.2497336), wk = 0.0035461 k( 178) = ( 0.0000000 0.5002781 0.2705447), wk = 0.0035461 k( 179) = ( 0.0000000 0.5002995 0.2913559), wk = 0.0035461 k( 180) = ( 0.0000000 0.5003209 0.3121670), wk = 0.0035461 k( 181) = ( 0.0000000 0.5003423 0.3329781), wk = 0.0035461 k( 182) = ( 0.0000000 0.5003637 0.3537892), wk = 0.0035461 k( 183) = ( 0.0000000 0.5003851 0.3746004), wk = 0.0035461 k( 184) = ( 0.0000000 0.5004065 0.3954115), wk = 0.0035461 k( 185) = ( 0.0000000 0.5004279 0.4162226), wk = 0.0035461 k( 186) = ( 0.0000000 0.5004493 0.4370338), wk = 0.0035461 k( 187) = ( 0.0000000 0.5004707 0.4578449), wk = 0.0035461 k( 188) = ( 0.0000000 0.5004921 0.4786560), wk = 0.0035461 k( 189) = ( 0.0000000 0.5005135 0.4994672), wk = 0.0035461 k( 190) = ( 0.5000000 0.4994865 0.5005328), wk = 0.0035461 k( 191) = ( 0.5000000 0.4795071 0.5005115), wk = 0.0035461 k( 192) = ( 0.5000000 0.4595276 0.5004902), wk = 0.0035461 k( 193) = ( 0.5000000 0.4395482 0.5004689), wk = 0.0035461 k( 194) = ( 0.5000000 0.4195687 0.5004476), wk = 0.0035461 k( 195) = ( 0.5000000 0.3995892 0.5004263), wk = 0.0035461 k( 196) = ( 0.5000000 0.3796098 0.5004049), wk = 0.0035461 k( 197) = ( 0.5000000 0.3596303 0.5003836), wk = 0.0035461 k( 198) = ( 0.5000000 0.3396509 0.5003623), wk = 0.0035461 k( 199) = ( 0.5000000 0.3196714 0.5003410), wk = 0.0035461 k( 200) = ( 0.5000000 0.2996919 0.5003197), wk = 0.0035461 k( 201) = ( 0.5000000 0.2797125 0.5002984), wk = 0.0035461 k( 202) = ( 0.5000000 0.2597330 0.5002771), wk = 0.0035461 k( 203) = ( 0.5000000 0.2397535 0.5002558), wk = 0.0035461 k( 204) = ( 0.5000000 0.2197741 0.5002344), wk = 0.0035461 k( 205) = ( 0.5000000 0.1997946 0.5002131), wk = 0.0035461 k( 206) = ( 0.5000000 0.1798152 0.5001918), wk = 0.0035461 k( 207) = ( 0.5000000 0.1598357 0.5001705), wk = 0.0035461 k( 208) = ( 0.5000000 0.1398562 0.5001492), wk = 0.0035461 k( 209) = ( 0.5000000 0.1198768 0.5001279), wk = 0.0035461 k( 210) = ( 0.5000000 0.0998973 0.5001066), wk = 0.0035461 k( 211) = ( 0.5000000 0.0799178 0.5000853), wk = 0.0035461 k( 212) = ( 0.5000000 0.0599384 0.5000639), wk = 0.0035461 k( 213) = ( 0.5000000 0.0399589 0.5000426), wk = 0.0035461 k( 214) = ( 0.5000000 0.0199795 0.5000213), wk = 0.0035461 k( 215) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035461 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035461 k( 217) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0035461 k( 218) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0035461 k( 219) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0035461 k( 220) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0035461 k( 221) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0035461 k( 222) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0035461 k( 223) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0035461 k( 224) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0035461 k( 225) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0035461 k( 226) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0035461 k( 227) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0035461 k( 228) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0035461 k( 229) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0035461 k( 230) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0035461 k( 231) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0035461 k( 232) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0035461 k( 233) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0035461 k( 234) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0035461 k( 235) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0035461 k( 236) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0035461 k( 237) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0035461 k( 238) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0035461 k( 239) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0035461 k( 240) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035461 k( 241) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035461 k( 242) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0035461 k( 243) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0035461 k( 244) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0035461 k( 245) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0035461 k( 246) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0035461 k( 247) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0035461 k( 248) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0035461 k( 249) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0035461 k( 250) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0035461 k( 251) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0035461 k( 252) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0035461 k( 253) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0035461 k( 254) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0035461 k( 255) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0035461 k( 256) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0035461 k( 257) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0035461 k( 258) = ( 0.2073171 0.0000000 0.5000000), wk = 0.0035461 k( 259) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0035461 k( 260) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0035461 k( 261) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0035461 k( 262) = ( 0.2560976 -0.0000000 0.5000000), wk = 0.0035461 k( 263) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0035461 k( 264) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0035461 k( 265) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0035461 k( 266) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0035461 k( 267) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0035461 k( 268) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0035461 k( 269) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0035461 k( 270) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0035461 k( 271) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0035461 k( 272) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0035461 k( 273) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0035461 k( 274) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0035461 k( 275) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0035461 k( 276) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0035461 k( 277) = ( 0.4390244 -0.0000000 0.5000000), wk = 0.0035461 k( 278) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0035461 k( 279) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0035461 k( 280) = ( 0.4756098 0.0000000 0.5000000), wk = 0.0035461 k( 281) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0035461 k( 282) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035461 Dense grid: 109303 G-vectors FFT dimensions: ( 45, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.57 Mb ( 776, 48) NL pseudopotentials 1.10 Mb ( 388, 186) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.02 Mb ( 3035) G-vector shells 0.02 Mb ( 2859) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.27 Mb ( 776, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.27 Mb ( 186, 2, 48) The potential is recalculated from file : ./ZrTiTe4.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.6 secs Computing kpt #: 2 total cpu time spent up to now is 7.2 secs Computing kpt #: 3 total cpu time spent up to now is 8.9 secs Computing kpt #: 4 total cpu time spent up to now is 10.6 secs Computing kpt #: 5 total cpu time spent up to now is 12.3 secs Computing kpt #: 6 total cpu time spent up to now is 13.8 secs Computing kpt #: 7 total cpu time spent up to now is 15.6 secs Computing kpt #: 8 total cpu time spent up to now is 17.4 secs Computing kpt #: 9 total cpu time spent up to now is 19.1 secs Computing kpt #: 10 total cpu time spent up to now is 20.9 secs Computing kpt #: 11 total cpu time spent up to now is 22.6 secs Computing kpt #: 12 total cpu time spent up to now is 24.4 secs Computing kpt #: 13 total cpu time spent up to now is 26.2 secs Computing kpt #: 14 total cpu time spent up to now is 28.0 secs Computing kpt #: 15 total cpu time spent up to now is 29.8 secs Computing kpt #: 16 total cpu time spent up to now is 31.6 secs Computing kpt #: 17 total cpu time spent up to now is 33.4 secs Computing kpt #: 18 total cpu time spent up to now is 35.3 secs Computing kpt #: 19 total cpu time spent up to now is 37.3 secs Computing kpt #: 20 total cpu time spent up to now is 39.1 secs Computing kpt #: 21 total cpu time spent up to now is 40.9 secs Computing kpt #: 22 total cpu time spent up to now is 42.7 secs Computing kpt #: 23 total cpu time spent up to now is 44.4 secs Computing kpt #: 24 total cpu time spent up to now is 46.1 secs Computing kpt #: 25 total cpu time spent up to now is 47.4 secs Computing kpt #: 26 total cpu time spent up to now is 48.7 secs Computing kpt #: 27 total cpu time spent up to now is 50.2 secs Computing kpt #: 28 total cpu time spent up to now is 51.9 secs Computing kpt #: 29 total cpu time spent up to now is 53.5 secs Computing kpt #: 30 total cpu time spent up to now is 55.3 secs Computing kpt #: 31 total cpu time spent up to now is 57.0 secs Computing kpt #: 32 total cpu time spent up to now is 58.7 secs Computing kpt #: 33 total cpu time spent up to now is 60.4 secs Computing kpt #: 34 total cpu time spent up to now is 62.1 secs Computing kpt #: 35 total cpu time spent up to now is 63.8 secs Computing kpt #: 36 total cpu time spent up to now is 65.6 secs Computing kpt #: 37 total cpu time spent up to now is 67.3 secs Computing kpt #: 38 total cpu time spent up to now is 69.0 secs Computing kpt #: 39 total cpu time spent up to now is 70.7 secs Computing kpt #: 40 total cpu time spent up to now is 72.4 secs Computing kpt #: 41 total cpu time spent up to now is 74.0 secs Computing kpt #: 42 total cpu time spent up to now is 75.7 secs Computing kpt #: 43 total cpu time spent up to now is 77.4 secs Computing kpt #: 44 total cpu time spent up to now is 79.1 secs Computing kpt #: 45 total cpu time spent up to now is 80.8 secs Computing kpt #: 46 total cpu time spent up to now is 82.6 secs Computing kpt #: 47 total cpu time spent up to now is 84.3 secs Computing kpt #: 48 total cpu time spent up to now is 85.9 secs Computing kpt #: 49 total cpu time spent up to now is 87.7 secs Computing kpt #: 50 total cpu time spent up to now is 89.5 secs Computing kpt #: 51 total cpu time spent up to now is 91.1 secs Computing kpt #: 52 total cpu time spent up to now is 92.7 secs Computing kpt #: 53 total cpu time spent up to now is 94.1 secs Computing kpt #: 54 total cpu time spent up to now is 95.5 secs Computing kpt #: 55 total cpu time spent up to now is 97.3 secs Computing kpt #: 56 total cpu time spent up to now is 99.1 secs Computing kpt #: 57 total cpu time spent up to now is 100.8 secs Computing kpt #: 58 total cpu time spent up to now is 102.5 secs Computing kpt #: 59 total cpu time spent up to now is 104.3 secs Computing kpt #: 60 total cpu time spent up to now is 105.8 secs Computing kpt #: 61 total cpu time spent up to now is 107.4 secs Computing kpt #: 62 total cpu time spent up to now is 109.2 secs Computing kpt #: 63 total cpu time spent up to now is 110.9 secs Computing kpt #: 64 total cpu time spent up to now is 112.7 secs Computing kpt #: 65 total cpu time spent up to now is 114.4 secs Computing kpt #: 66 total cpu time spent up to now is 116.2 secs Computing kpt #: 67 total cpu time spent up to now is 117.9 secs Computing kpt #: 68 total cpu time spent up to now is 119.6 secs Computing kpt #: 69 total cpu time spent up to now is 121.4 secs Computing kpt #: 70 total cpu time spent up to now is 123.1 secs Computing kpt #: 71 total cpu time spent up to now is 124.9 secs Computing kpt #: 72 total cpu time spent up to now is 126.7 secs Computing kpt #: 73 total cpu time spent up to now is 128.4 secs Computing kpt #: 74 total cpu time spent up to now is 130.3 secs Computing kpt #: 75 total cpu time spent up to now is 132.4 secs Computing kpt #: 76 total cpu time spent up to now is 134.5 secs Computing kpt #: 77 total cpu time spent up to now is 136.5 secs Computing kpt #: 78 total cpu time spent up to now is 138.8 secs Computing kpt #: 79 total cpu time spent up to now is 141.1 secs Computing kpt #: 80 total cpu time spent up to now is 143.4 secs Computing kpt #: 81 total cpu time spent up to now is 145.5 secs Computing kpt #: 82 total cpu time spent up to now is 147.0 secs Computing kpt #: 83 total cpu time spent up to now is 148.5 secs Computing kpt #: 84 total cpu time spent up to now is 150.0 secs Computing kpt #: 85 total cpu time spent up to now is 151.5 secs Computing kpt #: 86 total cpu time spent up to now is 153.1 secs Computing kpt #: 87 total cpu time spent up to now is 154.5 secs Computing kpt #: 88 total cpu time spent up to now is 156.0 secs Computing kpt #: 89 total cpu time spent up to now is 157.5 secs Computing kpt #: 90 total cpu time spent up to now is 159.0 secs Computing kpt #: 91 total cpu time spent up to now is 160.5 secs Computing kpt #: 92 total cpu time spent up to now is 162.0 secs Computing kpt #: 93 total cpu time spent up to now is 163.5 secs Computing kpt #: 94 total cpu time spent up to now is 165.2 secs Computing kpt #: 95 total cpu time spent up to now is 167.0 secs Computing kpt #: 96 total cpu time spent up to now is 168.4 secs Computing kpt #: 97 total cpu time spent up to now is 169.8 secs Computing kpt #: 98 total cpu time spent up to now is 171.3 secs Computing kpt #: 99 total cpu time spent up to now is 172.8 secs Computing kpt #: 100 total cpu time spent up to now is 174.3 secs Computing kpt #: 101 total cpu time spent up to now is 175.8 secs Computing kpt #: 102 total cpu time spent up to now is 177.4 secs Computing kpt #: 103 total cpu time spent up to now is 178.9 secs Computing kpt #: 104 total cpu time spent up to now is 180.4 secs Computing kpt #: 105 total cpu time spent up to now is 181.9 secs Computing kpt #: 106 total cpu time spent up to now is 183.3 secs Computing kpt #: 107 total cpu time spent up to now is 184.8 secs Computing kpt #: 108 total cpu time spent up to now is 186.3 secs Computing kpt #: 109 total cpu time spent up to now is 187.8 secs Computing kpt #: 110 total cpu time spent up to now is 189.3 secs Computing kpt #: 111 total cpu time spent up to now is 190.8 secs Computing kpt #: 112 total cpu time spent up to now is 192.3 secs Computing kpt #: 113 total cpu time spent up to now is 193.8 secs Computing kpt #: 114 total cpu time spent up to now is 195.3 secs Computing kpt #: 115 total cpu time spent up to now is 196.8 secs Computing kpt #: 116 total cpu time spent up to now is 198.3 secs Computing kpt #: 117 total cpu time spent up to now is 199.8 secs Computing kpt #: 118 total cpu time spent up to now is 201.3 secs Computing kpt #: 119 total cpu time spent up to now is 202.9 secs Computing kpt #: 120 total cpu time spent up to now is 204.4 secs Computing kpt #: 121 total cpu time spent up to now is 206.0 secs Computing kpt #: 122 total cpu time spent up to now is 207.3 secs Computing kpt #: 123 total cpu time spent up to now is 208.7 secs Computing kpt #: 124 total cpu time spent up to now is 210.1 secs Computing kpt #: 125 total cpu time spent up to now is 211.8 secs Computing kpt #: 126 total cpu time spent up to now is 213.5 secs Computing kpt #: 127 total cpu time spent up to now is 215.3 secs Computing kpt #: 128 total cpu time spent up to now is 216.9 secs Computing kpt #: 129 total cpu time spent up to now is 218.4 secs Computing kpt #: 130 total cpu time spent up to now is 220.0 secs Computing kpt #: 131 total cpu time spent up to now is 221.5 secs Computing kpt #: 132 total cpu time spent up to now is 223.3 secs Computing kpt #: 133 total cpu time spent up to now is 224.9 secs Computing kpt #: 134 total cpu time spent up to now is 226.6 secs Computing kpt #: 135 total cpu time spent up to now is 228.2 secs Computing kpt #: 136 total cpu time spent up to now is 230.0 secs Computing kpt #: 137 total cpu time spent up to now is 231.7 secs Computing kpt #: 138 total cpu time spent up to now is 233.4 secs Computing kpt #: 139 total cpu time spent up to now is 235.1 secs Computing kpt #: 140 total cpu time spent up to now is 236.8 secs Computing kpt #: 141 total cpu time spent up to now is 238.5 secs Computing kpt #: 142 total cpu time spent up to now is 240.2 secs Computing kpt #: 143 total cpu time spent up to now is 242.0 secs Computing kpt #: 144 total cpu time spent up to now is 243.7 secs Computing kpt #: 145 total cpu time spent up to now is 245.5 secs Computing kpt #: 146 total cpu time spent up to now is 247.5 secs Computing kpt #: 147 total cpu time spent up to now is 249.5 secs Computing kpt #: 148 total cpu time spent up to now is 251.3 secs Computing kpt #: 149 total cpu time spent up to now is 253.1 secs Computing kpt #: 150 total cpu time spent up to now is 255.3 secs Computing kpt #: 151 total cpu time spent up to now is 257.4 secs Computing kpt #: 152 total cpu time spent up to now is 259.5 secs Computing kpt #: 153 total cpu time spent up to now is 261.7 secs Computing kpt #: 154 total cpu time spent up to now is 263.4 secs Computing kpt #: 155 total cpu time spent up to now is 265.5 secs Computing kpt #: 156 total cpu time spent up to now is 268.1 secs Computing kpt #: 157 total cpu time spent up to now is 270.2 secs Computing kpt #: 158 total cpu time spent up to now is 272.3 secs Computing kpt #: 159 total cpu time spent up to now is 274.2 secs Computing kpt #: 160 total cpu time spent up to now is 276.2 secs Computing kpt #: 161 total cpu time spent up to now is 278.0 secs Computing kpt #: 162 total cpu time spent up to now is 279.8 secs Computing kpt #: 163 total cpu time spent up to now is 281.5 secs Computing kpt #: 164 total cpu time spent up to now is 283.0 secs Computing kpt #: 165 total cpu time spent up to now is 284.4 secs Computing kpt #: 166 total cpu time spent up to now is 286.2 secs Computing kpt #: 167 total cpu time spent up to now is 288.0 secs Computing kpt #: 168 total cpu time spent up to now is 289.7 secs Computing kpt #: 169 total cpu time spent up to now is 291.5 secs Computing kpt #: 170 total cpu time spent up to now is 293.3 secs Computing kpt #: 171 total cpu time spent up to now is 295.3 secs Computing kpt #: 172 total cpu time spent up to now is 297.2 secs Computing kpt #: 173 total cpu time spent up to now is 299.0 secs Computing kpt #: 174 total cpu time spent up to now is 300.8 secs Computing kpt #: 175 total cpu time spent up to now is 303.0 secs Computing kpt #: 176 total cpu time spent up to now is 305.2 secs Computing kpt #: 177 total cpu time spent up to now is 307.3 secs Computing kpt #: 178 total cpu time spent up to now is 309.4 secs Computing kpt #: 179 total cpu time spent up to now is 311.5 secs Computing kpt #: 180 total cpu time spent up to now is 313.5 secs Computing kpt #: 181 total cpu time spent up to now is 315.5 secs Computing kpt #: 182 total cpu time spent up to now is 317.5 secs Computing kpt #: 183 total cpu time spent up to now is 319.4 secs Computing kpt #: 184 total cpu time spent up to now is 321.3 secs Computing kpt #: 185 total cpu time spent up to now is 323.2 secs Computing kpt #: 186 total cpu time spent up to now is 325.1 secs Computing kpt #: 187 total cpu time spent up to now is 326.9 secs Computing kpt #: 188 total cpu time spent up to now is 328.5 secs Computing kpt #: 189 total cpu time spent up to now is 329.9 secs Computing kpt #: 190 total cpu time spent up to now is 331.3 secs Computing kpt #: 191 total cpu time spent up to now is 332.8 secs Computing kpt #: 192 total cpu time spent up to now is 334.3 secs Computing kpt #: 193 total cpu time spent up to now is 335.8 secs Computing kpt #: 194 total cpu time spent up to now is 337.3 secs Computing kpt #: 195 total cpu time spent up to now is 338.8 secs Computing kpt #: 196 total cpu time spent up to now is 340.3 secs Computing kpt #: 197 total cpu time spent up to now is 341.8 secs Computing kpt #: 198 total cpu time spent up to now is 343.3 secs Computing kpt #: 199 total cpu time spent up to now is 344.8 secs Computing kpt #: 200 total cpu time spent up to now is 346.4 secs Computing kpt #: 201 total cpu time spent up to now is 347.9 secs Computing kpt #: 202 total cpu time spent up to now is 349.4 secs Computing kpt #: 203 total cpu time spent up to now is 351.0 secs Computing kpt #: 204 total cpu time spent up to now is 352.5 secs Computing kpt #: 205 total cpu time spent up to now is 354.0 secs Computing kpt #: 206 total cpu time spent up to now is 355.6 secs Computing kpt #: 207 total cpu time spent up to now is 357.1 secs Computing kpt #: 208 total cpu time spent up to now is 358.7 secs Computing kpt #: 209 total cpu time spent up to now is 360.2 secs Computing kpt #: 210 total cpu time spent up to now is 361.7 secs Computing kpt #: 211 total cpu time spent up to now is 363.3 secs Computing kpt #: 212 total cpu time spent up to now is 364.8 secs Computing kpt #: 213 total cpu time spent up to now is 366.4 secs Computing kpt #: 214 total cpu time spent up to now is 367.9 secs Computing kpt #: 215 total cpu time spent up to now is 369.5 secs Computing kpt #: 216 total cpu time spent up to now is 371.1 secs Computing kpt #: 217 total cpu time spent up to now is 372.7 secs Computing kpt #: 218 total cpu time spent up to now is 374.3 secs Computing kpt #: 219 total cpu time spent up to now is 375.8 secs Computing kpt #: 220 total cpu time spent up to now is 377.5 secs Computing kpt #: 221 total cpu time spent up to now is 379.1 secs Computing kpt #: 222 total cpu time spent up to now is 380.7 secs Computing kpt #: 223 total cpu time spent up to now is 382.4 secs Computing kpt #: 224 total cpu time spent up to now is 384.1 secs Computing kpt #: 225 total cpu time spent up to now is 385.8 secs Computing kpt #: 226 total cpu time spent up to now is 387.7 secs Computing kpt #: 227 total cpu time spent up to now is 389.5 secs Computing kpt #: 228 total cpu time spent up to now is 391.2 secs Computing kpt #: 229 total cpu time spent up to now is 392.9 secs Computing kpt #: 230 total cpu time spent up to now is 394.6 secs Computing kpt #: 231 total cpu time spent up to now is 396.3 secs Computing kpt #: 232 total cpu time spent up to now is 398.0 secs Computing kpt #: 233 total cpu time spent up to now is 399.8 secs Computing kpt #: 234 total cpu time spent up to now is 401.5 secs Computing kpt #: 235 total cpu time spent up to now is 403.3 secs Computing kpt #: 236 total cpu time spent up to now is 405.0 secs Computing kpt #: 237 total cpu time spent up to now is 406.6 secs Computing kpt #: 238 total cpu time spent up to now is 408.4 secs Computing kpt #: 239 total cpu time spent up to now is 410.1 secs Computing kpt #: 240 total cpu time spent up to now is 411.5 secs Computing kpt #: 241 total cpu time spent up to now is 412.8 secs Computing kpt #: 242 total cpu time spent up to now is 414.3 secs Computing kpt #: 243 total cpu time spent up to now is 416.1 secs Computing kpt #: 244 total cpu time spent up to now is 417.9 secs Computing kpt #: 245 total cpu time spent up to now is 419.6 secs Computing kpt #: 246 total cpu time spent up to now is 421.4 secs Computing kpt #: 247 total cpu time spent up to now is 423.2 secs Computing kpt #: 248 total cpu time spent up to now is 425.0 secs Computing kpt #: 249 total cpu time spent up to now is 426.9 secs Computing kpt #: 250 total cpu time spent up to now is 428.7 secs Computing kpt #: 251 total cpu time spent up to now is 430.6 secs Computing kpt #: 252 total cpu time spent up to now is 432.4 secs Computing kpt #: 253 total cpu time spent up to now is 434.5 secs Computing kpt #: 254 total cpu time spent up to now is 436.6 secs Computing kpt #: 255 total cpu time spent up to now is 438.6 secs Computing kpt #: 256 total cpu time spent up to now is 440.5 secs Computing kpt #: 257 total cpu time spent up to now is 442.5 secs Computing kpt #: 258 total cpu time spent up to now is 444.7 secs Computing kpt #: 259 total cpu time spent up to now is 446.8 secs Computing kpt #: 260 total cpu time spent up to now is 449.3 secs Computing kpt #: 261 total cpu time spent up to now is 451.4 secs Computing kpt #: 262 total cpu time spent up to now is 453.5 secs Computing kpt #: 263 total cpu time spent up to now is 455.6 secs Computing kpt #: 264 total cpu time spent up to now is 457.8 secs Computing kpt #: 265 total cpu time spent up to now is 459.6 secs Computing kpt #: 266 total cpu time spent up to now is 461.7 secs Computing kpt #: 267 total cpu time spent up to now is 463.5 secs Computing kpt #: 268 total cpu time spent up to now is 465.8 secs Computing kpt #: 269 total cpu time spent up to now is 467.6 secs Computing kpt #: 270 total cpu time spent up to now is 469.2 secs Computing kpt #: 271 total cpu time spent up to now is 470.7 secs Computing kpt #: 272 total cpu time spent up to now is 472.3 secs Computing kpt #: 273 total cpu time spent up to now is 473.8 secs Computing kpt #: 274 total cpu time spent up to now is 475.4 secs Computing kpt #: 275 total cpu time spent up to now is 476.9 secs Computing kpt #: 276 total cpu time spent up to now is 478.5 secs Computing kpt #: 277 total cpu time spent up to now is 480.0 secs Computing kpt #: 278 total cpu time spent up to now is 481.5 secs Computing kpt #: 279 total cpu time spent up to now is 483.1 secs Computing kpt #: 280 total cpu time spent up to now is 484.6 secs Computing kpt #: 281 total cpu time spent up to now is 486.1 secs Computing kpt #: 282 total cpu time spent up to now is 487.8 secs ethr = 2.50E-08, avg # of iterations = 45.0 total cpu time spent up to now is 487.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13685 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -5.0724 -5.0724 -3.5238 -3.5238 -3.3645 -3.3645 -3.3530 -3.3530 2.1382 2.1382 2.3106 2.3106 3.6829 3.6829 4.5745 4.5745 4.7948 4.7948 4.8693 4.8693 5.1702 5.1702 5.3426 5.3426 6.1138 6.1138 7.2289 7.2289 7.4387 7.4387 7.7219 7.7219 7.7738 7.7738 7.9855 7.9855 8.2789 8.2789 8.4819 8.4819 k = 0.0000 0.0000 0.0121 ( 13679 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -5.0712 -5.0712 -3.5238 -3.5238 -3.3837 -3.3837 -3.3361 -3.3361 2.1401 2.1401 2.3144 2.3144 3.6834 3.6834 4.5599 4.5599 4.8029 4.8029 4.8737 4.8737 5.1703 5.1703 5.3428 5.3428 6.1142 6.1142 7.2217 7.2217 7.4390 7.4390 7.7190 7.7190 7.7708 7.7708 7.9846 7.9846 8.2808 8.2808 8.4816 8.4816 k = 0.0000 0.0000 0.0241 ( 13695 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -5.0677 -5.0677 -3.5239 -3.5239 -3.4096 -3.4096 -3.3170 -3.3170 2.1458 2.1458 2.3258 2.3258 3.6848 3.6848 4.5230 4.5230 4.8170 4.8170 4.8897 4.8897 5.1711 5.1711 5.3435 5.3435 6.1154 6.1154 7.2001 7.2001 7.4400 7.4400 7.7070 7.7070 7.7651 7.7651 7.9821 7.9821 8.2863 8.2863 8.4809 8.4809 k = 0.0000 0.0000 0.0362 ( 13692 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -5.0617 -5.0617 -3.5248 -3.5248 -3.4371 -3.4371 -3.3000 -3.3000 2.1549 2.1549 2.3449 2.3449 3.6873 3.6873 4.4742 4.4742 4.8247 4.8247 4.9177 4.9177 5.1740 5.1740 5.3453 5.3453 6.1174 6.1174 7.1650 7.1650 7.4415 7.4415 7.6800 7.6800 7.7627 7.7627 7.9785 7.9785 8.2945 8.2945 8.4804 8.4804 k = 0.0000 0.0000 0.0483 ( 13690 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -5.0534 -5.0534 -3.5286 -3.5286 -3.4637 -3.4637 -3.2854 -3.2854 2.1674 2.1674 2.3719 2.3719 3.6907 3.6907 4.4194 4.4194 4.8258 4.8258 4.9490 4.9490 5.1817 5.1817 5.3489 5.3489 6.1204 6.1204 7.1170 7.1170 7.4435 7.4435 7.6380 7.6380 7.7644 7.7644 7.9741 7.9741 8.3041 8.3041 8.4805 8.4805 k = 0.0000 0.0000 0.0603 ( 13692 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -5.0428 -5.0428 -3.5410 -3.5410 -3.4836 -3.4836 -3.2730 -3.2730 2.1828 2.1828 2.4066 2.4066 3.6951 3.6951 4.3613 4.3613 4.8224 4.8224 4.9743 4.9743 5.1976 5.1976 5.3554 5.3554 6.1243 6.1243 7.0570 7.0570 7.4457 7.4457 7.5845 7.5845 7.7676 7.7676 7.9692 7.9692 8.3139 8.3139 8.4819 8.4819 k = 0.0000 0.0000 0.0724 ( 13686 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -5.0298 -5.0298 -3.5669 -3.5669 -3.4918 -3.4918 -3.2629 -3.2629 2.2010 2.2010 2.4491 2.4491 3.7004 3.7004 4.3015 4.3015 4.8153 4.8153 4.9889 4.9889 5.2232 5.2232 5.3667 5.3667 6.1294 6.1294 6.9856 6.9856 7.4469 7.4469 7.5238 7.5238 7.7705 7.7705 7.9638 7.9638 8.3233 8.3233 8.4845 8.4845 k = 0.0000 0.0000 0.0845 ( 13692 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -5.0145 -5.0145 -3.6019 -3.6019 -3.4925 -3.4925 -3.2549 -3.2549 2.2218 2.2218 2.4991 2.4991 3.7065 3.7065 4.2410 4.2410 4.8041 4.8041 4.9935 4.9935 5.2546 5.2546 5.3861 5.3861 6.1359 6.1359 6.9033 6.9033 7.4338 7.4338 7.4720 7.4720 7.7716 7.7716 7.9577 7.9577 8.3318 8.3318 8.4882 8.4882 k = 0.0000 0.0000 0.0965 ( 13698 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.9970 -4.9970 -3.6416 -3.6416 -3.4900 -3.4900 -3.2489 -3.2489 2.2452 2.2452 2.5560 2.5560 3.7130 3.7130 4.1808 4.1808 4.7882 4.7882 4.9918 4.9918 5.2845 5.2845 5.4175 5.4175 6.1438 6.1438 6.8107 6.8107 7.3733 7.3733 7.4645 7.4645 7.7699 7.7699 7.9508 7.9508 8.3393 8.3393 8.4927 8.4927 k = 0.0000 0.0000 0.1086 ( 13693 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.9772 -4.9772 -3.6843 -3.6843 -3.4859 -3.4859 -3.2447 -3.2447 2.2710 2.2710 2.6195 2.6195 3.7192 3.7192 4.1222 4.1222 4.7671 4.7671 4.9877 4.9877 5.3082 5.3082 5.4628 5.4628 6.1535 6.1535 6.7083 6.7083 7.3011 7.3011 7.4676 7.4676 7.7640 7.7640 7.9427 7.9427 8.3464 8.3464 8.4976 8.4976 k = 0.0000 0.0000 0.1207 ( 13690 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.9551 -4.9551 -3.7291 -3.7291 -3.4808 -3.4808 -3.2422 -3.2422 2.2994 2.2994 2.6887 2.6887 3.7240 3.7240 4.0671 4.0671 4.7406 4.7406 4.9834 4.9834 5.3262 5.3262 5.5190 5.5190 6.1653 6.1653 6.5971 6.5971 7.2275 7.2275 7.4723 7.4723 7.7531 7.7531 7.9335 7.9335 8.3532 8.3532 8.5024 8.5024 k = 0.0000 0.0000 0.1327 ( 13690 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.9310 -4.9310 -3.7757 -3.7757 -3.4750 -3.4750 -3.2412 -3.2412 2.3302 2.3302 2.7629 2.7629 3.7248 3.7248 4.0185 4.0185 4.7092 4.7092 4.9800 4.9800 5.3408 5.3408 5.5822 5.5822 6.1795 6.1795 6.4781 6.4781 7.1546 7.1546 7.4776 7.4776 7.7361 7.7361 7.9230 7.9230 8.3602 8.3602 8.5070 8.5070 k = 0.0000 0.0000 0.1448 ( 13692 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.9046 -4.9046 -3.8236 -3.8236 -3.4686 -3.4686 -3.2417 -3.2417 2.3634 2.3634 2.8409 2.8409 3.7181 3.7181 3.9812 3.9812 4.6738 4.6738 4.9780 4.9780 5.3537 5.3537 5.6495 5.6495 6.1961 6.1961 6.3530 6.3530 7.0830 7.0830 7.4831 7.4831 7.7124 7.7124 7.9117 7.9117 8.3676 8.3676 8.5112 8.5112 k = 0.0000 0.0000 0.1569 ( 13703 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.8763 -4.8763 -3.8728 -3.8728 -3.4617 -3.4617 -3.2434 -3.2434 2.3989 2.3989 2.9213 2.9213 3.6999 3.6999 3.9603 3.9603 4.6354 4.6354 4.9773 4.9773 5.3656 5.3656 5.7186 5.7186 6.1999 6.1999 6.2389 6.2389 7.0132 7.0132 7.4884 7.4884 7.6815 7.6815 7.8997 7.8997 8.3754 8.3754 8.5151 8.5151 k = 0.0000 0.0000 0.1690 ( 13692 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.8459 -4.8459 -3.9227 -3.9227 -3.4544 -3.4544 -3.2462 -3.2462 2.4368 2.4368 3.0019 3.0019 3.6703 3.6703 3.9575 3.9575 4.5948 4.5948 4.9775 4.9775 5.3769 5.3769 5.7881 5.7881 6.0802 6.0802 6.2488 6.2488 6.9455 6.9455 7.4927 7.4927 7.6439 7.6439 7.8876 7.8876 8.3835 8.3835 8.5186 8.5186 k = 0.0000 0.0000 0.1810 ( 13693 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.8136 -4.8136 -3.9733 -3.9733 -3.4468 -3.4468 -3.2499 -3.2499 2.4768 2.4768 3.0792 3.0792 3.6348 3.6348 3.9703 3.9703 4.5533 4.5533 4.9785 4.9785 5.3875 5.3875 5.8551 5.8551 5.9433 5.9433 6.2797 6.2797 6.8801 6.8801 7.4936 7.4936 7.6018 7.6018 7.8756 7.8756 8.3917 8.3917 8.5219 8.5219 k = 0.0000 0.0000 0.1931 ( 13693 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.7795 -4.7795 -4.0242 -4.0242 -3.4391 -3.4391 -3.2544 -3.2544 2.5189 2.5189 3.1476 3.1476 3.6017 3.6017 3.9954 3.9954 4.5119 4.5119 4.9799 4.9799 5.3973 5.3973 5.7984 5.7984 5.9248 5.9248 6.3182 6.3182 6.8170 6.8170 7.4828 7.4828 7.5639 7.5639 7.8640 7.8640 8.3998 8.3998 8.5250 8.5250 k = 0.0000 0.0000 0.2052 ( 13686 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.7437 -4.7437 -4.0752 -4.0752 -3.4313 -3.4313 -3.2594 -3.2594 2.5629 2.5629 3.1977 3.1977 3.5818 3.5818 4.0304 4.0304 4.4719 4.4719 4.9816 4.9816 5.4060 5.4060 5.6571 5.6571 5.9860 5.9860 6.3646 6.3646 6.7566 6.7566 7.4447 7.4447 7.5462 7.5462 7.8530 7.8530 8.4075 8.4075 8.5279 8.5279 k = 0.0000 0.0000 0.2172 ( 13689 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.7063 -4.7063 -4.1260 -4.1260 -3.4236 -3.4236 -3.2649 -3.2649 2.6086 2.6086 3.2191 3.2191 3.5853 3.5853 4.0737 4.0737 4.4354 4.4354 4.9833 4.9833 5.4118 5.4118 5.5169 5.5169 6.0432 6.0432 6.4188 6.4188 6.6993 6.6993 7.3846 7.3846 7.5443 7.5443 7.8428 7.8428 8.4146 8.4146 8.5307 8.5307 k = 0.0000 0.0000 0.2293 ( 13677 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.6677 -4.6677 -4.1763 -4.1763 -3.4162 -3.4162 -3.2704 -3.2704 2.6554 2.6554 3.2099 3.2099 3.6129 3.6129 4.1228 4.1228 4.4063 4.4063 4.9848 4.9848 5.3635 5.3635 5.4308 5.4308 6.0956 6.0956 6.4791 6.4791 6.6468 6.6468 7.3142 7.3142 7.5472 7.5472 7.8335 7.8335 8.4209 8.4209 8.5332 8.5332 k = 0.0000 0.0000 0.2414 ( 13676 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.6280 -4.6280 -4.2256 -4.2256 -3.4094 -3.4094 -3.2758 -3.2758 2.7028 2.7028 3.1797 3.1797 3.6535 3.6535 4.1703 4.1703 4.3934 4.3934 4.9858 4.9858 5.2294 5.2294 5.4319 5.4319 6.1433 6.1433 6.5330 6.5330 6.6107 6.6107 7.2380 7.2380 7.5511 7.5511 7.8255 7.8255 8.4262 8.4262 8.5354 8.5354 k = 0.0000 0.0000 0.2534 ( 13680 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.5880 -4.5880 -4.2730 -4.2730 -3.4035 -3.4035 -3.2806 -3.2806 2.7496 2.7496 3.1396 3.1396 3.6952 3.6952 4.2011 4.2011 4.4128 4.4128 4.9847 4.9847 5.0967 5.0967 5.4360 5.4360 6.1867 6.1867 6.5247 6.5247 6.6460 6.6460 7.1584 7.1584 7.5550 7.5550 7.8189 7.8189 8.4304 8.4304 8.5373 8.5373 k = 0.0000 0.0000 0.2655 ( 13687 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.5494 -4.5494 -4.3172 -4.3172 -3.3989 -3.3989 -3.2846 -3.2846 2.7931 2.7931 3.0981 3.0981 3.7300 3.7300 4.2081 4.2081 4.4713 4.4713 4.9509 4.9509 5.0026 5.0026 5.4393 5.4393 6.2249 6.2249 6.4878 6.4878 6.7184 6.7184 7.0776 7.0776 7.5581 7.5581 7.8140 7.8140 8.4335 8.4335 8.5388 8.5388 k = 0.0000 0.0000 0.2776 ( 13688 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.5164 -4.5164 -4.3535 -4.3535 -3.3958 -3.3958 -3.2871 -3.2871 2.8277 2.8277 3.0639 3.0639 3.7529 3.7529 4.2044 4.2044 4.5502 4.5502 4.8450 4.8450 4.9945 4.9945 5.4413 5.4413 6.2542 6.2542 6.4570 6.4570 6.7927 6.7927 7.0004 7.0004 7.5601 7.5601 7.8109 7.8109 8.4353 8.4353 8.5397 8.5397 k = 0.0000 0.0000 0.2896 ( 13688 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.5014 -4.5014 -4.3695 -4.3695 -3.3948 -3.3948 -3.2880 -3.2880 2.8420 2.8420 3.0497 3.0497 3.7609 3.7609 4.2020 4.2020 4.6004 4.6004 4.7847 4.7847 4.9939 4.9939 5.4420 5.4420 6.2661 6.2661 6.4444 6.4444 6.8374 6.8374 6.9549 6.9549 7.5608 7.5608 7.8099 7.8099 8.4359 8.4359 8.5400 8.5400 k = 0.0000 0.0000 0.2896 ( 13688 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.5014 -4.5014 -4.3695 -4.3695 -3.3948 -3.3948 -3.2880 -3.2880 2.8420 2.8420 3.0497 3.0497 3.7609 3.7609 4.2020 4.2020 4.6004 4.6004 4.7847 4.7847 4.9939 4.9939 5.4420 5.4420 6.2661 6.2661 6.4444 6.4444 6.8374 6.8374 6.9549 6.9549 7.5608 7.5608 7.8099 7.8099 8.4359 8.4359 8.5400 8.5400 k = 0.0000 0.0118 0.2896 ( 13676 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.5006 -4.5006 -4.3688 -4.3688 -3.3960 -3.3960 -3.2893 -3.2893 2.8434 2.8434 3.0508 3.0508 3.7628 3.7628 4.2031 4.2031 4.5965 4.5965 4.7867 4.7867 4.9937 4.9937 5.4421 5.4421 6.2643 6.2643 6.4455 6.4455 6.8213 6.8213 6.9700 6.9700 7.5584 7.5584 7.8099 7.8099 8.4370 8.4370 8.5410 8.5410 k = 0.0000 0.0236 0.2896 ( 13669 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4983 -4.4983 -4.3666 -4.3666 -3.3995 -3.3995 -3.2931 -3.2931 2.8478 2.8478 3.0542 3.0542 3.7684 3.7684 4.2066 4.2066 4.5857 4.5857 4.7924 4.7924 4.9933 4.9933 5.4425 5.4425 6.2591 6.2591 6.4486 6.4486 6.7864 6.7864 7.0020 7.0020 7.5514 7.5514 7.8100 7.8100 8.4400 8.4400 8.5438 8.5438 k = 0.0000 0.0354 0.2896 ( 13682 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4945 -4.4945 -4.3628 -4.3628 -3.4053 -3.4053 -3.2994 -3.2994 2.8550 2.8550 3.0599 3.0599 3.7778 3.7778 4.2122 4.2122 4.5693 4.5693 4.8002 4.8002 4.9927 4.9927 5.4431 5.4431 6.2510 6.2510 6.4531 6.4531 6.7457 6.7457 7.0377 7.0377 7.5403 7.5403 7.8100 7.8100 8.4448 8.4448 8.5486 8.5486 k = 0.0000 0.0472 0.2896 ( 13692 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4891 -4.4891 -4.3576 -4.3576 -3.4133 -3.4133 -3.3081 -3.3081 2.8649 2.8649 3.0678 3.0678 3.7907 3.7907 4.2199 4.2199 4.5489 4.5489 4.8089 4.8089 4.9918 4.9918 5.4439 5.4439 6.2405 6.2405 6.4581 6.4581 6.7040 6.7040 7.0723 7.0723 7.5258 7.5258 7.8099 7.8099 8.4514 8.4514 8.5553 8.5553 k = 0.0000 0.0589 0.2896 ( 13699 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4823 -4.4823 -4.3510 -4.3510 -3.4236 -3.4236 -3.3192 -3.3192 2.8775 2.8775 3.0779 3.0779 3.8069 3.8069 4.2294 4.2294 4.5260 4.5260 4.8175 4.8175 4.9907 4.9907 5.4447 5.4447 6.2282 6.2282 6.4624 6.4624 6.6635 6.6635 7.1031 7.1031 7.5092 7.5092 7.8096 7.8096 8.4593 8.4593 8.5638 8.5638 k = 0.0000 0.0707 0.2896 ( 13710 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4740 -4.4740 -4.3429 -4.3429 -3.4359 -3.4359 -3.3326 -3.3326 2.8926 2.8926 3.0900 3.0900 3.8261 3.8261 4.2404 4.2404 4.5016 4.5016 4.8252 4.8252 4.9895 4.9895 5.4454 5.4454 6.2146 6.2146 6.4650 6.4650 6.6262 6.6262 7.1281 7.1281 7.4921 7.4921 7.8091 7.8091 8.4684 8.4684 8.5740 8.5740 k = 0.0000 0.0825 0.2896 ( 13706 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4643 -4.4643 -4.3334 -4.3334 -3.4503 -3.4503 -3.3481 -3.3481 2.9099 2.9099 3.1042 3.1042 3.8478 3.8478 4.2522 4.2522 4.4772 4.4772 4.8319 4.8319 4.9883 4.9883 5.4458 5.4458 6.1998 6.1998 6.4640 6.4640 6.5938 6.5938 7.1450 7.1450 7.4766 7.4766 7.8084 7.8084 8.4784 8.4784 8.5860 8.5860 k = 0.0000 0.0943 0.2896 ( 13708 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4532 -4.4532 -4.3225 -4.3225 -3.4664 -3.4664 -3.3656 -3.3656 2.9291 2.9291 3.1204 3.1204 3.8715 3.8715 4.2638 4.2638 4.4542 4.4542 4.8374 4.8374 4.9870 4.9870 5.4459 5.4459 6.1839 6.1839 6.4579 6.4579 6.5685 6.5685 7.1513 7.1513 7.4651 7.4651 7.8076 7.8076 8.4889 8.4890 8.5996 8.5996 k = 0.0000 0.1061 0.2896 ( 13705 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4408 -4.4408 -4.3103 -4.3103 -3.4843 -3.4843 -3.3849 -3.3849 2.9499 2.9499 3.1387 3.1387 3.8965 3.8965 4.2729 4.2729 4.4350 4.4350 4.8421 4.8421 4.9859 4.9859 5.4456 5.4456 6.1669 6.1669 6.4460 6.4460 6.5513 6.5513 7.1453 7.1453 7.4596 7.4596 7.8068 7.8068 8.4999 8.4999 8.6146 8.6146 k = 0.0000 0.1179 0.2896 ( 13699 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4272 -4.4272 -4.2968 -4.2968 -3.5037 -3.5037 -3.4060 -3.4060 2.9718 2.9718 3.1593 3.1593 3.9220 3.9220 4.2764 4.2764 4.4230 4.4230 4.8463 4.8463 4.9848 4.9848 5.4448 5.4448 6.1488 6.1488 6.4300 6.4300 6.5403 6.5403 7.1268 7.1268 7.4604 7.4604 7.8061 7.8061 8.5110 8.5110 8.6310 8.6310 k = 0.0000 0.1297 0.2896 ( 13701 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4124 -4.4124 -4.2820 -4.2820 -3.5246 -3.5246 -3.4285 -3.4285 2.9944 2.9944 3.1822 3.1822 3.9468 3.9468 4.2709 4.2709 4.4218 4.4218 4.8507 4.8507 4.9840 4.9840 5.4433 5.4433 6.1295 6.1295 6.4131 6.4131 6.5327 6.5327 7.0976 7.0976 7.4662 7.4662 7.8056 7.8056 8.5222 8.5222 8.6486 8.6486 k = 0.0000 0.1415 0.2896 ( 13693 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.3966 -4.3966 -4.2662 -4.2662 -3.5465 -3.5465 -3.4523 -3.4523 3.0172 3.0172 3.2076 3.2076 3.9699 3.9699 4.2565 4.2565 4.4312 4.4312 4.8562 4.8562 4.9835 4.9835 5.4414 5.4414 6.1092 6.1092 6.3978 6.3978 6.5256 6.5256 7.0602 7.0602 7.4751 7.4751 7.8056 7.8056 8.5331 8.5331 8.6672 8.6672 k = 0.0000 0.1533 0.2896 ( 13698 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.3798 -4.3798 -4.2492 -4.2492 -3.5695 -3.5695 -3.4772 -3.4772 3.0396 3.0396 3.2355 3.2355 3.9902 3.9902 4.2358 4.2358 4.4483 4.4483 4.8635 4.8635 4.9833 4.9833 5.4389 5.4389 6.0880 6.0880 6.3851 6.3851 6.5176 6.5176 7.0170 7.0170 7.4853 7.4853 7.8060 7.8060 8.5438 8.5438 8.6866 8.6866 k = 0.0000 0.1651 0.2896 ( 13692 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.3622 -4.3622 -4.2313 -4.2313 -3.5932 -3.5932 -3.5030 -3.5030 3.0613 3.0613 3.2660 3.2660 4.0067 4.0067 4.2117 4.2117 4.4701 4.4701 4.8737 4.8737 4.9836 4.9836 5.4360 5.4360 6.0665 6.0665 6.3751 6.3751 6.5078 6.5078 6.9704 6.9704 7.4957 7.4957 7.8069 7.8069 8.5540 8.5540 8.7066 8.7067 k = 0.0000 0.1768 0.2896 ( 13684 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.3439 -4.3439 -4.2126 -4.2126 -3.6174 -3.6174 -3.5293 -3.5293 3.0820 3.0820 3.2991 3.2991 4.0185 4.0185 4.1859 4.1859 4.4944 4.4944 4.8874 4.8874 4.9846 4.9846 5.4329 5.4329 6.0451 6.0451 6.3673 6.3673 6.4955 6.4955 6.9224 6.9224 7.5055 7.5055 7.8083 7.8083 8.5636 8.5636 8.7270 8.7270 k = 0.0000 0.1886 0.2896 ( 13679 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.3253 -4.3253 -4.1933 -4.1933 -3.6418 -3.6418 -3.5560 -3.5560 3.1013 3.1013 3.3343 3.3343 4.0254 4.0254 4.1591 4.1591 4.5197 4.5197 4.9047 4.9047 4.9864 4.9864 5.4299 5.4299 6.0246 6.0246 6.3604 6.3604 6.4810 6.4810 6.8748 6.8748 7.5142 7.5142 7.8102 7.8102 8.5726 8.5726 8.7473 8.7473 k = 0.0000 0.2004 0.2896 ( 13672 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.3065 -4.3065 -4.1734 -4.1734 -3.6660 -3.6660 -3.5825 -3.5825 3.1191 3.1191 3.3715 3.3715 4.0274 4.0274 4.1316 4.1316 4.5449 4.5449 4.9251 4.9251 4.9896 4.9896 5.4272 5.4272 6.0055 6.0055 6.3521 6.3521 6.4653 6.4653 6.8295 6.8295 7.5218 7.5218 7.8123 7.8123 8.5808 8.5808 8.7672 8.7672 k = 0.0000 0.2122 0.2896 ( 13678 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2878 -4.2878 -4.1535 -4.1535 -3.6897 -3.6897 -3.6087 -3.6087 3.1352 3.1352 3.4099 3.4099 4.0251 4.0251 4.1036 4.1036 4.5690 4.5690 4.9462 4.9462 4.9957 4.9957 5.4253 5.4253 5.9886 5.9886 6.3390 6.3390 6.4512 6.4512 6.7880 6.7880 7.5283 7.5283 7.8146 7.8146 8.5882 8.5882 8.7864 8.7864 k = 0.0000 0.2240 0.2896 ( 13679 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2697 -4.2697 -4.1337 -4.1337 -3.7125 -3.7125 -3.6339 -3.6339 3.1496 3.1496 3.4490 3.4490 4.0195 4.0195 4.0755 4.0755 4.5915 4.5915 4.9636 4.9636 5.0077 5.0077 5.4244 5.4244 5.9748 5.9748 6.3174 6.3174 6.4419 6.4419 6.7515 6.7515 7.5335 7.5335 7.8170 7.8170 8.5947 8.5947 8.8043 8.8043 k = 0.0000 0.2358 0.2896 ( 13679 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2526 -4.2526 -4.1145 -4.1145 -3.7337 -3.7337 -3.6576 -3.6576 3.1621 3.1621 3.4878 3.4878 4.0108 4.0108 4.0483 4.0483 4.6117 4.6117 4.9740 4.9740 5.0270 5.0270 5.4248 5.4248 5.9648 5.9648 6.2869 6.2869 6.4384 6.4384 6.7205 6.7205 7.5378 7.5378 7.8193 7.8193 8.6004 8.6004 8.8205 8.8205 k = 0.0000 0.2476 0.2896 ( 13681 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2371 -4.2371 -4.0967 -4.0967 -3.7528 -3.7528 -3.6792 -3.6792 3.1726 3.1726 3.5252 3.5252 3.9974 3.9974 4.0254 4.0254 4.6290 4.6290 4.9797 4.9797 5.0491 5.0491 5.4266 5.4266 5.9592 5.9592 6.2506 6.2506 6.4392 6.4392 6.6952 6.6952 7.5411 7.5411 7.8214 7.8214 8.6050 8.6050 8.8346 8.8346 k = 0.0000 0.2594 0.2896 ( 13672 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2240 -4.2240 -4.0810 -4.0810 -3.7691 -3.7691 -3.6976 -3.6976 3.1810 3.1810 3.5595 3.5595 3.9773 3.9773 4.0113 4.0113 4.6431 4.6431 4.9833 4.9833 5.0693 5.0693 5.4296 5.4296 5.9582 5.9582 6.2128 6.2128 6.4422 6.4422 6.6754 6.6754 7.5436 7.5436 7.8231 7.8231 8.6086 8.6087 8.8461 8.8461 k = 0.0000 0.2712 0.2896 ( 13663 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2138 -4.2138 -4.0685 -4.0685 -3.7816 -3.7816 -3.7120 -3.7120 3.1871 3.1871 3.5882 3.5882 3.9560 3.9560 4.0035 4.0035 4.6536 4.6536 4.9856 4.9856 5.0850 5.0850 5.4329 5.4329 5.9613 5.9613 6.1784 6.1784 6.4457 6.4457 6.6611 6.6611 7.5453 7.5453 7.8245 7.8245 8.6113 8.6113 8.8547 8.8547 k = 0.0000 0.2829 0.2896 ( 13663 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2074 -4.2074 -4.0603 -4.0603 -3.7896 -3.7896 -3.7213 -3.7213 3.1909 3.1909 3.6079 3.6079 3.9401 3.9401 3.9992 3.9992 4.6601 4.6601 4.9870 4.9870 5.0949 5.0949 5.4356 5.4356 5.9659 5.9659 6.1533 6.1533 6.4484 6.4484 6.6523 6.6523 7.5463 7.5463 7.8253 7.8253 8.6129 8.6129 8.8599 8.8599 k = 0.0000 0.2947 0.2896 ( 13656 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2051 -4.2051 -4.0572 -4.0572 -3.7924 -3.7924 -3.7246 -3.7246 3.1923 3.1923 3.6153 3.6153 3.9341 3.9341 3.9977 3.9977 4.6624 4.6624 4.9875 4.9875 5.0983 5.0983 5.4367 5.4367 5.9682 5.9682 6.1436 6.1436 6.4493 6.4493 6.6493 6.6493 7.5467 7.5467 7.8256 7.8256 8.6134 8.6134 8.8617 8.8617 k = 0.0000 0.2947 0.2896 ( 13656 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2051 -4.2051 -4.0572 -4.0572 -3.7924 -3.7924 -3.7246 -3.7246 3.1923 3.1923 3.6153 3.6153 3.9341 3.9341 3.9977 3.9977 4.6624 4.6624 4.9875 4.9875 5.0983 5.0983 5.4367 5.4367 5.9682 5.9682 6.1436 6.1436 6.4493 6.4493 6.6493 6.6493 7.5467 7.5467 7.8256 7.8256 8.6134 8.6134 8.8617 8.8617 k = 0.0000 0.2950 0.2893 ( 13656 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2051 -4.2051 -4.0572 -4.0572 -3.7924 -3.7924 -3.7246 -3.7246 3.1923 3.1923 3.6153 3.6153 3.9341 3.9341 3.9977 3.9977 4.6624 4.6624 4.9875 4.9875 5.0983 5.0983 5.4367 5.4367 5.9682 5.9682 6.1436 6.1436 6.4493 6.4493 6.6493 6.6493 7.5467 7.5467 7.8256 7.8256 8.6134 8.6134 8.8617 8.8617 k = 0.0000 0.2950 0.2893 ( 13656 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2051 -4.2051 -4.0572 -4.0572 -3.7924 -3.7924 -3.7246 -3.7246 3.1923 3.1923 3.6153 3.6153 3.9341 3.9341 3.9977 3.9977 4.6624 4.6624 4.9875 4.9875 5.0983 5.0983 5.4367 5.4367 5.9682 5.9682 6.1436 6.1436 6.4493 6.4493 6.6493 6.6493 7.5467 7.5467 7.8256 7.8256 8.6134 8.6134 8.8617 8.8617 k = 0.0122 0.2950 0.2893 ( 13654 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2821 -26.2821 -26.2412 -26.2412 -4.2040 -4.2040 -4.0563 -4.0563 -3.7919 -3.7919 -3.7243 -3.7243 3.1925 3.1925 3.6138 3.6138 3.9344 3.9344 3.9966 3.9966 4.6627 4.6627 4.9832 4.9832 5.1034 5.1034 5.4357 5.4357 5.9678 5.9678 6.1422 6.1422 6.4424 6.4424 6.6402 6.6402 7.5532 7.5532 7.8314 7.8314 8.6134 8.6134 8.8596 8.8596 k = 0.0244 0.2950 0.2893 ( 13656 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2821 -26.2821 -26.2412 -26.2412 -4.2008 -4.2008 -4.0537 -4.0537 -3.7902 -3.7902 -3.7231 -3.7231 3.1932 3.1932 3.6093 3.6093 3.9351 3.9351 3.9934 3.9934 4.6634 4.6634 4.9724 4.9724 5.1165 5.1165 5.4328 5.4328 5.9666 5.9666 6.1378 6.1378 6.4227 6.4227 6.6142 6.6142 7.5718 7.5718 7.8478 7.8478 8.6134 8.6134 8.8532 8.8532 k = 0.0366 0.2950 0.2893 ( 13652 PWs) bands (ev): -50.2330 -50.2330 -26.9183 -26.9183 -26.2822 -26.2822 -26.2412 -26.2412 -4.1953 -4.1953 -4.0494 -4.0494 -3.7874 -3.7874 -3.7212 -3.7212 3.1944 3.1944 3.6019 3.6019 3.9361 3.9361 3.9879 3.9879 4.6646 4.6646 4.9585 4.9585 5.1342 5.1342 5.4284 5.4284 5.9634 5.9634 6.1288 6.1288 6.3930 6.3930 6.5747 6.5747 7.6009 7.6009 7.8726 7.8726 8.6137 8.6137 8.8426 8.8426 k = 0.0488 0.2950 0.2893 ( 13662 PWs) bands (ev): -50.2330 -50.2330 -26.9183 -26.9183 -26.2823 -26.2823 -26.2412 -26.2412 -4.1877 -4.1877 -4.0433 -4.0433 -3.7835 -3.7835 -3.7186 -3.7186 3.1959 3.1959 3.5916 3.5916 3.9371 3.9371 3.9803 3.9803 4.6663 4.6663 4.9440 4.9440 5.1541 5.1541 5.4229 5.4229 5.9567 5.9567 6.1131 6.1131 6.3570 6.3570 6.5271 6.5271 7.6379 7.6379 7.9025 7.9025 8.6148 8.6148 8.8280 8.8280 k = 0.0610 0.2950 0.2893 ( 13668 PWs) bands (ev): -50.2330 -50.2330 -26.9184 -26.9184 -26.2824 -26.2824 -26.2412 -26.2412 -4.1779 -4.1779 -4.0356 -4.0356 -3.7786 -3.7786 -3.7151 -3.7151 3.1977 3.1977 3.5784 3.5784 3.9376 3.9376 3.9705 3.9705 4.6685 4.6685 4.9303 4.9303 5.1748 5.1748 5.4169 5.4169 5.9440 5.9440 6.0880 6.0880 6.3185 6.3185 6.4782 6.4782 7.6805 7.6805 7.9341 7.9341 8.6170 8.6170 8.8095 8.8095 k = 0.0732 0.2950 0.2893 ( 13668 PWs) bands (ev): -50.2330 -50.2330 -26.9185 -26.9185 -26.2825 -26.2825 -26.2413 -26.2413 -4.1661 -4.1661 -4.0263 -4.0263 -3.7725 -3.7725 -3.7110 -3.7110 3.1996 3.1996 3.5624 3.5624 3.9364 3.9364 3.9594 3.9594 4.6714 4.6714 4.9181 4.9181 5.1953 5.1953 5.4109 5.4109 5.9225 5.9225 6.0508 6.0508 6.2805 6.2805 6.4349 6.4349 7.7265 7.7265 7.9645 7.9645 8.6209 8.6209 8.7876 8.7876 k = 0.0854 0.2950 0.2893 ( 13668 PWs) bands (ev): -50.2329 -50.2329 -26.9186 -26.9186 -26.2827 -26.2827 -26.2413 -26.2413 -4.1522 -4.1522 -4.0154 -4.0154 -3.7654 -3.7654 -3.7060 -3.7060 3.2015 3.2015 3.5436 3.5436 3.9297 3.9297 3.9499 3.9499 4.6750 4.6750 4.9080 4.9080 5.2150 5.2150 5.4057 5.4057 5.8901 5.8901 6.0005 6.0005 6.2457 6.2457 6.4022 6.4022 7.7741 7.7741 7.9912 7.9912 8.6266 8.6266 8.7630 8.7630 k = 0.0976 0.2950 0.2893 ( 13672 PWs) bands (ev): -50.2329 -50.2329 -26.9187 -26.9187 -26.2829 -26.2829 -26.2413 -26.2413 -4.1362 -4.1362 -4.0029 -4.0029 -3.7573 -3.7573 -3.7003 -3.7003 3.2033 3.2033 3.5222 3.5222 3.9142 3.9142 3.9447 3.9447 4.6793 4.6793 4.9002 4.9002 5.2333 5.2333 5.4014 5.4014 5.8471 5.8471 5.9377 5.9377 6.2170 6.2170 6.3800 6.3800 7.8221 7.8221 8.0124 8.0124 8.6333 8.6333 8.7375 8.7375 k = 0.1098 0.2950 0.2893 ( 13672 PWs) bands (ev): -50.2329 -50.2329 -26.9188 -26.9188 -26.2832 -26.2832 -26.2414 -26.2414 -4.1184 -4.1184 -3.9891 -3.9891 -3.7482 -3.7482 -3.6938 -3.6938 3.2046 3.2046 3.4984 3.4984 3.8925 3.8925 3.9402 3.9402 4.6844 4.6844 4.8949 4.8949 5.2495 5.2495 5.3984 5.3984 5.7958 5.7958 5.8657 5.8657 6.1953 6.1953 6.3654 6.3654 7.8694 7.8694 8.0270 8.0270 8.6361 8.6361 8.7167 8.7167 k = 0.1220 0.2950 0.2893 ( 13672 PWs) bands (ev): -50.2328 -50.2328 -26.9190 -26.9190 -26.2834 -26.2834 -26.2414 -26.2414 -4.0986 -4.0986 -3.9739 -3.9739 -3.7382 -3.7382 -3.6865 -3.6865 3.2053 3.2053 3.4723 3.4723 3.8662 3.8662 3.9340 3.9340 4.6905 4.6905 4.8920 4.8920 5.2629 5.2629 5.3960 5.3960 5.7387 5.7387 5.7911 5.7911 6.1793 6.1793 6.3550 6.3550 7.9151 7.9151 8.0346 8.0346 8.6241 8.6241 8.7119 8.7119 k = 0.1341 0.2950 0.2893 ( 13662 PWs) bands (ev): -50.2328 -50.2328 -26.9192 -26.9192 -26.2837 -26.2837 -26.2415 -26.2415 -4.0770 -4.0770 -3.9574 -3.9574 -3.7272 -3.7272 -3.6783 -3.6783 3.2052 3.2052 3.4441 3.4441 3.8355 3.8355 3.9249 3.9249 4.6975 4.6975 4.8914 4.8914 5.2725 5.2725 5.3929 5.3929 5.6753 5.6753 5.7242 5.7242 6.1666 6.1666 6.3462 6.3462 7.9584 7.9584 8.0355 8.0355 8.5954 8.5954 8.7251 8.7251 k = 0.1463 0.2950 0.2893 ( 13656 PWs) bands (ev): -50.2328 -50.2328 -26.9193 -26.9193 -26.2840 -26.2840 -26.2415 -26.2415 -4.0537 -4.0537 -3.9399 -3.9399 -3.7153 -3.7153 -3.6693 -3.6693 3.2039 3.2039 3.4140 3.4140 3.8005 3.8005 3.9119 3.9119 4.7054 4.7054 4.8927 4.8927 5.2769 5.2769 5.3858 5.3858 5.6079 5.6079 5.6735 5.6735 6.1554 6.1554 6.3375 6.3375 7.9971 7.9971 8.0322 8.0322 8.5583 8.5583 8.7482 8.7482 k = 0.1585 0.2950 0.2893 ( 13660 PWs) bands (ev): -50.2327 -50.2327 -26.9195 -26.9195 -26.2843 -26.2843 -26.2415 -26.2415 -4.0288 -4.0288 -3.9214 -3.9214 -3.7026 -3.7026 -3.6595 -3.6595 3.2012 3.2012 3.3822 3.3822 3.7610 3.7610 3.8944 3.8944 4.7143 4.7143 4.8951 4.8951 5.2739 5.2739 5.3705 5.3705 5.5482 5.5482 5.6393 5.6393 6.1445 6.1445 6.3279 6.3279 8.0104 8.0104 8.0455 8.0455 8.5175 8.5175 8.7766 8.7766 k = 0.1707 0.2950 0.2893 ( 13644 PWs) bands (ev): -50.2327 -50.2327 -26.9197 -26.9197 -26.2847 -26.2847 -26.2416 -26.2416 -4.0023 -4.0023 -3.9021 -3.9021 -3.6890 -3.6890 -3.6486 -3.6486 3.1967 3.1967 3.3489 3.3489 3.7172 3.7172 3.8716 3.8716 4.7238 4.7238 4.8979 4.8979 5.2600 5.2600 5.3441 5.3441 5.5073 5.5073 5.6206 5.6206 6.1333 6.1333 6.3167 6.3167 7.9966 7.9966 8.0773 8.0773 8.4752 8.4752 8.8086 8.8086 k = 0.1829 0.2950 0.2893 ( 13650 PWs) bands (ev): -50.2327 -50.2327 -26.9199 -26.9199 -26.2850 -26.2850 -26.2416 -26.2416 -3.9744 -3.9744 -3.8822 -3.8822 -3.6747 -3.6747 -3.6368 -3.6368 3.1900 3.1900 3.3142 3.3142 3.6693 3.6693 3.8430 3.8430 4.7335 4.7335 4.8997 4.8997 5.2327 5.2327 5.3126 5.3126 5.4879 5.4879 5.6154 5.6154 6.1216 6.1216 6.3041 6.3041 7.9765 7.9765 8.1065 8.1065 8.4332 8.4332 8.8432 8.8432 k = 0.1951 0.2950 0.2893 ( 13654 PWs) bands (ev): -50.2326 -50.2326 -26.9201 -26.9201 -26.2854 -26.2854 -26.2417 -26.2417 -3.9453 -3.9453 -3.8619 -3.8619 -3.6597 -3.6597 -3.6238 -3.6238 3.1808 3.1808 3.2780 3.2780 3.6178 3.6178 3.8084 3.8084 4.7424 4.7424 4.8992 4.8992 5.1964 5.1964 5.2840 5.2840 5.4845 5.4845 5.6200 5.6200 6.1096 6.1096 6.2902 6.2902 7.9525 7.9525 8.1290 8.1290 8.3942 8.3942 8.8800 8.8800 k = 0.2073 0.2950 0.2893 ( 13662 PWs) bands (ev): -50.2326 -50.2326 -26.9203 -26.9203 -26.2858 -26.2858 -26.2417 -26.2417 -3.9150 -3.9150 -3.8415 -3.8415 -3.6440 -3.6440 -3.6097 -3.6097 3.1684 3.1684 3.2406 3.2406 3.5635 3.5635 3.7676 3.7676 4.7489 4.7489 4.8957 4.8957 5.1607 5.1607 5.2601 5.2601 5.4917 5.4917 5.6308 5.6308 6.0978 6.0978 6.2756 6.2756 7.9257 7.9257 8.1406 8.1406 8.3625 8.3625 8.9186 8.9186 k = 0.2195 0.2950 0.2893 ( 13668 PWs) bands (ev): -50.2325 -50.2325 -26.9206 -26.9206 -26.2862 -26.2862 -26.2417 -26.2417 -3.8838 -3.8838 -3.8211 -3.8211 -3.6277 -3.6277 -3.5943 -3.5943 3.1518 3.1518 3.2020 3.2020 3.5076 3.5076 3.7211 3.7211 4.7507 4.7507 4.8900 4.8900 5.1324 5.1324 5.2415 5.2415 5.5057 5.5057 5.6452 5.6452 6.0867 6.0867 6.2612 6.2612 7.8964 7.8964 8.1358 8.1358 8.3438 8.3438 8.9586 8.9586 k = 0.2317 0.2950 0.2893 ( 13660 PWs) bands (ev): -50.2325 -50.2325 -26.9208 -26.9208 -26.2866 -26.2866 -26.2417 -26.2417 -3.8519 -3.8519 -3.8011 -3.8011 -3.6107 -3.6107 -3.5775 -3.5775 3.1286 3.1286 3.1639 3.1639 3.4513 3.4513 3.6695 3.6695 4.7456 4.7456 4.8847 4.8847 5.1130 5.1130 5.2283 5.2283 5.5246 5.5246 5.6611 5.6611 6.0774 6.0774 6.2480 6.2480 7.8651 7.8651 8.1126 8.1126 8.3401 8.3401 8.9995 8.9995 k = 0.2439 0.2950 0.2893 ( 13660 PWs) bands (ev): -50.2324 -50.2324 -26.9210 -26.9210 -26.2870 -26.2870 -26.2418 -26.2418 -3.8194 -3.8194 -3.7816 -3.7816 -3.5932 -3.5932 -3.5594 -3.5594 3.0938 3.0938 3.1299 3.1299 3.3963 3.3963 3.6139 3.6139 4.7333 4.7333 4.8824 4.8824 5.1008 5.1008 5.2206 5.2206 5.5469 5.5469 5.6776 5.6776 6.0707 6.0707 6.2374 6.2374 7.8321 7.8321 8.0755 8.0755 8.3474 8.3474 9.0398 9.0398 k = 0.2561 0.2950 0.2893 ( 13666 PWs) bands (ev): -50.2324 -50.2324 -26.9212 -26.9212 -26.2875 -26.2875 -26.2418 -26.2418 -3.7868 -3.7868 -3.7627 -3.7627 -3.5751 -3.5751 -3.5398 -3.5398 3.0474 3.0474 3.0989 3.0989 3.3442 3.3442 3.5557 3.5557 4.7161 4.7161 4.8826 4.8826 5.0937 5.0937 5.2173 5.2173 5.5718 5.5718 5.6937 5.6937 6.0676 6.0676 6.2306 6.2306 7.7975 7.7975 8.0301 8.0301 8.3599 8.3599 9.0761 9.0761 k = 0.2683 0.2950 0.2893 ( 13650 PWs) bands (ev): -50.2323 -50.2323 -26.9215 -26.9215 -26.2879 -26.2879 -26.2418 -26.2418 -3.7550 -3.7550 -3.7439 -3.7439 -3.5564 -3.5564 -3.5189 -3.5189 2.9934 2.9934 3.0659 3.0659 3.2961 3.2961 3.4967 3.4967 4.6972 4.6972 4.8836 4.8836 5.0898 5.0898 5.2170 5.2170 5.5984 5.5984 5.7095 5.7095 6.0690 6.0690 6.2288 6.2288 7.7616 7.7616 7.9802 7.9802 8.3742 8.3742 9.0990 9.0990 k = 0.2805 0.2950 0.2893 ( 13642 PWs) bands (ev): -50.2323 -50.2323 -26.9217 -26.9217 -26.2883 -26.2883 -26.2418 -26.2418 -3.7309 -3.7309 -3.7187 -3.7187 -3.5372 -3.5372 -3.4967 -3.4967 2.9339 2.9339 3.0287 3.0287 3.2528 3.2528 3.4385 3.4385 4.6789 4.6789 4.8838 4.8838 5.0881 5.0881 5.2179 5.2179 5.6260 5.6260 5.7255 5.7255 6.0754 6.0754 6.2330 6.2330 7.7245 7.7245 7.9277 7.9277 8.3883 8.3883 9.1006 9.1006 k = 0.2927 0.2950 0.2893 ( 13642 PWs) bands (ev): -50.2322 -50.2322 -26.9219 -26.9219 -26.2887 -26.2887 -26.2418 -26.2418 -3.7144 -3.7144 -3.6876 -3.6876 -3.5173 -3.5173 -3.4734 -3.4734 2.8702 2.8702 2.9861 2.9861 3.2144 3.2144 3.3829 3.3829 4.6626 4.6626 4.8822 4.8822 5.0873 5.0873 5.2188 5.2188 5.6537 5.6537 5.7426 5.7426 6.0874 6.0874 6.2437 6.2437 7.6862 7.6862 7.8739 7.8739 8.4011 8.4011 9.0882 9.0883 k = 0.3049 0.2950 0.2893 ( 13644 PWs) bands (ev): -50.2322 -50.2322 -26.9221 -26.9221 -26.2892 -26.2892 -26.2418 -26.2418 -3.6998 -3.6998 -3.6566 -3.6566 -3.4968 -3.4968 -3.4492 -3.4492 2.8038 2.8038 2.9380 2.9380 3.1806 3.1806 3.3312 3.3312 4.6486 4.6486 4.8785 4.8785 5.0863 5.0863 5.2187 5.2187 5.6806 5.6806 5.7624 5.7624 6.1050 6.1050 6.2610 6.2610 7.6471 7.6471 7.8193 7.8193 8.4122 8.4122 9.0699 9.0699 k = 0.3171 0.2950 0.2893 ( 13644 PWs) bands (ev): -50.2322 -50.2322 -26.9224 -26.9224 -26.2896 -26.2896 -26.2418 -26.2418 -3.6864 -3.6864 -3.6269 -3.6269 -3.4756 -3.4756 -3.4244 -3.4244 2.7359 2.7359 2.8848 2.8848 3.1511 3.1511 3.2840 3.2840 4.6371 4.6371 4.8725 4.8725 5.0841 5.0841 5.2174 5.2174 5.7060 5.7060 5.7858 5.7858 6.1281 6.1281 6.2844 6.2844 7.6070 7.6070 7.7644 7.7644 8.4212 8.4212 9.0494 9.0494 k = 0.3293 0.2950 0.2893 ( 13658 PWs) bands (ev): -50.2321 -50.2321 -26.9226 -26.9226 -26.2900 -26.2900 -26.2418 -26.2418 -3.6741 -3.6741 -3.5987 -3.5987 -3.4536 -3.4536 -3.3993 -3.3993 2.6678 2.6678 2.8276 2.8276 3.1253 3.1253 3.2413 3.2413 4.6279 4.6279 4.8642 4.8642 5.0802 5.0802 5.2150 5.2150 5.7302 5.7302 5.8133 5.8133 6.1565 6.1565 6.3132 6.3132 7.5664 7.5664 7.7095 7.7095 8.4280 8.4280 9.0282 9.0282 k = 0.3415 0.2950 0.2893 ( 13656 PWs) bands (ev): -50.2321 -50.2321 -26.9228 -26.9228 -26.2903 -26.2903 -26.2418 -26.2418 -3.6629 -3.6629 -3.5725 -3.5725 -3.4310 -3.4310 -3.3742 -3.3742 2.6007 2.6007 2.7677 2.7677 3.1028 3.1028 3.2030 3.2030 4.6206 4.6206 4.8536 4.8536 5.0745 5.0745 5.2118 5.2118 5.7540 5.7540 5.8439 5.8439 6.1896 6.1896 6.3466 6.3466 7.5252 7.5252 7.6549 7.6549 8.4324 8.4324 9.0073 9.0073 k = 0.3537 0.2950 0.2893 ( 13662 PWs) bands (ev): -50.2320 -50.2320 -26.9230 -26.9230 -26.2907 -26.2907 -26.2418 -26.2418 -3.6526 -3.6526 -3.5485 -3.5485 -3.4078 -3.4078 -3.3494 -3.3494 2.5353 2.5353 2.7067 2.7067 3.0832 3.0832 3.1685 3.1685 4.6148 4.6148 4.8409 4.8409 5.0674 5.0674 5.2081 5.2081 5.7780 5.7780 5.8768 5.8768 6.2266 6.2266 6.3838 6.3838 7.4838 7.4838 7.6008 7.6008 8.4346 8.4346 8.9869 8.9869 k = 0.3659 0.2950 0.2893 ( 13658 PWs) bands (ev): -50.2320 -50.2320 -26.9231 -26.9231 -26.2910 -26.2910 -26.2418 -26.2418 -3.6432 -3.6432 -3.5267 -3.5267 -3.3844 -3.3844 -3.3252 -3.3252 2.4726 2.4726 2.6461 2.6461 3.0660 3.0660 3.1374 3.1374 4.6103 4.6103 4.8262 4.8262 5.0593 5.0593 5.2044 5.2044 5.8026 5.8026 5.9108 5.9108 6.2666 6.2666 6.4240 6.4240 7.4423 7.4423 7.5474 7.5474 8.4346 8.4346 8.9675 8.9675 k = 0.3780 0.2950 0.2893 ( 13664 PWs) bands (ev): -50.2320 -50.2320 -26.9233 -26.9233 -26.2914 -26.2914 -26.2417 -26.2417 -3.6348 -3.6348 -3.5072 -3.5072 -3.3611 -3.3611 -3.3018 -3.3018 2.4132 2.4132 2.5873 2.5873 3.0510 3.0510 3.1097 3.1097 4.6065 4.6065 4.8100 4.8100 5.0509 5.0509 5.2008 5.2008 5.8280 5.8280 5.9451 5.9451 6.3086 6.3086 6.4664 6.4664 7.4012 7.4012 7.4948 7.4948 8.4325 8.4325 8.9490 8.9490 k = 0.3902 0.2950 0.2893 ( 13664 PWs) bands (ev): -50.2319 -50.2319 -26.9235 -26.9235 -26.2917 -26.2917 -26.2417 -26.2417 -3.6272 -3.6272 -3.4899 -3.4899 -3.3383 -3.3383 -3.2797 -3.2797 2.3577 2.3577 2.5312 2.5312 3.0375 3.0375 3.0851 3.0851 4.6033 4.6033 4.7929 4.7929 5.0428 5.0428 5.1975 5.1975 5.8538 5.8538 5.9790 5.9790 6.3516 6.3516 6.5102 6.5102 7.3607 7.3607 7.4434 7.4434 8.4287 8.4287 8.9318 8.9318 k = 0.4024 0.2950 0.2893 ( 13670 PWs) bands (ev): -50.2319 -50.2319 -26.9236 -26.9236 -26.2919 -26.2919 -26.2417 -26.2417 -3.6204 -3.6204 -3.4746 -3.4746 -3.3166 -3.3166 -3.2590 -3.2590 2.3066 2.3066 2.4789 2.4789 3.0251 3.0251 3.0641 3.0641 4.6003 4.6003 4.7755 4.7755 5.0352 5.0352 5.1945 5.1945 5.8794 5.8794 6.0119 6.0119 6.3947 6.3947 6.5548 6.5548 7.3213 7.3213 7.3932 7.3932 8.4234 8.4234 8.9160 8.9160 k = 0.4146 0.2950 0.2893 ( 13678 PWs) bands (ev): -50.2319 -50.2319 -26.9238 -26.9238 -26.2922 -26.2922 -26.2417 -26.2417 -3.6144 -3.6144 -3.4614 -3.4614 -3.2963 -3.2963 -3.2401 -3.2401 2.2605 2.2605 2.4311 2.4311 3.0131 3.0131 3.0470 3.0470 4.5972 4.5972 4.7587 4.7587 5.0285 5.0285 5.1920 5.1920 5.9044 5.9044 6.0430 6.0430 6.4367 6.4367 6.5994 6.5994 7.2835 7.2835 7.3447 7.3447 8.4171 8.4171 8.9016 8.9016 k = 0.4268 0.2950 0.2893 ( 13678 PWs) bands (ev): -50.2319 -50.2319 -26.9239 -26.9239 -26.2924 -26.2924 -26.2417 -26.2417 -3.6092 -3.6092 -3.4500 -3.4500 -3.2778 -3.2778 -3.2232 -3.2232 2.2197 2.2197 2.3884 2.3884 3.0010 3.0010 3.0341 3.0341 4.5940 4.5940 4.7432 4.7432 5.0227 5.0227 5.1900 5.1900 5.9280 5.9280 6.0718 6.0718 6.4767 6.4767 6.6432 6.6432 7.2479 7.2479 7.2981 7.2981 8.4102 8.4102 8.8889 8.8889 k = 0.4390 0.2950 0.2893 ( 13676 PWs) bands (ev): -50.2318 -50.2318 -26.9240 -26.9240 -26.2926 -26.2926 -26.2417 -26.2417 -3.6049 -3.6049 -3.4404 -3.4404 -3.2616 -3.2616 -3.2084 -3.2084 2.1846 2.1846 2.3515 2.3515 2.9893 2.9893 3.0248 3.0248 4.5906 4.5906 4.7296 4.7296 5.0179 5.0179 5.1883 5.1883 5.9496 5.9496 6.0976 6.0976 6.5136 6.5136 6.6856 6.6856 7.2151 7.2151 7.2539 7.2539 8.4031 8.4031 8.8779 8.8779 k = 0.4512 0.2950 0.2893 ( 13676 PWs) bands (ev): -50.2318 -50.2318 -26.9240 -26.9240 -26.2928 -26.2928 -26.2417 -26.2417 -3.6013 -3.6013 -3.4326 -3.4326 -3.2479 -3.2479 -3.1961 -3.1961 2.1554 2.1554 2.3207 2.3207 2.9788 2.9788 3.0183 3.0183 4.5871 4.5871 4.7183 4.7183 5.0140 5.0140 5.1871 5.1871 5.9684 5.9684 6.1198 6.1198 6.5462 6.5462 6.7253 6.7253 7.1860 7.1860 7.2129 7.2129 8.3964 8.3964 8.8686 8.8686 k = 0.4634 0.2950 0.2893 ( 13668 PWs) bands (ev): -50.2318 -50.2318 -26.9241 -26.9241 -26.2929 -26.2929 -26.2417 -26.2417 -3.5985 -3.5985 -3.4266 -3.4266 -3.2370 -3.2370 -3.1863 -3.1863 2.1324 2.1324 2.2963 2.2963 2.9701 2.9701 3.0138 3.0138 4.5839 4.5839 4.7096 4.7096 5.0111 5.0111 5.1862 5.1862 5.9838 5.9838 6.1378 6.1378 6.5735 6.5735 6.7610 6.7610 7.1615 7.1615 7.1766 7.1766 8.3906 8.3906 8.8614 8.8614 k = 0.4756 0.2950 0.2893 ( 13666 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5965 -3.5965 -3.4223 -3.4223 -3.2291 -3.2291 -3.1792 -3.1792 2.1159 2.1159 2.2787 2.2787 2.9636 2.9636 3.0109 3.0109 4.5812 4.5812 4.7034 4.7034 5.0090 5.0090 5.1856 5.1856 5.9953 5.9953 6.1512 6.1512 6.5943 6.5943 6.7905 6.7905 7.1418 7.1418 7.1478 7.1478 8.3861 8.3861 8.8561 8.8561 k = 0.4878 0.2950 0.2893 ( 13646 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5953 -3.5953 -3.4197 -3.4197 -3.2243 -3.2243 -3.1749 -3.1749 2.1059 2.1059 2.2681 2.2681 2.9596 2.9596 3.0092 3.0092 4.5794 4.5794 4.6998 4.6998 5.0078 5.0078 5.1852 5.1852 6.0024 6.0024 6.1593 6.1593 6.6072 6.6072 6.8107 6.8107 7.1244 7.1244 7.1331 7.1331 8.3833 8.3833 8.8529 8.8529 k = 0.5000 0.2950 0.2893 ( 13640 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5949 -3.5949 -3.4189 -3.4189 -3.2227 -3.2227 -3.1735 -3.1735 2.1026 2.1026 2.2646 2.2646 2.9583 2.9583 3.0087 3.0087 4.5788 4.5788 4.6986 4.6986 5.0074 5.0074 5.1851 5.1851 6.0048 6.0048 6.1621 6.1621 6.6117 6.6117 6.8180 6.8180 7.1173 7.1173 7.1288 7.1288 8.3823 8.3823 8.8518 8.8518 k = 0.5000 0.2950 0.2893 ( 13640 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5949 -3.5949 -3.4189 -3.4189 -3.2227 -3.2227 -3.1735 -3.1735 2.1026 2.1026 2.2646 2.2646 2.9583 2.9583 3.0087 3.0087 4.5788 4.5788 4.6986 4.6986 5.0074 5.0074 5.1851 5.1851 6.0048 6.0048 6.1621 6.1621 6.6117 6.6117 6.8180 6.8180 7.1173 7.1173 7.1288 7.1288 8.3823 8.3823 8.8518 8.8518 k = 0.5000 0.2953 0.2890 ( 13640 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5949 -3.5949 -3.4189 -3.4189 -3.2227 -3.2227 -3.1735 -3.1735 2.1026 2.1026 2.2646 2.2646 2.9583 2.9583 3.0087 3.0087 4.5788 4.5788 4.6986 4.6986 5.0074 5.0074 5.1851 5.1851 6.0048 6.0048 6.1621 6.1621 6.6117 6.6117 6.8180 6.8180 7.1174 7.1174 7.1288 7.1288 8.3823 8.3823 8.8518 8.8518 k = 0.5000 0.2953 0.2890 ( 13640 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5949 -3.5949 -3.4189 -3.4189 -3.2227 -3.2227 -3.1735 -3.1735 2.1026 2.1026 2.2646 2.2646 2.9583 2.9583 3.0087 3.0087 4.5788 4.5788 4.6986 4.6986 5.0074 5.0074 5.1851 5.1851 6.0048 6.0048 6.1621 6.1621 6.6117 6.6117 6.8180 6.8180 7.1174 7.1174 7.1288 7.1288 8.3823 8.3823 8.8518 8.8518 k = 0.5000 0.2953 0.2770 ( 13648 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5947 -3.5947 -3.4188 -3.4188 -3.2231 -3.2231 -3.1737 -3.1737 2.1048 2.1048 2.2668 2.2668 2.9591 2.9591 3.0093 3.0093 4.5791 4.5791 4.6985 4.6985 5.0063 5.0063 5.1840 5.1840 6.0001 6.0001 6.1578 6.1578 6.6012 6.6012 6.8039 6.8039 7.1288 7.1288 7.1408 7.1408 8.3827 8.3827 8.8523 8.8523 k = 0.5000 0.2953 0.2649 ( 13660 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5940 -3.5940 -3.4187 -3.4187 -3.2244 -3.2244 -3.1745 -3.1745 2.1112 2.1112 2.2735 2.2735 2.9616 2.9616 3.0110 3.0110 4.5801 4.5801 4.6981 4.6981 5.0034 5.0034 5.1809 5.1809 5.9863 5.9863 6.1452 6.1452 6.5732 6.5732 6.7684 6.7684 7.1577 7.1577 7.1728 7.1728 8.3838 8.3838 8.8537 8.8537 k = 0.5000 0.2953 0.2528 ( 13676 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5928 -3.5928 -3.4185 -3.4185 -3.2266 -3.2266 -3.1757 -3.1757 2.1217 2.1217 2.2844 2.2844 2.9655 2.9655 3.0138 3.0138 4.5816 4.5816 4.6975 4.6975 4.9987 4.9987 5.1758 5.1758 5.9637 5.9637 6.1245 6.1245 6.5329 6.5329 6.7200 6.7200 7.1981 7.1981 7.2172 7.2172 8.3856 8.3856 8.8559 8.8559 k = 0.5000 0.2953 0.2408 ( 13680 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5911 -3.5911 -3.4181 -3.4181 -3.2296 -3.2296 -3.1774 -3.1774 2.1363 2.1363 2.2996 2.2996 2.9710 2.9710 3.0178 3.0178 4.5836 4.5836 4.6963 4.6963 4.9925 4.9925 5.1687 5.1687 5.9323 5.9323 6.0958 6.0958 6.4856 6.4856 6.6646 6.6646 7.2456 7.2456 7.2681 7.2681 8.3880 8.3880 8.8585 8.8585 k = 0.5000 0.2953 0.2287 ( 13682 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5889 -3.5889 -3.4177 -3.4177 -3.2334 -3.2334 -3.1795 -3.1795 2.1549 2.1549 2.3188 2.3188 2.9778 2.9778 3.0229 3.0229 4.5859 4.5859 4.6942 4.6942 4.9850 4.9850 5.1599 5.1599 5.8929 5.8929 6.0596 6.0596 6.4352 6.4352 6.6055 6.6055 7.2971 7.2971 7.3224 7.3224 8.3908 8.3908 8.8614 8.8614 k = 0.5000 0.2953 0.2167 ( 13678 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5863 -3.5863 -3.4172 -3.4172 -3.2379 -3.2379 -3.1821 -3.1821 2.1773 2.1773 2.3421 2.3421 2.9859 2.9859 3.0290 3.0290 4.5883 4.5883 4.6910 4.6910 4.9765 4.9765 5.1493 5.1493 5.8460 5.8460 6.0165 6.0165 6.3840 6.3840 6.5447 6.5447 7.3507 7.3507 7.3784 7.3784 8.3938 8.3938 8.8641 8.8641 k = 0.5000 0.2953 0.2046 ( 13678 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5832 -3.5832 -3.4166 -3.4166 -3.2432 -3.2432 -3.1850 -3.1850 2.2036 2.2036 2.3691 2.3691 2.9952 2.9952 3.0363 3.0363 4.5906 4.5906 4.6861 4.6861 4.9676 4.9676 5.1371 5.1371 5.7929 5.7929 5.9673 5.9673 6.3335 6.3335 6.4832 6.4832 7.4049 7.4049 7.4354 7.4354 8.3971 8.3971 8.8662 8.8662 k = 0.5000 0.2952 0.1926 ( 13670 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5797 -3.5797 -3.4158 -3.4158 -3.2491 -3.2491 -3.1882 -3.1882 2.2334 2.2334 2.3996 2.3996 3.0054 3.0054 3.0446 3.0446 4.5923 4.5923 4.6790 4.6790 4.9585 4.9585 5.1231 5.1231 5.7353 5.7353 5.9131 5.9131 6.2842 6.2842 6.4221 6.4221 7.4591 7.4591 7.4929 7.4929 8.4003 8.4003 8.8674 8.8674 k = 0.5000 0.2952 0.1805 ( 13666 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5758 -3.5758 -3.4151 -3.4151 -3.2556 -3.2556 -3.1917 -3.1917 2.2666 2.2666 2.4334 2.4334 3.0163 3.0163 3.0539 3.0539 4.5932 4.5932 4.6694 4.6694 4.9498 4.9498 5.1071 5.1071 5.6751 5.6751 5.8550 5.8550 6.2361 6.2361 6.3621 6.3621 7.5125 7.5125 7.5506 7.5506 8.4035 8.4035 8.8670 8.8670 k = 0.5000 0.2952 0.1685 ( 13660 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5715 -3.5715 -3.4142 -3.4142 -3.2627 -3.2627 -3.1955 -3.1955 2.3030 2.3030 2.4702 2.4702 3.0279 3.0279 3.0641 3.0641 4.5929 4.5929 4.6568 4.6568 4.9417 4.9417 5.0887 5.0887 5.6149 5.6149 5.7943 5.7943 6.1891 6.1891 6.3037 6.3037 7.5650 7.5650 7.6083 7.6083 8.4067 8.4067 8.8647 8.8647 k = 0.5000 0.2952 0.1564 ( 13654 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5668 -3.5668 -3.4133 -3.4133 -3.2702 -3.2702 -3.1993 -3.1993 2.3422 2.3422 2.5094 2.5094 3.0398 3.0398 3.0752 3.0752 4.5908 4.5908 4.6409 4.6409 4.9345 4.9345 5.0670 5.0670 5.5576 5.5576 5.7323 5.7323 6.1428 6.1428 6.2475 6.2475 7.6161 7.6161 7.6658 7.6658 8.4097 8.4097 8.8600 8.8600 k = 0.5000 0.2952 0.1444 ( 13656 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5618 -3.5618 -3.4123 -3.4123 -3.2781 -3.2781 -3.2033 -3.2033 2.3840 2.3840 2.5507 2.5507 3.0519 3.0519 3.0871 3.0871 4.5865 4.5865 4.6217 4.6217 4.9281 4.9281 5.0410 5.0410 5.5060 5.5060 5.6704 5.6704 6.0969 6.0969 6.1939 6.1939 7.6658 7.6658 7.7228 7.7228 8.4125 8.4125 8.8525 8.8525 k = 0.5000 0.2952 0.1323 ( 13652 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5565 -3.5565 -3.4113 -3.4113 -3.2863 -3.2863 -3.2073 -3.2073 2.4279 2.4279 2.5935 2.5935 3.0639 3.0639 3.0997 3.0997 4.5788 4.5788 4.6004 4.6004 4.9219 4.9219 5.0103 5.0103 5.4630 5.4630 5.6101 5.6101 6.0512 6.0512 6.1434 6.1434 7.7138 7.7138 7.7793 7.7793 8.4152 8.4152 8.8419 8.8419 k = 0.5000 0.2952 0.1202 ( 13650 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5510 -3.5510 -3.4102 -3.4102 -3.2946 -3.2946 -3.2112 -3.2112 2.4736 2.4736 2.6372 2.6372 3.0753 3.0753 3.1129 3.1129 4.5629 4.5629 4.5816 4.5816 4.9137 4.9137 4.9762 4.9762 5.4301 5.4301 5.5530 5.5530 6.0055 6.0055 6.0961 6.0961 7.7598 7.7598 7.8349 7.8349 8.4177 8.4177 8.8279 8.8279 k = 0.5000 0.2952 0.1082 ( 13648 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5454 -3.5454 -3.4092 -3.4092 -3.3030 -3.3030 -3.2151 -3.2151 2.5203 2.5203 2.6809 2.6809 3.0857 3.0857 3.1270 3.1270 4.5361 4.5361 4.5687 4.5687 4.8959 4.8959 4.9469 4.9469 5.4076 5.4076 5.5011 5.5011 5.9598 5.9598 6.0524 6.0524 7.8037 7.8037 7.8896 7.8896 8.4200 8.4200 8.8104 8.8104 k = 0.5000 0.2951 0.0961 ( 13652 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5396 -3.5396 -3.4082 -3.4082 -3.3113 -3.3113 -3.2188 -3.2188 2.5675 2.5675 2.7240 2.7240 3.0943 3.0943 3.1422 3.1422 4.5042 4.5042 4.5569 4.5569 4.8597 4.8597 4.9324 4.9324 5.3928 5.3928 5.4574 5.4574 5.9142 5.9142 6.0126 6.0126 7.8450 7.8450 7.9431 7.9431 8.4222 8.4222 8.7897 8.7897 k = 0.5000 0.2951 0.0841 ( 13642 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5339 -3.5339 -3.4072 -3.4072 -3.3194 -3.3194 -3.2222 -3.2222 2.6143 2.6143 2.7656 2.7656 3.1002 3.1002 3.1587 3.1587 4.4697 4.4697 4.5451 4.5451 4.8135 4.8135 4.9262 4.9262 5.3784 5.3784 5.4288 5.4288 5.8691 5.8691 5.9766 5.9766 7.8835 7.8835 7.9949 7.9949 8.4243 8.4243 8.7659 8.7659 k = 0.5000 0.2951 0.0720 ( 13646 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5284 -3.5284 -3.4062 -3.4062 -3.3271 -3.3271 -3.2253 -3.2253 2.6595 2.6595 2.8051 2.8051 3.1027 3.1027 3.1764 3.1764 4.4341 4.4341 4.5336 4.5336 4.7654 4.7654 4.9224 4.9224 5.3561 5.3561 5.4225 5.4225 5.8247 5.8247 5.9446 5.9446 7.9187 7.9187 8.0448 8.0448 8.4263 8.4263 8.7398 8.7398 k = 0.5000 0.2951 0.0600 ( 13660 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5232 -3.5232 -3.4054 -3.4054 -3.3342 -3.3342 -3.2281 -3.2281 2.7019 2.7019 2.8420 2.8420 3.1014 3.1014 3.1950 3.1950 4.3989 4.3989 4.5232 4.5232 4.7191 4.7191 4.9192 4.9192 5.3324 5.3324 5.4307 5.4307 5.7816 5.7816 5.9168 5.9168 7.9500 7.9500 8.0918 8.0918 8.4281 8.4281 8.7120 8.7120 k = 0.5000 0.2951 0.0479 ( 13674 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5184 -3.5184 -3.4047 -3.4047 -3.3406 -3.3406 -3.2304 -3.2304 2.7396 2.7396 2.8763 2.8763 3.0959 3.0959 3.2134 3.2134 4.3659 4.3659 4.5148 4.5148 4.6770 4.6770 4.9162 4.9162 5.3127 5.3127 5.4461 5.4461 5.7404 5.7404 5.8934 5.8934 7.9769 7.9769 8.1351 8.1351 8.4298 8.4298 8.6839 8.6839 k = 0.5000 0.2951 0.0359 ( 13672 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5144 -3.5144 -3.4041 -3.4041 -3.3458 -3.3458 -3.2323 -3.2323 2.7709 2.7709 2.9078 2.9078 3.0865 3.0865 3.2304 3.2304 4.3373 4.3373 4.5089 4.5089 4.6408 4.6408 4.9135 4.9135 5.2981 5.2981 5.4657 5.4657 5.7017 5.7017 5.8748 5.8748 7.9988 7.9988 8.1731 8.1731 8.4314 8.4314 8.6573 8.6573 k = 0.5000 0.2951 0.0238 ( 13680 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5114 -3.5114 -3.4036 -3.4036 -3.3498 -3.3498 -3.2337 -3.2337 2.7942 2.7942 2.9361 2.9361 3.0740 3.0740 3.2442 3.2442 4.3149 4.3149 4.5057 4.5057 4.6124 4.6124 4.9112 4.9112 5.2883 5.2883 5.4871 5.4871 5.6673 5.6673 5.8612 5.8612 8.0149 8.0149 8.2036 8.2036 8.4327 8.4327 8.6346 8.6346 k = 0.5000 0.2951 0.0117 ( 13680 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5094 -3.5094 -3.4033 -3.4033 -3.3523 -3.3523 -3.2345 -3.2345 2.8085 2.8085 2.9583 2.9583 3.0613 3.0613 3.2533 3.2533 4.3006 4.3006 4.5048 4.5048 4.5938 4.5938 4.9098 4.9098 5.2827 5.2827 5.5060 5.5060 5.6406 5.6406 5.8529 5.8529 8.0249 8.0249 8.2238 8.2238 8.4337 8.4337 8.6189 8.6189 k = 0.5000 0.2950-0.0003 ( 13692 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5088 -3.5088 -3.4032 -3.4032 -3.3532 -3.3532 -3.2348 -3.2348 2.8132 2.8132 2.9676 2.9676 3.0553 3.0553 3.2565 3.2565 4.2957 4.2957 4.5048 4.5048 4.5872 4.5872 4.9092 4.9092 5.2809 5.2809 5.5144 5.5144 5.6296 5.6296 5.8501 5.8501 8.0282 8.0282 8.2309 8.2309 8.4340 8.4340 8.6132 8.6132 k = 0.5000 0.2950-0.0003 ( 13692 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5088 -3.5088 -3.4032 -3.4032 -3.3532 -3.3532 -3.2348 -3.2348 2.8132 2.8132 2.9676 2.9676 3.0553 3.0553 3.2565 3.2565 4.2957 4.2957 4.5048 4.5048 4.5872 4.5872 4.9092 4.9092 5.2809 5.2809 5.5144 5.5144 5.6296 5.6296 5.8501 5.8501 8.0282 8.0282 8.2309 8.2309 8.4340 8.4340 8.6132 8.6132 k = 0.4878 0.2950-0.0003 ( 13688 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5102 -3.5102 -3.4196 -3.4196 -3.3394 -3.3394 -3.2341 -3.2341 2.8143 2.8143 2.9666 2.9666 3.0632 3.0632 3.2571 3.2571 4.2738 4.2738 4.5215 4.5215 4.5868 4.5868 4.9151 4.9151 5.2783 5.2783 5.5141 5.5141 5.6269 5.6269 5.8561 5.8561 8.0284 8.0284 8.2313 8.2313 8.4315 8.4315 8.6166 8.6166 k = 0.4756 0.2950-0.0003 ( 13680 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5146 -3.5146 -3.4506 -3.4506 -3.3160 -3.3160 -3.2322 -3.2322 2.8178 2.8178 2.9656 2.9656 3.0846 3.0846 3.2588 3.2588 4.2226 4.2226 4.5450 4.5450 4.5981 4.5981 4.9318 4.9318 5.2707 5.2707 5.5129 5.5129 5.6199 5.6199 5.8727 5.8727 8.0288 8.0288 8.2325 8.2325 8.4243 8.4243 8.6262 8.6262 k = 0.4634 0.2950-0.0003 ( 13682 PWs) bands (ev): -50.2318 -50.2318 -26.9241 -26.9241 -26.2929 -26.2929 -26.2417 -26.2417 -3.5217 -3.5217 -3.4861 -3.4861 -3.2931 -3.2931 -3.2291 -3.2291 2.8237 2.8237 2.9677 2.9677 3.1156 3.1156 3.2622 3.2622 4.1590 4.1590 4.5416 4.5416 4.6396 4.6396 4.9574 4.9574 5.2593 5.2593 5.5102 5.5102 5.6114 5.6114 5.8974 5.8974 8.0295 8.0295 8.2344 8.2344 8.4141 8.4141 8.6406 8.6406 k = 0.4512 0.2950-0.0003 ( 13684 PWs) bands (ev): -50.2318 -50.2318 -26.9241 -26.9241 -26.2928 -26.2928 -26.2417 -26.2417 -3.5316 -3.5316 -3.5242 -3.5242 -3.2723 -3.2723 -3.2251 -3.2251 2.8326 2.8326 2.9743 2.9743 3.1529 3.1529 3.2683 3.2683 4.0903 4.0903 4.5265 4.5265 4.6906 4.6906 4.9895 4.9895 5.2458 5.2458 5.5055 5.5055 5.6036 5.6036 5.9273 5.9273 8.0303 8.0303 8.2371 8.2371 8.4021 8.4021 8.6581 8.6581 k = 0.4390 0.2950-0.0003 ( 13664 PWs) bands (ev): -50.2318 -50.2318 -26.9240 -26.9240 -26.2926 -26.2926 -26.2417 -26.2417 -3.5651 -3.5651 -3.5430 -3.5430 -3.2542 -3.2542 -3.2203 -3.2203 2.8447 2.8447 2.9861 2.9861 3.1919 3.1919 3.2800 3.2800 4.0193 4.0193 4.5084 4.5084 4.7406 4.7406 5.0258 5.0258 5.2324 5.2324 5.4992 5.4992 5.5976 5.5976 5.9606 5.9606 8.0309 8.0309 8.2407 8.2407 8.3896 8.3896 8.6775 8.6775 k = 0.4268 0.2950-0.0003 ( 13654 PWs) bands (ev): -50.2319 -50.2319 -26.9239 -26.9239 -26.2924 -26.2924 -26.2417 -26.2417 -3.6073 -3.6073 -3.5567 -3.5567 -3.2391 -3.2391 -3.2150 -3.2150 2.8602 2.8602 3.0029 3.0029 3.2244 3.2244 3.3047 3.3047 3.9476 3.9476 4.4895 4.4895 4.7860 4.7860 5.0637 5.0637 5.2228 5.2228 5.4922 5.4922 5.5930 5.5930 5.9958 5.9958 8.0313 8.0313 8.2453 8.2453 8.3773 8.3773 8.6975 8.6975 k = 0.4146 0.2950-0.0003 ( 13654 PWs) bands (ev): -50.2319 -50.2319 -26.9238 -26.9238 -26.2922 -26.2922 -26.2417 -26.2417 -3.6509 -3.6509 -3.5721 -3.5721 -3.2271 -3.2271 -3.2092 -3.2092 2.8790 2.8790 3.0246 3.0246 3.2444 3.2444 3.3474 3.3474 3.8767 3.8767 4.4712 4.4712 4.8237 4.8237 5.0995 5.0995 5.2224 5.2224 5.4857 5.4857 5.5892 5.5892 6.0318 6.0318 8.0311 8.0311 8.2508 8.2508 8.3660 8.3660 8.7174 8.7174 k = 0.4024 0.2950-0.0003 ( 13660 PWs) bands (ev): -50.2319 -50.2319 -26.9236 -26.9236 -26.2920 -26.2920 -26.2417 -26.2417 -3.6957 -3.6957 -3.5889 -3.5889 -3.2180 -3.2180 -3.2033 -3.2033 2.9006 2.9006 3.0508 3.0508 3.2569 3.2569 3.4016 3.4016 3.8083 3.8083 4.4542 4.4542 4.8510 4.8510 5.1286 5.1286 5.2380 5.2380 5.4808 5.4808 5.5859 5.5859 6.0676 6.0676 8.0302 8.0302 8.2573 8.2573 8.3558 8.3558 8.7363 8.7363 k = 0.3902 0.2950-0.0003 ( 13658 PWs) bands (ev): -50.2319 -50.2319 -26.9235 -26.9235 -26.2917 -26.2917 -26.2417 -26.2417 -3.7415 -3.7415 -3.6068 -3.6068 -3.2114 -3.2114 -3.1979 -3.1979 2.9244 2.9244 3.0811 3.0811 3.2676 3.2676 3.4590 3.4590 3.7455 3.7455 4.4390 4.4390 4.8660 4.8660 5.1514 5.1514 5.2708 5.2708 5.4782 5.4782 5.5827 5.5827 6.1026 6.1026 8.0284 8.0284 8.2648 8.2648 8.3468 8.3468 8.7535 8.7535 k = 0.3780 0.2950-0.0003 ( 13654 PWs) bands (ev): -50.2320 -50.2320 -26.9233 -26.9233 -26.2914 -26.2914 -26.2418 -26.2418 -3.7880 -3.7880 -3.6257 -3.6257 -3.2069 -3.2069 -3.1932 -3.1932 2.9491 2.9491 3.1149 3.1149 3.2790 3.2790 3.5091 3.5091 3.6972 3.6972 4.4260 4.4260 4.8692 4.8692 5.1733 5.1733 5.3144 5.3144 5.4789 5.4789 5.5801 5.5801 6.1361 6.1361 8.0257 8.0257 8.2731 8.2731 8.3390 8.3390 8.7689 8.7689 k = 0.3659 0.2950-0.0003 ( 13658 PWs) bands (ev): -50.2320 -50.2320 -26.9232 -26.9232 -26.2911 -26.2911 -26.2418 -26.2418 -3.8350 -3.8350 -3.6454 -3.6454 -3.2046 -3.2046 -3.1893 -3.1893 2.9731 2.9731 3.1505 3.1505 3.2925 3.2925 3.5273 3.5273 3.6886 3.6886 4.4156 4.4156 4.8636 4.8636 5.1971 5.1971 5.3618 5.3618 5.4838 5.4838 5.5793 5.5793 6.1676 6.1676 8.0222 8.0222 8.2816 8.2816 8.3324 8.3324 8.7824 8.7824 k = 0.3537 0.2950-0.0003 ( 13646 PWs) bands (ev): -50.2320 -50.2320 -26.9230 -26.9230 -26.2907 -26.2907 -26.2418 -26.2418 -3.8824 -3.8824 -3.6657 -3.6657 -3.2047 -3.2047 -3.1859 -3.1859 2.9943 2.9943 3.1851 3.1851 3.3089 3.3089 3.5066 3.5066 3.7290 3.7290 4.4082 4.4082 4.8532 4.8532 5.2220 5.2220 5.4062 5.4062 5.4950 5.4950 5.5827 5.5827 6.1965 6.1965 8.0180 8.0180 8.2884 8.2884 8.3280 8.3280 8.7943 8.7943 k = 0.3415 0.2950-0.0003 ( 13648 PWs) bands (ev): -50.2321 -50.2321 -26.9228 -26.9228 -26.2903 -26.2903 -26.2418 -26.2418 -3.9297 -3.9297 -3.6864 -3.6864 -3.2072 -3.2072 -3.1828 -3.1828 3.0103 3.0103 3.2128 3.2128 3.3276 3.3276 3.4836 3.4836 3.7887 3.7887 4.4040 4.4040 4.8421 4.8421 5.2464 5.2464 5.4389 5.4389 5.5144 5.5144 5.5964 5.5964 6.2227 6.2227 8.0134 8.0134 8.2891 8.2891 8.3295 8.3295 8.8052 8.8052 k = 0.3293 0.2950-0.0003 ( 13648 PWs) bands (ev): -50.2321 -50.2321 -26.9226 -26.9226 -26.2900 -26.2900 -26.2418 -26.2418 -3.9770 -3.9770 -3.7075 -3.7075 -3.2120 -3.2120 -3.1800 -3.1800 3.0180 3.0180 3.2250 3.2250 3.3471 3.3471 3.4851 3.4851 3.8513 3.8513 4.4034 4.4034 4.8337 4.8337 5.2692 5.2692 5.4571 5.4571 5.5357 5.5357 5.6293 5.6293 6.2458 6.2458 8.0086 8.0086 8.2813 8.2813 8.3382 8.3382 8.8159 8.8159 k = 0.3171 0.2950-0.0003 ( 13656 PWs) bands (ev): -50.2322 -50.2322 -26.9224 -26.9224 -26.2896 -26.2896 -26.2418 -26.2418 -4.0240 -4.0240 -3.7288 -3.7288 -3.2188 -3.2188 -3.1775 -3.1775 3.0143 3.0143 3.2183 3.2183 3.3704 3.3704 3.5181 3.5181 3.9106 3.9106 4.4065 4.4065 4.8309 4.8309 5.2896 5.2896 5.4669 5.4669 5.5536 5.5536 5.6804 5.6804 6.2659 6.2659 8.0038 8.0038 8.2672 8.2672 8.3514 8.3514 8.8271 8.8271 k = 0.3049 0.2950-0.0003 ( 13652 PWs) bands (ev): -50.2322 -50.2322 -26.9221 -26.9221 -26.2892 -26.2892 -26.2418 -26.2418 -4.0705 -4.0705 -3.7502 -3.7502 -3.2275 -3.2275 -3.1753 -3.1753 2.9969 2.9969 3.2022 3.2022 3.4007 3.4007 3.5728 3.5728 3.9626 3.9626 4.4135 4.4135 4.8364 4.8364 5.3076 5.3076 5.4730 5.4730 5.5719 5.5719 5.7414 5.7414 6.2831 6.2831 7.9990 7.9990 8.2483 8.2483 8.3667 8.3667 8.8394 8.8394 k = 0.2927 0.2950-0.0003 ( 13654 PWs) bands (ev): -50.2322 -50.2322 -26.9219 -26.9219 -26.2887 -26.2887 -26.2418 -26.2418 -4.1164 -4.1164 -3.7715 -3.7715 -3.2378 -3.2378 -3.1736 -3.1736 2.9659 2.9659 3.1865 3.1865 3.4369 3.4369 3.6402 3.6402 4.0048 4.0048 4.4246 4.4246 4.8518 4.8518 5.3236 5.3236 5.4779 5.4779 5.5934 5.5934 5.8063 5.8063 6.2981 6.2981 7.9944 7.9944 8.2256 8.2256 8.3830 8.3830 8.8529 8.8529 k = 0.2805 0.2950-0.0003 ( 13648 PWs) bands (ev): -50.2323 -50.2323 -26.9217 -26.9217 -26.2883 -26.2883 -26.2418 -26.2418 -4.1615 -4.1615 -3.7927 -3.7927 -3.2494 -3.2494 -3.1722 -3.1722 2.9245 2.9245 3.1739 3.1739 3.4774 3.4774 3.7150 3.7150 4.0358 4.0358 4.4397 4.4397 4.8770 4.8770 5.3385 5.3385 5.4839 5.4839 5.6186 5.6186 5.8721 5.8721 6.3121 6.3121 7.9898 7.9898 8.1995 8.1995 8.3996 8.3996 8.8676 8.8676 k = 0.2683 0.2950-0.0003 ( 13640 PWs) bands (ev): -50.2323 -50.2323 -26.9215 -26.9215 -26.2879 -26.2879 -26.2418 -26.2418 -4.2057 -4.2057 -3.8137 -3.8137 -3.2622 -3.2622 -3.1712 -3.1712 2.8767 2.8767 3.1635 3.1635 3.5210 3.5210 3.7939 3.7939 4.0563 4.0563 4.4589 4.4589 4.9102 4.9102 5.3534 5.3534 5.4931 5.4931 5.6475 5.6475 5.9359 5.9359 6.3269 6.3269 7.9850 7.9850 8.1708 8.1708 8.4159 8.4159 8.8832 8.8832 k = 0.2561 0.2950-0.0003 ( 13646 PWs) bands (ev): -50.2324 -50.2324 -26.9212 -26.9212 -26.2875 -26.2875 -26.2418 -26.2418 -4.2487 -4.2487 -3.8343 -3.8343 -3.2759 -3.2759 -3.1706 -3.1706 2.8259 2.8259 3.1540 3.1540 3.5670 3.5670 3.8730 3.8730 4.0696 4.0696 4.4823 4.4823 4.9474 4.9474 5.3690 5.3690 5.5081 5.5081 5.6798 5.6798 5.9946 5.9946 6.3456 6.3456 7.9793 7.9793 8.1404 8.1404 8.4311 8.4311 8.8994 8.8994 k = 0.2439 0.2950-0.0003 ( 13636 PWs) bands (ev): -50.2324 -50.2324 -26.9210 -26.9210 -26.2870 -26.2870 -26.2418 -26.2418 -4.2906 -4.2906 -3.8546 -3.8546 -3.2903 -3.2903 -3.1702 -3.1702 2.7739 2.7739 3.1446 3.1446 3.6143 3.6143 3.9445 3.9445 4.0839 4.0839 4.5097 4.5097 4.9841 4.9841 5.3847 5.3847 5.5326 5.5326 5.7153 5.7153 6.0443 6.0443 6.3725 6.3725 7.9718 7.9718 8.1097 8.1097 8.4448 8.4448 8.9155 8.9155 k = 0.2317 0.2950-0.0003 ( 13644 PWs) bands (ev): -50.2325 -50.2325 -26.9208 -26.9208 -26.2866 -26.2866 -26.2417 -26.2417 -4.3311 -4.3311 -3.8743 -3.8743 -3.3052 -3.3052 -3.1702 -3.1702 2.7221 2.7221 3.1349 3.1349 3.6622 3.6622 3.9905 3.9905 4.1183 4.1183 4.5413 4.5413 5.0164 5.0164 5.3989 5.3989 5.5693 5.5693 5.7541 5.7541 6.0823 6.0823 6.4114 6.4114 7.9606 7.9606 8.0809 8.0809 8.4562 8.4562 8.9310 8.9310 k = 0.2195 0.2950-0.0003 ( 13654 PWs) bands (ev): -50.2325 -50.2325 -26.9205 -26.9205 -26.2862 -26.2862 -26.2417 -26.2417 -4.3702 -4.3702 -3.8935 -3.8935 -3.3205 -3.3205 -3.1705 -3.1705 2.6713 2.6713 3.1247 3.1247 3.7092 3.7092 4.0043 4.0043 4.1805 4.1805 4.5773 4.5773 5.0426 5.0426 5.4107 5.4107 5.6177 5.6177 5.7963 5.7963 6.1091 6.1091 6.4636 6.4636 7.9431 7.9431 8.0569 8.0569 8.4646 8.4646 8.9452 8.9452 k = 0.2073 0.2950-0.0003 ( 13670 PWs) bands (ev): -50.2326 -50.2326 -26.9203 -26.9203 -26.2858 -26.2858 -26.2417 -26.2417 -4.4077 -4.4077 -3.9121 -3.9121 -3.3360 -3.3360 -3.1710 -3.1710 2.6220 2.6220 3.1141 3.1141 3.7530 3.7530 4.0055 4.0055 4.2524 4.2524 4.6179 4.6179 5.0635 5.0635 5.4208 5.4208 5.6715 5.6715 5.8427 5.8427 6.1302 6.1302 6.5271 6.5271 7.9173 7.9173 8.0397 8.0397 8.4696 8.4696 8.9572 8.9572 k = 0.1951 0.2950-0.0003 ( 13672 PWs) bands (ev): -50.2326 -50.2326 -26.9201 -26.9201 -26.2854 -26.2854 -26.2416 -26.2416 -4.4435 -4.4435 -3.9299 -3.9299 -3.3514 -3.3514 -3.1717 -3.1717 2.5745 2.5745 3.1032 3.1032 3.7894 3.7894 4.0087 4.0087 4.3223 4.3223 4.6629 4.6629 5.0807 5.0807 5.4307 5.4307 5.7209 5.7209 5.8943 5.8943 6.1543 6.1543 6.5988 6.5988 7.8839 7.8839 8.0287 8.0287 8.4703 8.4703 8.9659 8.9659 k = 0.1829 0.2950-0.0003 ( 13676 PWs) bands (ev): -50.2327 -50.2327 -26.9199 -26.9199 -26.2850 -26.2850 -26.2416 -26.2416 -4.4777 -4.4777 -3.9470 -3.9470 -3.3667 -3.3667 -3.1726 -3.1726 2.5291 2.5291 3.0921 3.0921 3.8129 3.8129 4.0232 4.0232 4.3853 4.3853 4.7115 4.7115 5.0968 5.0968 5.4425 5.4425 5.7559 5.7559 5.9491 5.9491 6.1922 6.1922 6.6761 6.6761 7.8450 7.8450 8.0220 8.0220 8.4665 8.4665 8.9700 8.9700 k = 0.1707 0.2950-0.0003 ( 13674 PWs) bands (ev): -50.2327 -50.2327 -26.9197 -26.9197 -26.2846 -26.2846 -26.2416 -26.2416 -4.5099 -4.5099 -3.9632 -3.9632 -3.3816 -3.3816 -3.1736 -3.1736 2.4860 2.4860 3.0810 3.0810 3.8205 3.8205 4.0535 4.0535 4.4395 4.4395 4.7614 4.7614 5.1133 5.1133 5.4585 5.4585 5.7719 5.7719 6.0029 6.0029 6.2519 6.2519 6.7570 6.7570 7.8024 7.8024 8.0176 8.0176 8.4576 8.4576 8.9677 8.9677 k = 0.1585 0.2950-0.0003 ( 13674 PWs) bands (ev): -50.2327 -50.2327 -26.9195 -26.9195 -26.2843 -26.2843 -26.2415 -26.2415 -4.5403 -4.5403 -3.9786 -3.9786 -3.3962 -3.3962 -3.1747 -3.1747 2.4455 2.4455 3.0700 3.0700 3.8157 3.8157 4.0972 4.0972 4.4847 4.4847 4.8093 4.8093 5.1312 5.1312 5.4812 5.4812 5.7696 5.7696 6.0535 6.0535 6.3336 6.3336 6.8403 6.8403 7.7572 7.7572 8.0144 8.0144 8.4436 8.4436 8.9579 8.9579 k = 0.1463 0.2950-0.0003 ( 13664 PWs) bands (ev): -50.2328 -50.2328 -26.9193 -26.9193 -26.2840 -26.2840 -26.2415 -26.2415 -4.5687 -4.5687 -3.9930 -3.9930 -3.4101 -3.4101 -3.1758 -3.1758 2.4075 2.4075 3.0592 3.0592 3.8038 3.8038 4.1493 4.1493 4.5217 4.5217 4.8523 4.8523 5.1499 5.1499 5.5130 5.5130 5.7530 5.7530 6.1021 6.1021 6.4314 6.4314 6.9252 6.9252 7.7098 7.7098 8.0115 8.0115 8.4245 8.4245 8.9415 8.9415 k = 0.1341 0.2950-0.0003 ( 13660 PWs) bands (ev): -50.2328 -50.2328 -26.9191 -26.9191 -26.2837 -26.2837 -26.2414 -26.2414 -4.5951 -4.5951 -4.0064 -4.0064 -3.4233 -3.4233 -3.1770 -3.1770 2.3723 2.3723 3.0488 3.0488 3.7885 3.7885 4.2065 4.2065 4.5515 4.5515 4.8888 4.8888 5.1673 5.1673 5.5546 5.5546 5.7270 5.7270 6.1504 6.1504 6.5386 6.5386 7.0111 7.0111 7.6606 7.6606 8.0085 8.0085 8.4006 8.4006 8.9211 8.9211 k = 0.1220 0.2950-0.0003 ( 13674 PWs) bands (ev): -50.2328 -50.2328 -26.9190 -26.9190 -26.2834 -26.2834 -26.2414 -26.2414 -4.6193 -4.6193 -4.0188 -4.0188 -3.4357 -3.4357 -3.1782 -3.1782 2.3399 2.3399 3.0389 3.0389 3.7719 3.7719 4.2667 4.2667 4.5754 4.5754 4.9187 4.9187 5.1817 5.1817 5.6011 5.6011 5.6993 5.6993 6.1993 6.1993 6.6506 6.6506 7.0975 7.0975 7.6097 7.6097 8.0047 8.0047 8.3727 8.3727 8.8992 8.8992 k = 0.1098 0.2950-0.0003 ( 13674 PWs) bands (ev): -50.2329 -50.2329 -26.9188 -26.9188 -26.2831 -26.2831 -26.2414 -26.2414 -4.6414 -4.6414 -4.0302 -4.0302 -3.4472 -3.4472 -3.1794 -3.1794 2.3104 2.3104 3.0296 3.0296 3.7554 3.7554 4.3285 4.3285 4.5945 4.5945 4.9432 4.9432 5.1921 5.1921 5.6189 5.6189 5.7035 5.7035 6.2491 6.2491 6.7643 6.7643 7.1839 7.1839 7.5572 7.5572 7.9995 7.9995 8.3418 8.3418 8.8771 8.8771 k = 0.0976 0.2950-0.0003 ( 13674 PWs) bands (ev): -50.2329 -50.2329 -26.9187 -26.9187 -26.2829 -26.2829 -26.2413 -26.2413 -4.6613 -4.6613 -4.0404 -4.0404 -3.4578 -3.4578 -3.1805 -3.1805 2.2838 2.2838 3.0210 3.0210 3.7395 3.7395 4.3910 4.3910 4.6099 4.6099 4.9634 4.9634 5.1984 5.1984 5.5872 5.5872 5.7584 5.7584 6.3001 6.3001 6.8774 6.8774 7.2696 7.2696 7.5032 7.5032 7.9918 7.9918 8.3097 8.3097 8.8552 8.8552 k = 0.0854 0.2950-0.0003 ( 13678 PWs) bands (ev): -50.2329 -50.2329 -26.9186 -26.9186 -26.2827 -26.2827 -26.2413 -26.2413 -4.6790 -4.6790 -4.0495 -4.0495 -3.4672 -3.4672 -3.1816 -3.1816 2.2602 2.2602 3.0132 3.0132 3.7248 3.7248 4.4527 4.4527 4.6233 4.6233 4.9798 4.9798 5.2012 5.2012 5.5436 5.5436 5.8238 5.8238 6.3525 6.3525 6.9882 6.9882 7.3531 7.3531 7.4487 7.4487 7.9800 7.9800 8.2787 8.2787 8.8324 8.8324 k = 0.0732 0.2950-0.0003 ( 13674 PWs) bands (ev): -50.2330 -50.2330 -26.9185 -26.9185 -26.2825 -26.2825 -26.2412 -26.2412 -4.6943 -4.6943 -4.0575 -4.0575 -3.4756 -3.4756 -3.1825 -3.1825 2.2397 2.2397 3.0064 3.0064 3.7116 3.7116 4.5112 4.5112 4.6372 4.6372 4.9926 4.9926 5.2009 5.2009 5.4978 5.4978 5.8878 5.8878 6.4067 6.4067 7.0954 7.0954 7.3867 7.3867 7.4402 7.4402 7.9624 7.9624 8.2517 8.2517 8.8057 8.8057 k = 0.0610 0.2950-0.0003 ( 13682 PWs) bands (ev): -50.2330 -50.2330 -26.9184 -26.9184 -26.2824 -26.2824 -26.2412 -26.2412 -4.7074 -4.7074 -4.0642 -4.0642 -3.4827 -3.4827 -3.1834 -3.1834 2.2223 2.2223 3.0004 3.0004 3.7002 3.7002 4.5607 4.5607 4.6573 4.6573 5.0013 5.0013 5.1978 5.1978 5.4532 5.4532 5.9460 5.9460 6.4627 6.4627 7.1978 7.1978 7.3319 7.3319 7.5150 7.5150 7.9367 7.9367 8.2320 8.2320 8.7700 8.7701 k = 0.0488 0.2950-0.0003 ( 13688 PWs) bands (ev): -50.2330 -50.2330 -26.9183 -26.9183 -26.2822 -26.2822 -26.2412 -26.2412 -4.7181 -4.7181 -4.0698 -4.0698 -3.4887 -3.4887 -3.1841 -3.1841 2.2080 2.2080 2.9955 2.9955 3.6906 3.6906 4.5924 4.5924 4.6920 4.6920 5.0051 5.0051 5.1917 5.1917 5.4126 5.4126 5.9954 5.9954 6.5194 6.5194 7.2740 7.2740 7.2962 7.2962 7.5846 7.5846 7.9020 7.9020 8.2221 8.2221 8.7245 8.7245 k = 0.0366 0.2950-0.0003 ( 13674 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2821 -26.2821 -26.2412 -26.2412 -4.7265 -4.7265 -4.0741 -4.0741 -3.4933 -3.4933 -3.1847 -3.1847 2.1968 2.1968 2.9917 2.9917 3.6831 3.6831 4.6074 4.6074 4.7394 4.7394 5.0024 5.0024 5.1833 5.1833 5.3790 5.3790 6.0344 6.0344 6.5743 6.5743 7.2215 7.2215 7.3852 7.3852 7.6435 7.6435 7.8589 7.8589 8.2224 8.2224 8.6749 8.6749 k = 0.0244 0.2950-0.0003 ( 13666 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2821 -26.2821 -26.2412 -26.2412 -4.7325 -4.7325 -4.0773 -4.0773 -3.4966 -3.4966 -3.1851 -3.1851 2.1889 2.1889 2.9889 2.9889 3.6777 3.6777 4.6141 4.6141 4.7886 4.7886 4.9923 4.9923 5.1740 5.1740 5.3546 5.3546 6.0624 6.0624 6.6230 6.6230 7.1746 7.1746 7.4665 7.4665 7.6875 7.6875 7.8110 7.8110 8.2308 8.2308 8.6286 8.6286 k = 0.0122 0.2950-0.0003 ( 13656 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.7361 -4.7361 -4.0791 -4.0791 -3.4986 -3.4986 -3.1853 -3.1853 2.1841 2.1841 2.9872 2.9872 3.6744 3.6744 4.6172 4.6172 4.8297 4.8297 4.9769 4.9769 5.1667 5.1667 5.3403 5.3403 6.0791 6.0791 6.6582 6.6582 7.1409 7.1409 7.5333 7.5333 7.7102 7.7102 7.7686 7.7686 8.2414 8.2414 8.5942 8.5942 k = 0.0000 0.2950-0.0003 ( 13658 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.7373 -4.7373 -4.0797 -4.0797 -3.4993 -3.4993 -3.1854 -3.1854 2.1825 2.1825 2.9866 2.9866 3.6733 3.6733 4.6181 4.6181 4.8477 4.8477 4.9677 4.9677 5.1640 5.1640 5.3357 5.3357 6.0847 6.0847 6.6713 6.6713 7.1283 7.1283 7.5642 7.5642 7.7094 7.7094 7.7543 7.7543 8.2464 8.2464 8.5812 8.5812 k = 0.0000 0.2950-0.0003 ( 13658 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.7373 -4.7373 -4.0797 -4.0797 -3.4993 -3.4993 -3.1854 -3.1854 2.1825 2.1825 2.9866 2.9866 3.6733 3.6733 4.6181 4.6181 4.8477 4.8477 4.9677 4.9677 5.1640 5.1640 5.3357 5.3357 6.0847 6.0847 6.6713 6.6713 7.1283 7.1283 7.5642 7.5642 7.7094 7.7094 7.7543 7.7543 8.2464 8.2464 8.5812 8.5812 k = 0.0000 0.2951 0.0117 ( 13664 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.7361 -4.7361 -4.0792 -4.0792 -3.5003 -3.5003 -3.1875 -3.1875 2.1864 2.1864 2.9876 2.9876 3.6743 3.6743 4.6176 4.6176 4.8406 4.8406 4.9644 4.9644 5.1714 5.1714 5.3410 5.3410 6.0830 6.0830 6.6692 6.6692 7.1304 7.1304 7.5339 7.5339 7.7114 7.7114 7.7677 7.7677 8.2444 8.2444 8.5883 8.5883 k = 0.0000 0.2951 0.0238 ( 13668 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.7326 -4.7326 -4.0774 -4.0774 -3.5032 -3.5032 -3.1936 -3.1936 2.1982 2.1982 2.9907 2.9907 3.6774 3.6774 4.6157 4.6157 4.8200 4.8200 4.9585 4.9585 5.1890 5.1890 5.3573 5.3573 6.0781 6.0781 6.6629 6.6629 7.1364 7.1364 7.4687 7.4687 7.6889 7.6889 7.8113 7.8113 8.2400 8.2400 8.6074 8.6074 k = 0.0000 0.2951 0.0359 ( 13689 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.7269 -4.7269 -4.0744 -4.0744 -3.5082 -3.5082 -3.2038 -3.2038 2.2177 2.2177 2.9958 2.9958 3.6824 3.6824 4.6102 4.6102 4.7905 4.7905 4.9554 4.9554 5.2084 5.2084 5.3849 5.3849 6.0702 6.0702 6.6531 6.6531 7.1459 7.1459 7.3895 7.3895 7.6454 7.6454 7.8623 7.8623 8.2366 8.2366 8.6341 8.6341 k = 0.0000 0.2951 0.0479 ( 13696 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.7188 -4.7188 -4.0702 -4.0702 -3.5151 -3.5151 -3.2178 -3.2178 2.2447 2.2447 3.0031 3.0031 3.6895 3.6895 4.5971 4.5971 4.7606 4.7606 4.9560 4.9560 5.2254 5.2254 5.4221 5.4221 6.0594 6.0594 6.6405 6.6405 7.1581 7.1581 7.3020 7.3020 7.5885 7.5885 7.9098 7.9098 8.2376 8.2376 8.6638 8.6638 k = 0.0000 0.2951 0.0600 ( 13695 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.7084 -4.7084 -4.0649 -4.0649 -3.5240 -3.5240 -3.2353 -3.2353 2.2788 2.2788 3.0127 3.0127 3.6984 3.6984 4.5711 4.5711 4.7391 4.7391 4.9594 4.9594 5.2398 5.2398 5.4660 5.4660 6.0462 6.0462 6.6259 6.6259 7.1704 7.1704 7.2092 7.2092 7.5230 7.5230 7.9498 7.9498 8.2452 8.2452 8.6933 8.6933 k = 0.0000 0.2951 0.0720 ( 13685 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.6958 -4.6958 -4.0584 -4.0584 -3.5349 -3.5349 -3.2562 -3.2562 2.3198 2.3198 3.0248 3.0248 3.7092 3.7092 4.5313 4.5313 4.7293 4.7293 4.9647 4.9647 5.2525 5.2525 5.5134 5.5134 6.0311 6.0311 6.6100 6.6100 7.1026 7.1026 7.1916 7.1916 7.4529 7.4529 7.9799 7.9799 8.2607 8.2607 8.7210 8.7210 k = 0.0000 0.2951 0.0841 ( 13672 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.6810 -4.6810 -4.0508 -4.0508 -3.5479 -3.5479 -3.2800 -3.2800 2.3671 2.3671 3.0396 3.0396 3.7216 3.7216 4.4815 4.4815 4.7285 4.7285 4.9712 4.9712 5.2644 5.2644 5.5619 5.5619 6.0149 6.0149 6.5933 6.5933 6.9952 6.9952 7.2085 7.2085 7.3810 7.3810 7.9997 7.9997 8.2838 8.2838 8.7461 8.7461 k = 0.0000 0.2951 0.0961 ( 13661 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.6640 -4.6640 -4.0421 -4.0421 -3.5630 -3.5630 -3.3063 -3.3063 2.4202 2.4202 3.0573 3.0573 3.7356 3.7356 4.4262 4.4262 4.7329 4.7329 4.9782 4.9782 5.2760 5.2760 5.6098 5.6098 5.9984 5.9984 6.5765 6.5765 6.8820 6.8820 7.2265 7.2265 7.3096 7.3096 8.0102 8.0102 8.3127 8.3127 8.7687 8.7687 k = 0.0000 0.2952 0.1082 ( 13667 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.6448 -4.6448 -4.0323 -4.0323 -3.5804 -3.5804 -3.3348 -3.3348 2.4782 2.4782 3.0785 3.0785 3.7508 3.7508 4.3683 4.3683 4.7401 4.7401 4.9852 4.9852 5.2877 5.2877 5.6554 5.6554 5.9825 5.9825 6.5594 6.5594 6.7650 6.7650 7.2337 7.2337 7.2514 7.2514 8.0136 8.0136 8.3447 8.3447 8.7889 8.7889 k = 0.0000 0.2952 0.1202 ( 13662 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.6236 -4.6236 -4.0215 -4.0215 -3.6000 -3.6000 -3.3648 -3.3648 2.5402 2.5402 3.1035 3.1035 3.7671 3.7671 4.3095 4.3095 4.7485 4.7485 4.9917 4.9917 5.2993 5.2993 5.6972 5.6972 5.9683 5.9683 6.5405 6.5405 6.6478 6.6478 7.1697 7.1697 7.2671 7.2671 8.0119 8.0119 8.3776 8.3776 8.8069 8.8069 k = 0.0000 0.2952 0.1323 ( 13654 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.6002 -4.6002 -4.0097 -4.0097 -3.6221 -3.6221 -3.3958 -3.3958 2.6053 2.6053 3.1331 3.1331 3.7839 3.7839 4.2510 4.2510 4.7572 4.7572 4.9970 4.9970 5.3110 5.3110 5.7333 5.7333 5.9569 5.9569 6.4988 6.4988 6.5541 6.5541 7.1046 7.1046 7.2871 7.2871 8.0064 8.0064 8.4098 8.4098 8.8228 8.8228 k = 0.0000 0.2952 0.1444 ( 13666 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.5749 -4.5749 -3.9970 -3.9970 -3.6467 -3.6467 -3.4274 -3.4274 2.6721 2.6721 3.1680 3.1680 3.8006 3.8006 4.1940 4.1940 4.7655 4.7655 5.0007 5.0007 5.3226 5.3226 5.7607 5.7607 5.9493 5.9493 6.3954 6.3954 6.5259 6.5259 7.0424 7.0424 7.3079 7.3079 7.9980 7.9980 8.4403 8.4403 8.8366 8.8366 k = 0.0000 0.2952 0.1564 ( 13660 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.5477 -4.5477 -3.9835 -3.9835 -3.6739 -3.6739 -3.4589 -3.4589 2.7390 2.7390 3.2092 3.2092 3.8160 3.8160 4.1396 4.1396 4.7726 4.7726 5.0026 5.0026 5.3338 5.3338 5.7755 5.7755 5.9453 5.9453 6.2880 6.2880 6.5114 6.5114 6.9836 6.9836 7.3293 7.3293 7.9873 7.9873 8.4686 8.4686 8.8484 8.8484 k = 0.0000 0.2952 0.1685 ( 13658 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.5186 -4.5186 -3.9693 -3.9693 -3.7035 -3.7035 -3.4900 -3.4900 2.8045 2.8045 3.2576 3.2576 3.8283 3.8283 4.0901 4.0901 4.7779 4.7779 5.0024 5.0024 5.3446 5.3446 5.7713 5.7713 5.9430 5.9430 6.1969 6.1969 6.4997 6.4997 6.9284 6.9284 7.3513 7.3513 7.9748 7.9748 8.4943 8.4943 8.8579 8.8579 k = 0.0000 0.2952 0.1805 ( 13662 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4878 -4.4878 -3.9546 -3.9546 -3.7354 -3.7354 -3.5203 -3.5203 2.8670 2.8670 3.3140 3.3140 3.8341 3.8341 4.0486 4.0486 4.7806 4.7806 5.0006 5.0006 5.3546 5.3546 5.7394 5.7394 5.9393 5.9393 6.1361 6.1361 6.4897 6.4897 6.8771 6.8771 7.3739 7.3739 7.9606 7.9606 8.5175 8.5175 8.8651 8.8651 k = 0.0000 0.2952 0.1926 ( 13663 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4555 -4.4555 -3.9400 -3.9400 -3.7688 -3.7688 -3.5496 -3.5496 2.9253 2.9253 3.3786 3.3786 3.8285 3.8285 4.0200 4.0200 4.7802 4.7802 4.9974 4.9974 5.3632 5.3632 5.6763 5.6763 5.9355 5.9355 6.1095 6.1095 6.4812 6.4812 6.8303 6.8303 7.3972 7.3972 7.9448 7.9448 8.5380 8.5380 8.8700 8.8700 k = 0.0000 0.2953 0.2046 ( 13668 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.4216 -4.4216 -3.9266 -3.9266 -3.8022 -3.8022 -3.5778 -3.5778 2.9788 2.9788 3.4506 3.4506 3.8086 3.8086 4.0071 4.0071 4.7757 4.7757 4.9937 4.9937 5.3688 5.3688 5.5925 5.5925 5.9353 5.9353 6.1054 6.1054 6.4739 6.4739 6.7883 6.7883 7.4210 7.4210 7.9278 7.9278 8.5560 8.5560 8.8725 8.8725 k = 0.0000 0.2953 0.2167 ( 13683 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.3866 -4.3866 -3.9180 -3.9180 -3.8317 -3.8317 -3.6049 -3.6049 3.0274 3.0274 3.5283 3.5283 3.7779 3.7779 4.0064 4.0064 4.7666 4.7666 4.9901 4.9901 5.3658 5.3658 5.5073 5.5073 5.9390 5.9390 6.1109 6.1109 6.4678 6.4678 6.7513 6.7513 7.4451 7.4451 7.9096 7.9096 8.5715 8.5715 8.8730 8.8730 k = 0.0000 0.2953 0.2287 ( 13664 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.3506 -4.3506 -3.9245 -3.9245 -3.8466 -3.8466 -3.6309 -3.6309 3.0711 3.0711 3.6088 3.6088 3.7431 3.7431 4.0117 4.0117 4.7526 4.7526 4.9873 4.9873 5.3350 5.3350 5.4499 5.4499 5.9450 5.9450 6.1193 6.1193 6.4626 6.4626 6.7199 6.7199 7.4690 7.4690 7.8909 7.8909 8.5844 8.5844 8.8719 8.8719 k = 0.0000 0.2953 0.2408 ( 13663 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.3142 -4.3142 -3.9501 -3.9501 -3.8421 -3.8421 -3.6556 -3.6556 3.1097 3.1097 3.6769 3.6769 3.7212 3.7212 4.0178 4.0178 4.7337 4.7337 4.9856 4.9856 5.2696 5.2696 5.4336 5.4336 5.9518 5.9518 6.1276 6.1276 6.4582 6.4582 6.6942 6.6942 7.4921 7.4921 7.8721 7.8721 8.5949 8.5949 8.8696 8.8696 k = 0.0000 0.2953 0.2528 ( 13657 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2782 -4.2782 -3.9837 -3.9837 -3.8287 -3.8287 -3.6789 -3.6789 3.1428 3.1428 3.6649 3.6649 3.7796 3.7796 4.0211 4.0211 4.7111 4.7111 4.9851 4.9851 5.2013 5.2013 5.4325 5.4325 5.9584 5.9584 6.1345 6.1345 6.4546 6.4546 6.6744 6.6744 7.5131 7.5131 7.8546 7.8546 8.6030 8.6030 8.8668 8.8668 k = 0.0000 0.2953 0.2649 ( 13651 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2444 -4.2444 -4.0175 -4.0175 -3.8130 -3.8130 -3.7001 -3.7001 3.1688 3.1688 3.6395 3.6395 3.8496 3.8496 4.0184 4.0184 4.6880 4.6880 4.9857 4.9857 5.1463 5.1463 5.4343 5.4343 5.9637 5.9637 6.1395 6.1395 6.4519 6.4519 6.6604 6.6604 7.5305 7.5305 7.8396 7.8396 8.6088 8.6088 8.8642 8.8642 k = 0.0000 0.2953 0.2770 ( 13656 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2170 -4.2170 -4.0452 -4.0452 -3.7990 -3.7990 -3.7170 -3.7170 3.1860 3.1860 3.6218 3.6218 3.9066 3.9066 4.0080 4.0080 4.6697 4.6697 4.9869 4.9869 5.1110 5.1110 5.4360 5.4360 5.9671 5.9671 6.1425 6.1425 6.4501 6.4501 6.6521 6.6521 7.5423 7.5423 7.8294 7.8294 8.6123 8.6123 8.8624 8.8624 k = 0.0000 0.2953 0.2890 ( 13656 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.2051 -4.2051 -4.0572 -4.0572 -3.7924 -3.7924 -3.7246 -3.7246 3.1923 3.1923 3.6153 3.6153 3.9341 3.9341 3.9977 3.9977 4.6624 4.6624 4.9875 4.9875 5.0983 5.0983 5.4367 5.4367 5.9682 5.9682 6.1436 6.1436 6.4493 6.4493 6.6493 6.6493 7.5467 7.5467 7.8256 7.8256 8.6134 8.6134 8.8617 8.8617 k = 0.5000 0.2947 0.2896 ( 13640 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5949 -3.5949 -3.4189 -3.4189 -3.2227 -3.2227 -3.1735 -3.1735 2.1026 2.1026 2.2646 2.2646 2.9583 2.9583 3.0087 3.0087 4.5788 4.5788 4.6986 4.6986 5.0074 5.0074 5.1851 5.1851 6.0048 6.0048 6.1621 6.1621 6.6117 6.6117 6.8180 6.8180 7.1174 7.1174 7.1288 7.1288 8.3823 8.3823 8.8518 8.8518 k = 0.5000 0.2829 0.2896 ( 13652 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5947 -3.5947 -3.4187 -3.4187 -3.2231 -3.2231 -3.1738 -3.1738 2.1030 2.1030 2.2647 2.2647 2.9603 2.9603 3.0110 3.0110 4.5787 4.5787 4.6980 4.6980 5.0073 5.0073 5.1852 5.1852 6.0009 6.0009 6.1574 6.1574 6.6071 6.6071 6.8122 6.8122 7.1216 7.1216 7.1342 7.1342 8.3823 8.3823 8.8518 8.8518 k = 0.5000 0.2712 0.2896 ( 13662 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5938 -3.5938 -3.4182 -3.4182 -3.2244 -3.2244 -3.1747 -3.1747 2.1043 2.1043 2.2652 2.2652 2.9660 2.9660 3.0176 3.0176 4.5786 4.5786 4.6963 4.6963 5.0072 5.0072 5.1853 5.1853 5.9896 5.9896 6.1436 6.1436 6.5943 6.5943 6.7966 6.7966 7.1334 7.1334 7.1488 7.1488 8.3824 8.3824 8.8518 8.8518 k = 0.5000 0.2594 0.2896 ( 13672 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5923 -3.5923 -3.4174 -3.4174 -3.2265 -3.2265 -3.1762 -3.1762 2.1064 2.1064 2.2661 2.2661 2.9753 2.9753 3.0285 3.0285 4.5784 4.5784 4.6936 4.6936 5.0071 5.0071 5.1856 5.1856 5.9708 5.9708 6.1209 6.1209 6.5748 6.5748 6.7737 6.7737 7.1511 7.1511 7.1701 7.1701 8.3825 8.3825 8.8518 8.8518 k = 0.5000 0.2476 0.2896 ( 13676 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5903 -3.5903 -3.4162 -3.4162 -3.2295 -3.2295 -3.1783 -3.1783 2.1093 2.1093 2.2673 2.2673 2.9883 2.9883 3.0437 3.0437 4.5780 4.5780 4.6897 4.6897 5.0071 5.0071 5.1861 5.1861 5.9449 5.9449 6.0899 6.0899 6.5504 6.5504 6.7463 6.7463 7.1728 7.1728 7.1954 7.1954 8.3826 8.3826 8.8517 8.8517 k = 0.5000 0.2358 0.2896 ( 13680 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5877 -3.5877 -3.4148 -3.4148 -3.2333 -3.2333 -3.1810 -3.1810 2.1129 2.1129 2.2690 2.2690 3.0047 3.0047 3.0629 3.0629 4.5775 4.5775 4.6847 4.6847 5.0074 5.0074 5.1869 5.1869 5.9120 5.9120 6.0510 6.0510 6.5227 6.5227 6.7161 6.7161 7.1969 7.1969 7.2226 7.2226 8.3828 8.3828 8.8517 8.8517 k = 0.5000 0.2240 0.2896 ( 13686 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5845 -3.5845 -3.4129 -3.4129 -3.2379 -3.2379 -3.1842 -3.1842 2.1173 2.1173 2.2712 2.2712 3.0246 3.0246 3.0861 3.0861 4.5767 4.5767 4.6786 4.6786 5.0079 5.0079 5.1881 5.1881 5.8724 5.8724 6.0050 6.0050 6.4932 6.4932 6.6845 6.6845 7.2219 7.2219 7.2503 7.2503 8.3829 8.3829 8.8516 8.8516 k = 0.5000 0.2122 0.2896 ( 13684 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5808 -3.5808 -3.4108 -3.4108 -3.2432 -3.2432 -3.1880 -3.1880 2.1222 2.1222 2.2738 2.2738 3.0477 3.0477 3.1130 3.1130 4.5757 4.5757 4.6714 4.6714 5.0089 5.0089 5.1898 5.1898 5.8268 5.8268 5.9527 5.9527 6.4627 6.4627 6.6521 6.6521 7.2468 7.2468 7.2775 7.2775 8.3832 8.3832 8.8514 8.8514 k = 0.5000 0.2004 0.2896 ( 13682 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5765 -3.5765 -3.4083 -3.4083 -3.2492 -3.2492 -3.1922 -3.1922 2.1278 2.1278 2.2770 2.2770 3.0740 3.0740 3.1434 3.1434 4.5744 4.5744 4.6632 4.6632 5.0105 5.0105 5.1921 5.1921 5.7756 5.7756 5.8952 5.8952 6.4318 6.4318 6.6196 6.6196 7.2708 7.2708 7.3035 7.3035 8.3834 8.3834 8.8513 8.8513 k = 0.5000 0.1886 0.2896 ( 13686 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5717 -3.5717 -3.4055 -3.4055 -3.2560 -3.2560 -3.1969 -3.1969 2.1338 2.1338 2.2807 2.2807 3.1032 3.1032 3.1770 3.1770 4.5727 4.5727 4.6541 4.6541 5.0126 5.0126 5.1950 5.1950 5.7194 5.7194 5.8332 5.8332 6.4010 6.4010 6.5870 6.5870 7.2935 7.2935 7.3278 7.3278 8.3836 8.3836 8.8511 8.8511 k = 0.5000 0.1768 0.2896 ( 13682 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5664 -3.5664 -3.4024 -3.4024 -3.2633 -3.2633 -3.2021 -3.2021 2.1402 2.1402 2.2849 2.2849 3.1351 3.1351 3.2136 3.2136 4.5707 4.5707 4.6443 4.6443 5.0154 5.0154 5.1985 5.1985 5.6592 5.6592 5.7676 5.7676 6.3704 6.3704 6.5547 6.5547 7.3144 7.3144 7.3504 7.3504 8.3839 8.3839 8.8510 8.8510 k = 0.5000 0.1651 0.2896 ( 13678 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5605 -3.5605 -3.3989 -3.3989 -3.2713 -3.2713 -3.2076 -3.2076 2.1469 2.1469 2.2896 2.2896 3.1696 3.1696 3.2527 3.2527 4.5684 4.5684 4.6341 4.6341 5.0189 5.0189 5.2026 5.2026 5.5956 5.5956 5.6993 5.6993 6.3403 6.3403 6.5228 6.5228 7.3334 7.3334 7.3710 7.3710 8.3842 8.3842 8.8507 8.8507 k = 0.5000 0.1533 0.2896 ( 13678 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5542 -3.5542 -3.3952 -3.3952 -3.2797 -3.2797 -3.2135 -3.2135 2.1539 2.1539 2.2947 2.2947 3.2063 3.2063 3.2941 3.2941 4.5660 4.5660 4.6236 4.6236 5.0229 5.0229 5.2071 5.2071 5.5295 5.5295 5.6291 5.6291 6.3108 6.3108 6.4914 6.4914 7.3505 7.3505 7.3895 7.3895 8.3844 8.3844 8.8505 8.8505 k = 0.5000 0.1415 0.2896 ( 13680 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5475 -3.5475 -3.3912 -3.3912 -3.2887 -3.2887 -3.2197 -3.2197 2.1609 2.1609 2.3002 2.3002 3.2450 3.2450 3.3372 3.3372 4.5636 4.5636 4.6133 4.6133 5.0274 5.0274 5.2116 5.2116 5.4620 5.4620 5.5578 5.5578 6.2821 6.2821 6.4608 6.4608 7.3655 7.3655 7.4060 7.4060 8.3847 8.3847 8.8502 8.8502 k = 0.5000 0.1297 0.2896 ( 13666 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5403 -3.5403 -3.3870 -3.3870 -3.2980 -3.2980 -3.2261 -3.2261 2.1679 2.1679 2.3059 2.3059 3.2852 3.2852 3.3817 3.3817 4.5614 4.5614 4.6036 4.6036 5.0320 5.0320 5.2150 5.2150 5.3945 5.3945 5.4865 5.4865 6.2542 6.2542 6.4311 6.4311 7.3786 7.3786 7.4206 7.4206 8.3849 8.3849 8.8500 8.8500 k = 0.5000 0.1179 0.2896 ( 13668 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5327 -3.5327 -3.3824 -3.3824 -3.3077 -3.3077 -3.2328 -3.2328 2.1747 2.1747 2.3117 2.3117 3.3265 3.3265 3.4270 3.4270 4.5597 4.5597 4.5949 4.5949 5.0363 5.0363 5.2142 5.2142 5.3302 5.3302 5.4164 5.4164 6.2274 6.2274 6.4026 6.4026 7.3899 7.3899 7.4332 7.4332 8.3851 8.3851 8.8497 8.8497 k = 0.5000 0.1061 0.2896 ( 13664 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5248 -3.5248 -3.3777 -3.3777 -3.3176 -3.3176 -3.2396 -3.2396 2.1813 2.1813 2.3176 2.3176 3.3683 3.3683 3.4725 3.4725 4.5587 4.5587 4.5878 4.5878 5.0394 5.0394 5.1989 5.1989 5.2782 5.2782 5.3510 5.3510 6.2019 6.2019 6.3756 6.3756 7.3994 7.3994 7.4441 7.4441 8.3853 8.3853 8.8494 8.8494 k = 0.5000 0.0943 0.2896 ( 13650 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5165 -3.5165 -3.3729 -3.3729 -3.3276 -3.3276 -3.2464 -3.2464 2.1876 2.1876 2.3233 2.3233 3.4100 3.4100 3.5173 3.5173 4.5586 4.5586 4.5831 4.5831 5.0394 5.0394 5.1555 5.1555 5.2427 5.2427 5.3023 5.3023 6.1779 6.1779 6.3503 6.3503 7.4074 7.4074 7.4534 7.4534 8.3855 8.3855 8.8492 8.8492 k = 0.5000 0.0825 0.2896 ( 13648 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.5081 -3.5081 -3.3680 -3.3680 -3.3375 -3.3375 -3.2533 -3.2533 2.1935 2.1935 2.3288 2.3288 3.4508 3.4508 3.5608 3.5608 4.5598 4.5598 4.5814 4.5814 5.0313 5.0313 5.0997 5.0997 5.1980 5.1980 5.2862 5.2862 6.1558 6.1558 6.3270 6.3270 7.4140 7.4140 7.4611 7.4611 8.3857 8.3857 8.8489 8.8489 k = 0.5000 0.0707 0.2896 ( 13638 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4995 -3.4995 -3.3636 -3.3636 -3.3469 -3.3469 -3.2600 -3.2600 2.1988 2.1988 2.3339 2.3339 3.4897 3.4897 3.6020 3.6020 4.5624 4.5624 4.5838 4.5838 5.0032 5.0032 5.0496 5.0496 5.1558 5.1558 5.2861 5.2861 6.1357 6.1357 6.3061 6.3061 7.4193 7.4193 7.4675 7.4675 8.3859 8.3859 8.8487 8.8487 k = 0.5000 0.0589 0.2896 ( 13620 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4909 -3.4909 -3.3627 -3.3627 -3.3526 -3.3526 -3.2666 -3.2666 2.2034 2.2034 2.3385 2.3385 3.5257 3.5257 3.6397 3.6397 4.5669 4.5669 4.5906 4.5906 4.9540 4.9540 5.0040 5.0040 5.1316 5.1316 5.2900 5.2900 6.1181 6.1181 6.2877 6.2877 7.4235 7.4235 7.4726 7.4726 8.3860 8.3860 8.8485 8.8485 k = 0.5000 0.0472 0.2896 ( 13624 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4825 -3.4825 -3.3694 -3.3694 -3.3504 -3.3504 -3.2727 -3.2727 2.2073 2.2073 2.3425 2.3425 3.5576 3.5576 3.6728 3.6728 4.5737 4.5737 4.6021 4.6021 4.9003 4.9003 4.9542 4.9542 5.1223 5.1223 5.2947 5.2947 6.1031 6.1031 6.2723 6.2723 7.4268 7.4268 7.4767 7.4767 8.3861 8.3861 8.8483 8.8483 k = 0.5000 0.0354 0.2896 ( 13620 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4748 -3.4748 -3.3776 -3.3776 -3.3463 -3.3463 -3.2782 -3.2782 2.2104 2.2104 2.3457 2.3457 3.5841 3.5841 3.7001 3.7001 4.5831 4.5831 4.6181 4.6181 4.8500 4.8500 4.9043 4.9043 5.1197 5.1197 5.2991 5.2991 6.0911 6.0911 6.2599 6.2599 7.4292 7.4292 7.4797 7.4797 8.3862 8.3862 8.8482 8.8482 k = 0.5000 0.0236 0.2896 ( 13626 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4681 -3.4681 -3.3847 -3.3847 -3.3426 -3.3426 -3.2828 -3.2828 2.2127 2.2127 2.3480 2.3480 3.6042 3.6042 3.7206 3.7206 4.5942 4.5942 4.6377 4.6377 4.8065 4.8065 4.8599 4.8599 5.1196 5.1196 5.3026 5.3026 6.0823 6.0823 6.2510 6.2510 7.4309 7.4309 7.4818 7.4818 8.3862 8.3862 8.8481 8.8481 k = 0.5000 0.0118 0.2896 ( 13630 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4635 -3.4635 -3.3896 -3.3896 -3.3401 -3.3401 -3.2858 -3.2858 2.2141 2.2141 2.3494 2.3494 3.6167 3.6167 3.7332 3.7332 4.6042 4.6042 4.6572 4.6572 4.7736 4.7736 4.8273 4.8273 5.1199 5.1199 5.3048 5.3048 6.0770 6.0770 6.2455 6.2455 7.4318 7.4318 7.4830 7.4830 8.3863 8.3863 8.8480 8.8480 k = 0.5000-0.0000 0.2896 ( 13628 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4618 -3.4618 -3.3914 -3.3914 -3.3391 -3.3391 -3.2869 -3.2869 2.2146 2.2146 2.3499 2.3499 3.6209 3.6209 3.7375 3.7375 4.6085 4.6085 4.6670 4.6670 4.7599 4.7599 4.8149 4.8149 5.1201 5.1201 5.3055 5.3055 6.0752 6.0752 6.2437 6.2437 7.4321 7.4321 7.4834 7.4834 8.3863 8.3863 8.8480 8.8480 k = 0.5000-0.0000 0.2896 ( 13628 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4618 -3.4618 -3.3914 -3.3914 -3.3391 -3.3391 -3.2869 -3.2869 2.2146 2.2146 2.3499 2.3499 3.6209 3.6209 3.7375 3.7375 4.6085 4.6085 4.6670 4.6670 4.7599 4.7599 4.8149 4.8149 5.1201 5.1201 5.3055 5.3055 6.0752 6.0752 6.2437 6.2437 7.4321 7.4321 7.4834 7.4834 8.3863 8.3863 8.8480 8.8480 k = 0.5000-0.0000 0.2776 ( 13626 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4624 -3.4624 -3.3909 -3.3909 -3.3444 -3.3444 -3.2816 -3.2816 2.2167 2.2167 2.3519 2.3519 3.6212 3.6212 3.7369 3.7369 4.6053 4.6053 4.6530 4.6530 4.7683 4.7683 4.8222 4.8222 5.1218 5.1218 5.3057 5.3057 6.0655 6.0655 6.2335 6.2335 7.4396 7.4396 7.4922 7.4922 8.3864 8.3864 8.8480 8.8480 k = 0.5000-0.0000 0.2655 ( 13622 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4643 -3.4643 -3.3895 -3.3895 -3.3563 -3.3563 -3.2695 -3.2695 2.2230 2.2230 2.3580 2.3580 3.6222 3.6222 3.7351 3.7351 4.5960 4.5960 4.6231 4.6231 4.7823 4.7823 4.8432 4.8432 5.1270 5.1270 5.3061 5.3061 6.0374 6.0374 6.2039 6.2039 7.4611 7.4611 7.5177 7.5177 8.3868 8.3868 8.8479 8.8479 k = 0.5000-0.0000 0.2534 ( 13624 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4671 -3.4671 -3.3877 -3.3877 -3.3703 -3.3703 -3.2548 -3.2548 2.2335 2.2335 2.3680 2.3680 3.6238 3.6238 3.7320 3.7320 4.5778 4.5778 4.5926 4.5926 4.7947 4.7947 4.8715 4.8715 5.1361 5.1361 5.3068 5.3068 5.9931 5.9931 6.1576 6.1576 7.4944 7.4944 7.5574 7.5574 8.3875 8.3875 8.8479 8.8479 k = 0.5000-0.0000 0.2414 ( 13626 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4708 -3.4708 -3.3900 -3.3900 -3.3804 -3.3804 -3.2391 -3.2391 2.2481 2.2481 2.3820 2.3820 3.6258 3.6258 3.7279 3.7279 4.5453 4.5453 4.5723 4.5723 4.8056 4.8056 4.9004 4.9004 5.1497 5.1497 5.3077 5.3077 5.9360 5.9360 6.0982 6.0982 7.5365 7.5365 7.6082 7.6082 8.3884 8.3884 8.8477 8.8477 k = 0.5000-0.0000 0.2293 ( 13632 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4751 -3.4751 -3.4037 -3.4037 -3.3790 -3.3790 -3.2232 -3.2232 2.2668 2.2668 2.3998 2.3998 3.6282 3.6282 3.7226 3.7226 4.5095 4.5095 4.5539 4.5539 4.8151 4.8151 4.9260 4.9260 5.1680 5.1680 5.3087 5.3087 5.8696 5.8696 6.0295 6.0295 7.5843 7.5843 7.6670 7.6670 8.3896 8.3896 8.8475 8.8475 k = 0.5000-0.0000 0.2172 ( 13614 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4798 -3.4798 -3.4190 -3.4190 -3.3755 -3.3755 -3.2074 -3.2074 2.2897 2.2897 2.4215 2.4215 3.6308 3.6308 3.7165 3.7165 4.4744 4.4744 4.5349 4.5349 4.8227 4.8227 4.9462 4.9462 5.1899 5.1899 5.3097 5.3097 5.7975 5.7975 5.9553 5.9553 7.6350 7.6350 7.7310 7.7310 8.3910 8.3910 8.8472 8.8472 k = 0.5000-0.0000 0.2052 ( 13628 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.4848 -3.4848 -3.4342 -3.4342 -3.3717 -3.3717 -3.1919 -3.1919 2.3165 2.3165 2.4468 2.4468 3.6332 3.6332 3.7096 3.7096 4.4407 4.4407 4.5154 4.5154 4.8280 4.8280 4.9604 4.9604 5.2125 5.2125 5.3110 5.3110 5.7236 5.7236 5.8793 5.8793 7.6862 7.6862 7.7983 7.7983 8.3927 8.3927 8.8466 8.8466 k = 0.5000-0.0000 0.1931 ( 13648 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.4900 -3.4900 -3.4490 -3.4490 -3.3678 -3.3678 -3.1767 -3.1767 2.3472 2.3472 2.4758 2.4758 3.6352 3.6352 3.7022 3.7022 4.4089 4.4089 4.4956 4.4956 4.8306 4.8306 4.9686 4.9686 5.2295 5.2295 5.3135 5.3135 5.6523 5.6523 5.8059 5.8059 7.7361 7.7361 7.8670 7.8670 8.3946 8.3946 8.8459 8.8459 k = 0.5000-0.0000 0.1810 ( 13648 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.4952 -3.4952 -3.4634 -3.4634 -3.3639 -3.3639 -3.1620 -3.1620 2.3817 2.3817 2.5082 2.5082 3.6362 3.6362 3.6947 3.6947 4.3791 4.3791 4.4757 4.4757 4.8300 4.8300 4.9707 4.9707 5.2321 5.2321 5.3178 5.3178 5.5897 5.5897 5.7402 5.7402 7.7833 7.7833 7.9361 7.9361 8.3967 8.3967 8.8449 8.8449 k = 0.5000-0.0000 0.1690 ( 13656 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5003 -3.5003 -3.4772 -3.4772 -3.3601 -3.3601 -3.1480 -3.1480 2.4199 2.4199 2.5438 2.5438 3.6358 3.6358 3.6874 3.6874 4.3512 4.3512 4.4557 4.4557 4.8261 4.8261 4.9662 4.9662 5.2154 5.2154 5.3173 5.3173 5.5437 5.5437 5.6886 5.6886 7.8269 7.8269 8.0045 8.0045 8.3991 8.3991 8.8436 8.8436 k = 0.5000-0.0000 0.1569 ( 13664 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5055 -3.5055 -3.4902 -3.4902 -3.3564 -3.3564 -3.1345 -3.1345 2.4617 2.4617 2.5824 2.5824 3.6332 3.6332 3.6809 3.6809 4.3252 4.3252 4.4356 4.4356 4.8185 4.8185 4.9537 4.9537 5.1814 5.1814 5.3017 5.3017 5.5206 5.5206 5.6570 5.6570 7.8662 7.8662 8.0716 8.0716 8.4016 8.4016 8.8419 8.8419 k = 0.5000-0.0000 0.1448 ( 13674 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5107 -3.5107 -3.5023 -3.5023 -3.3529 -3.3529 -3.1218 -3.1218 2.5068 2.5068 2.6237 2.6237 3.6280 3.6280 3.6751 3.6751 4.3009 4.3009 4.4154 4.4154 4.8069 4.8069 4.9314 4.9314 5.1351 5.1351 5.2718 5.2718 5.5161 5.5161 5.6480 5.6480 7.9008 7.9008 8.1368 8.1368 8.4043 8.4043 8.8397 8.8397 k = 0.5000-0.0000 0.1327 ( 13676 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5172 -3.5172 -3.5121 -3.5121 -3.3496 -3.3496 -3.1099 -3.1099 2.5551 2.5551 2.6674 2.6674 3.6204 3.6204 3.6699 3.6699 4.2780 4.2780 4.3949 4.3949 4.7907 4.7907 4.8979 4.8979 5.0829 5.0829 5.2385 5.2385 5.5200 5.5200 5.6582 5.6582 7.9307 7.9307 8.1997 8.1997 8.4072 8.4072 8.8371 8.8371 k = 0.5000-0.0000 0.1207 ( 13680 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5265 -3.5265 -3.5180 -3.5180 -3.3466 -3.3466 -3.0989 -3.0989 2.6063 2.6063 2.7132 2.7132 3.6106 3.6106 3.6646 3.6646 4.2561 4.2561 4.3742 4.3742 4.7690 4.7690 4.8538 4.8538 5.0307 5.0307 5.2101 5.2101 5.5272 5.5272 5.6808 5.6808 7.9561 7.9561 8.2597 8.2597 8.4102 8.4102 8.8339 8.8339 k = 0.5000-0.0000 0.1086 ( 13678 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5361 -3.5361 -3.5224 -3.5224 -3.3438 -3.3438 -3.0887 -3.0887 2.6600 2.6600 2.7605 2.7605 3.5984 3.5984 3.6587 3.6587 4.2345 4.2345 4.3535 4.3535 4.7404 4.7404 4.8029 4.8029 4.9832 4.9832 5.1891 5.1891 5.5361 5.5361 5.7096 5.7096 7.9771 7.9771 8.3163 8.3163 8.4136 8.4136 8.8301 8.8301 k = 0.5000-0.0000 0.0965 ( 13682 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.5449 -3.5449 -3.5263 -3.5263 -3.3412 -3.3412 -3.0795 -3.0795 2.7158 2.7158 2.8089 2.8089 3.5834 3.5834 3.6524 3.6524 4.2124 4.2124 4.3332 4.3332 4.7006 4.7006 4.7541 4.7541 4.9433 4.9433 5.1745 5.1745 5.5461 5.5461 5.7404 5.7404 7.9941 7.9941 8.3680 8.3680 8.4185 8.4185 8.8256 8.8256 k = 0.5000-0.0000 0.0845 ( 13672 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5529 -3.5529 -3.5297 -3.5297 -3.3390 -3.3390 -3.0712 -3.0712 2.7729 2.7729 2.8580 2.8580 3.5645 3.5645 3.6462 3.6462 4.1890 4.1890 4.3145 4.3145 4.6471 4.6471 4.7161 4.7161 4.9113 4.9113 5.1646 5.1646 5.5565 5.5565 5.7708 5.7708 8.0076 8.0076 8.4048 8.4048 8.4347 8.4347 8.8202 8.8202 k = 0.5000-0.0000 0.0724 ( 13676 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5599 -3.5599 -3.5327 -3.5327 -3.3370 -3.3370 -3.0640 -3.0640 2.8299 2.8299 2.9075 2.9075 3.5401 3.5401 3.6411 3.6411 4.1638 4.1638 4.2984 4.2984 4.5873 4.5873 4.6871 4.6871 4.8861 4.8861 5.1579 5.1579 5.5666 5.5666 5.7993 5.7993 8.0181 8.0181 8.4146 8.4146 8.4736 8.4736 8.8141 8.8141 k = 0.5000-0.0000 0.0603 ( 13676 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5659 -3.5659 -3.5353 -3.5353 -3.3353 -3.3353 -3.0579 -3.0579 2.8846 2.8846 2.9581 2.9581 3.5094 3.5094 3.6381 3.6381 4.1371 4.1371 4.2858 4.2858 4.5289 4.5289 4.6644 4.6644 4.8662 4.8662 5.1534 5.1534 5.5760 5.5760 5.8248 5.8248 8.0260 8.0260 8.4180 8.4180 8.5143 8.5143 8.8071 8.8071 k = 0.5000-0.0000 0.0483 ( 13670 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5708 -3.5708 -3.5374 -3.5374 -3.3340 -3.3340 -3.0528 -3.0528 2.9335 2.9335 3.0110 3.0110 3.4718 3.4718 3.6374 3.6374 4.1101 4.1101 4.2770 4.2770 4.4760 4.4760 4.6470 4.6470 4.8507 4.8507 5.1503 5.1503 5.5843 5.5843 5.8465 5.8465 8.0318 8.0318 8.4201 8.4201 8.5511 8.5511 8.7993 8.7993 k = 0.5000-0.0000 0.0362 ( 13666 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5747 -3.5747 -3.5391 -3.5391 -3.3329 -3.3329 -3.0488 -3.0488 2.9732 2.9732 3.0672 3.0672 3.4279 3.4279 3.6388 3.6388 4.0848 4.0848 4.2721 4.2721 4.4314 4.4314 4.6343 4.6343 4.8388 4.8388 5.1482 5.1482 5.5911 5.5911 5.8640 5.8640 8.0358 8.0358 8.4217 8.4217 8.5825 8.5825 8.7911 8.7911 k = 0.5000-0.0000 0.0241 ( 13666 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5774 -3.5774 -3.5403 -3.5403 -3.3321 -3.3321 -3.0460 -3.0460 3.0020 3.0020 3.1254 3.1254 3.3792 3.3792 3.6413 3.6413 4.0635 4.0635 4.2703 4.2703 4.3969 4.3969 4.6258 4.6258 4.8304 4.8304 5.1469 5.1469 5.5961 5.5961 5.8768 5.8768 8.0385 8.0385 8.4227 8.4227 8.6072 8.6072 8.7832 8.7832 k = 0.5000-0.0000 0.0121 ( 13664 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5791 -3.5791 -3.5410 -3.5410 -3.3317 -3.3317 -3.0442 -3.0442 3.0195 3.0195 3.1811 3.1811 3.3295 3.3295 3.6438 3.6438 4.0493 4.0493 4.2706 4.2706 4.3747 4.3747 4.6210 4.6210 4.8254 4.8254 5.1462 5.1462 5.5992 5.5992 5.8845 5.8845 8.0400 8.0400 8.4233 8.4233 8.6235 8.6235 8.7772 8.7772 k = 0.5000-0.0000-0.0000 ( 13656 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2931 -26.2931 -26.2417 -26.2417 -3.5797 -3.5797 -3.5413 -3.5413 -3.3315 -3.3315 -3.0437 -3.0437 3.0253 3.0253 3.2132 3.2132 3.2994 3.2994 3.6447 3.6447 4.0442 4.0442 4.2711 4.2711 4.3670 4.3670 4.6194 4.6194 4.8237 4.8237 5.1460 5.1460 5.6003 5.6003 5.8871 5.8871 8.0404 8.0404 8.4235 8.4235 8.6293 8.6293 8.7749 8.7749 k = 0.0000 0.0000 0.2896 ( 13688 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2820 -26.2820 -26.2411 -26.2411 -4.5014 -4.5014 -4.3695 -4.3695 -3.3948 -3.3948 -3.2880 -3.2880 2.8420 2.8420 3.0497 3.0497 3.7609 3.7609 4.2020 4.2020 4.6004 4.6004 4.7847 4.7847 4.9939 4.9939 5.4420 5.4420 6.2661 6.2661 6.4444 6.4444 6.8374 6.8374 6.9549 6.9549 7.5608 7.5608 7.8099 7.8099 8.4359 8.4359 8.5400 8.5400 k = 0.0122-0.0000 0.2896 ( 13688 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2821 -26.2821 -26.2411 -26.2411 -4.5003 -4.5003 -4.3686 -4.3686 -3.3944 -3.3944 -3.2879 -3.2879 2.8434 2.8434 3.0508 3.0508 3.7615 3.7615 4.2009 4.2009 4.5995 4.5995 4.7811 4.7811 4.9952 4.9952 5.4401 5.4401 6.2591 6.2591 6.4357 6.4357 6.8362 6.8362 6.9536 6.9536 7.5661 7.5661 7.8120 7.8120 8.4387 8.4387 8.5436 8.5436 k = 0.0244-0.0000 0.2896 ( 13682 PWs) bands (ev): -50.2330 -50.2330 -26.9182 -26.9182 -26.2821 -26.2821 -26.2412 -26.2412 -4.4969 -4.4969 -4.3658 -4.3658 -3.3932 -3.3932 -3.2875 -3.2875 2.8479 2.8479 3.0543 3.0543 3.7632 3.7632 4.1978 4.1978 4.5969 4.5969 4.7708 4.7708 4.9988 4.9988 5.4346 5.4346 6.2386 6.2386 6.4099 6.4099 6.8329 6.8329 6.9500 6.9500 7.5815 7.5815 7.8179 7.8179 8.4464 8.4464 8.5548 8.5548 k = 0.0366-0.0000 0.2896 ( 13696 PWs) bands (ev): -50.2330 -50.2330 -26.9183 -26.9183 -26.2822 -26.2822 -26.2412 -26.2412 -4.4914 -4.4914 -4.3610 -4.3610 -3.3911 -3.3911 -3.2869 -3.2869 2.8552 2.8552 3.0601 3.0601 3.7661 3.7661 4.1925 4.1925 4.5923 4.5923 4.7544 4.7544 5.0039 5.0039 5.4256 5.4256 6.2059 6.2059 6.3681 6.3681 6.8281 6.8281 6.9452 6.9452 7.6046 7.6046 7.8259 7.8259 8.4576 8.4576 8.5747 8.5747 k = 0.0488-0.0000 0.2896 ( 13696 PWs) bands (ev): -50.2330 -50.2330 -26.9183 -26.9183 -26.2823 -26.2823 -26.2412 -26.2412 -4.4836 -4.4836 -4.3545 -4.3545 -3.3883 -3.3883 -3.2860 -3.2860 2.8655 2.8655 3.0682 3.0682 3.7700 3.7700 4.1850 4.1850 4.5857 4.5857 4.7325 4.7325 5.0100 5.0100 5.4130 5.4130 6.1629 6.1629 6.3122 6.3122 6.8224 6.8224 6.9401 6.9401 7.6327 7.6327 7.8344 7.8344 8.4707 8.4707 8.6040 8.6040 k = 0.0610-0.0000 0.2896 ( 13688 PWs) bands (ev): -50.2330 -50.2330 -26.9184 -26.9184 -26.2824 -26.2824 -26.2412 -26.2412 -4.4737 -4.4737 -4.3460 -4.3460 -3.3848 -3.3848 -3.2849 -3.2849 2.8786 2.8786 3.0785 3.0785 3.7748 3.7748 4.1753 4.1753 4.5766 4.5766 4.7059 4.7059 5.0162 5.0162 5.3972 5.3972 6.1121 6.1121 6.2451 6.2451 6.8161 6.8161 6.9350 6.9350 7.6630 7.6630 7.8420 7.8420 8.4851 8.4851 8.6421 8.6421 k = 0.0732-0.0000 0.2896 ( 13698 PWs) bands (ev): -50.2330 -50.2330 -26.9185 -26.9185 -26.2826 -26.2826 -26.2412 -26.2412 -4.4616 -4.4616 -4.3357 -4.3357 -3.3804 -3.3804 -3.2835 -3.2835 2.8945 2.8945 3.0911 3.0911 3.7805 3.7805 4.1633 4.1633 4.5646 4.5646 4.6750 4.6750 5.0222 5.0222 5.3782 5.3782 6.0560 6.0560 6.1699 6.1699 6.8087 6.8087 6.9296 6.9296 7.6929 7.6929 7.8480 7.8480 8.5009 8.5009 8.6870 8.6870 k = 0.0854-0.0000 0.2896 ( 13702 PWs) bands (ev): -50.2329 -50.2329 -26.9186 -26.9186 -26.2827 -26.2827 -26.2413 -26.2413 -4.4474 -4.4474 -4.3237 -4.3237 -3.3754 -3.3754 -3.2820 -3.2820 2.9132 2.9132 3.1058 3.1058 3.7867 3.7867 4.1490 4.1490 4.5487 4.5487 4.6402 4.6402 5.0279 5.0279 5.3561 5.3561 5.9968 5.9968 6.0904 6.0904 6.7998 6.7998 6.9232 6.9232 7.7206 7.7206 7.8522 7.8522 8.5183 8.5183 8.7362 8.7362 k = 0.0976-0.0000 0.2896 ( 13706 PWs) bands (ev): -50.2329 -50.2329 -26.9187 -26.9187 -26.2829 -26.2829 -26.2413 -26.2413 -4.4311 -4.4311 -4.3098 -4.3098 -3.3697 -3.3697 -3.2803 -3.2803 2.9346 2.9346 3.1225 3.1225 3.7934 3.7934 4.1323 4.1323 4.5275 4.5275 4.6025 4.6025 5.0331 5.0331 5.3309 5.3309 5.9359 5.9359 6.0106 6.0106 6.7886 6.7886 6.9148 6.9148 7.7451 7.7451 7.8548 7.8548 8.5373 8.5373 8.7872 8.7872 k = 0.1098-0.0000 0.2896 ( 13702 PWs) bands (ev): -50.2329 -50.2329 -26.9188 -26.9188 -26.2832 -26.2832 -26.2414 -26.2414 -4.4127 -4.4127 -4.2943 -4.2943 -3.3633 -3.3633 -3.2784 -3.2784 2.9585 2.9585 3.1413 3.1413 3.8001 3.8001 4.1132 4.1132 4.4987 4.4987 4.5636 4.5636 5.0382 5.0382 5.3026 5.3026 5.8734 5.8734 5.9359 5.9359 6.7741 6.7741 6.9034 6.9034 7.7658 7.7658 7.8565 7.8565 8.5576 8.5576 8.8373 8.8373 k = 0.1220-0.0000 0.2896 ( 13690 PWs) bands (ev): -50.2328 -50.2328 -26.9190 -26.9190 -26.2834 -26.2834 -26.2414 -26.2414 -4.3924 -4.3924 -4.2770 -4.2770 -3.3563 -3.3563 -3.2764 -3.2764 2.9849 2.9849 3.1619 3.1619 3.8066 3.8066 4.0916 4.0916 4.4594 4.4594 4.5255 4.5255 5.0431 5.0431 5.2710 5.2710 5.8084 5.8084 5.8714 5.8714 6.7556 6.7556 6.8880 6.8880 7.7829 7.7829 7.8577 7.8577 8.5782 8.5782 8.8845 8.8845 k = 0.1341-0.0000 0.2896 ( 13700 PWs) bands (ev): -50.2328 -50.2328 -26.9192 -26.9192 -26.2837 -26.2837 -26.2414 -26.2414 -4.3701 -4.3701 -4.2581 -4.2581 -3.3488 -3.3488 -3.2742 -3.2742 3.0137 3.0137 3.1842 3.1842 3.8123 3.8123 4.0673 4.0673 4.4096 4.4096 4.4880 4.4880 5.0482 5.0482 5.2363 5.2363 5.7435 5.7435 5.8185 5.8185 6.7325 6.7325 6.8676 6.8676 7.7970 7.7970 7.8590 7.8590 8.5982 8.5982 8.9272 8.9272 k = 0.1463-0.0000 0.2896 ( 13706 PWs) bands (ev): -50.2328 -50.2328 -26.9193 -26.9193 -26.2840 -26.2840 -26.2415 -26.2415 -4.3459 -4.3459 -4.2377 -4.2377 -3.3408 -3.3408 -3.2720 -3.2720 3.0446 3.0446 3.2081 3.2081 3.8167 3.8167 4.0401 4.0401 4.3521 4.3521 4.4487 4.4487 5.0535 5.0535 5.1991 5.1991 5.6832 5.6832 5.7755 5.7755 6.7044 6.7044 6.8415 6.8415 7.8087 7.8087 7.8606 7.8606 8.6162 8.6162 8.9644 8.9644 k = 0.1585-0.0000 0.2896 ( 13700 PWs) bands (ev): -50.2327 -50.2327 -26.9195 -26.9195 -26.2843 -26.2843 -26.2415 -26.2415 -4.3200 -4.3200 -4.2157 -4.2157 -3.3324 -3.3324 -3.2697 -3.2697 3.0774 3.0774 3.2332 3.2332 3.8190 3.8190 4.0093 4.0093 4.2902 4.2902 4.4055 4.4055 5.0588 5.0588 5.1609 5.1609 5.6309 5.6309 5.7404 5.7404 6.6709 6.6709 6.8093 6.8093 7.8189 7.8189 7.8628 7.8628 8.6312 8.6312 8.9962 8.9962 k = 0.1707-0.0000 0.2896 ( 13702 PWs) bands (ev): -50.2327 -50.2327 -26.9197 -26.9197 -26.2847 -26.2847 -26.2416 -26.2416 -4.2923 -4.2923 -4.1922 -4.1922 -3.3236 -3.3236 -3.2674 -3.2674 3.1119 3.1119 3.2592 3.2592 3.8181 3.8181 3.9737 3.9737 4.2271 4.2271 4.3578 4.3578 5.0623 5.0623 5.1252 5.1252 5.5878 5.5878 5.7124 5.7124 6.6323 6.6323 6.7709 6.7709 7.8281 7.8281 7.8654 7.8654 8.6421 8.6421 9.0231 9.0231 k = 0.1829-0.0000 0.2896 ( 13710 PWs) bands (ev): -50.2327 -50.2327 -26.9199 -26.9199 -26.2850 -26.2850 -26.2416 -26.2416 -4.2629 -4.2629 -4.1674 -4.1674 -3.3145 -3.3145 -3.2651 -3.2651 3.1476 3.1476 3.2857 3.2857 3.8123 3.8123 3.9322 3.9322 4.1665 4.1665 4.3061 4.3061 5.0559 5.0559 5.1022 5.1022 5.5537 5.5537 5.6906 5.6906 6.5885 6.5885 6.7262 6.7262 7.8366 7.8366 7.8682 7.8682 8.6482 8.6482 9.0462 9.0462 k = 0.1951-0.0000 0.2896 ( 13714 PWs) bands (ev): -50.2326 -50.2326 -26.9201 -26.9201 -26.2854 -26.2854 -26.2416 -26.2416 -4.2320 -4.2320 -4.1413 -4.1413 -3.3053 -3.3053 -3.2629 -3.2629 3.1840 3.1840 3.3117 3.3117 3.7984 3.7984 3.8851 3.8851 4.1117 4.1117 4.2523 4.2523 5.0324 5.0324 5.1006 5.1006 5.5278 5.5278 5.6745 5.6745 6.5402 6.5402 6.6757 6.6757 7.8444 7.8444 7.8709 7.8709 8.6491 8.6491 9.0668 9.0668 k = 0.2073-0.0000 0.2896 ( 13692 PWs) bands (ev): -50.2326 -50.2326 -26.9203 -26.9203 -26.2858 -26.2858 -26.2417 -26.2417 -4.1996 -4.1996 -4.1140 -4.1140 -3.2959 -3.2959 -3.2608 -3.2608 3.2200 3.2200 3.3361 3.3361 3.7699 3.7699 3.8380 3.8380 4.0645 4.0645 4.1993 4.1993 5.0052 5.0052 5.1083 5.1083 5.5091 5.5091 5.6633 5.6633 6.4877 6.4877 6.6197 6.6197 7.8516 7.8516 7.8731 7.8731 8.6448 8.6448 9.0857 9.0857 k = 0.2195-0.0000 0.2896 ( 13682 PWs) bands (ev): -50.2325 -50.2325 -26.9206 -26.9206 -26.2862 -26.2862 -26.2417 -26.2417 -4.1658 -4.1658 -4.0856 -4.0856 -3.2866 -3.2866 -3.2588 -3.2588 3.2536 3.2536 3.3569 3.3569 3.7218 3.7218 3.7982 3.7982 4.0249 4.0249 4.1507 4.1507 4.9812 4.9812 5.1188 5.1188 5.4965 5.4965 5.6566 5.6566 6.4318 6.4318 6.5592 6.5592 7.8575 7.8575 7.8744 7.8744 8.6356 8.6356 9.1035 9.1035 k = 0.2317-0.0000 0.2896 ( 13686 PWs) bands (ev): -50.2325 -50.2325 -26.9208 -26.9208 -26.2866 -26.2866 -26.2417 -26.2417 -4.1308 -4.1308 -4.0562 -4.0562 -3.2773 -3.2773 -3.2570 -3.2570 3.2808 3.2808 3.3709 3.3709 3.6645 3.6645 3.7624 3.7624 3.9919 3.9919 4.1095 4.1095 4.9619 4.9619 5.1304 5.1304 5.4892 5.4892 5.6539 5.6539 6.3732 6.3732 6.4947 6.4947 7.8615 7.8615 7.8747 7.8747 8.6221 8.6221 9.1196 9.1196 k = 0.2439-0.0000 0.2896 ( 13692 PWs) bands (ev): -50.2324 -50.2324 -26.9210 -26.9210 -26.2870 -26.2870 -26.2418 -26.2418 -4.0946 -4.0946 -4.0259 -4.0259 -3.2683 -3.2683 -3.2553 -3.2553 3.2922 3.2922 3.3753 3.3753 3.6136 3.6136 3.7290 3.7290 3.9653 3.9653 4.0765 4.0765 4.9475 4.9475 5.1426 5.1426 5.4864 5.4864 5.6544 5.6544 6.3127 6.3127 6.4272 6.4272 7.8625 7.8625 7.8742 7.8742 8.6051 8.6051 9.1312 9.1312 k = 0.2561-0.0000 0.2896 ( 13686 PWs) bands (ev): -50.2324 -50.2324 -26.9212 -26.9212 -26.2875 -26.2875 -26.2418 -26.2418 -4.0575 -4.0575 -3.9948 -3.9948 -3.2600 -3.2600 -3.2535 -3.2535 3.2739 3.2739 3.3682 3.3682 3.5815 3.5815 3.7042 3.7042 3.9448 3.9448 4.0511 4.0511 4.9376 4.9376 5.1548 5.1548 5.4875 5.4875 5.6578 5.6578 6.2510 6.2510 6.3577 6.3577 7.8596 7.8596 7.8727 7.8727 8.5855 8.5855 9.1333 9.1333 k = 0.2683-0.0000 0.2896 ( 13690 PWs) bands (ev): -50.2323 -50.2323 -26.9215 -26.9215 -26.2879 -26.2879 -26.2418 -26.2418 -4.0195 -4.0195 -3.9630 -3.9630 -3.2550 -3.2550 -3.2492 -3.2492 3.2243 3.2243 3.3419 3.3419 3.5741 3.5741 3.6946 3.6946 3.9303 3.9303 4.0318 4.0318 4.9318 4.9318 5.1666 5.1666 5.4919 5.4919 5.6631 5.6631 6.1891 6.1891 6.2874 6.2874 7.8530 7.8530 7.8694 7.8694 8.5645 8.5645 9.1199 9.1199 k = 0.2805-0.0000 0.2896 ( 13688 PWs) bands (ev): -50.2323 -50.2323 -26.9217 -26.9217 -26.2883 -26.2883 -26.2418 -26.2418 -3.9807 -3.9807 -3.9307 -3.9307 -3.2537 -3.2537 -3.2420 -3.2420 3.1556 3.1556 3.2921 3.2921 3.5872 3.5872 3.6991 3.6991 3.9219 3.9219 4.0181 4.0181 4.9294 4.9294 5.1777 5.1777 5.4989 5.4989 5.6692 5.6692 6.1280 6.1280 6.2179 6.2179 7.8430 7.8430 7.8632 7.8632 8.5430 8.5430 9.0960 9.0960 k = 0.2927-0.0000 0.2896 ( 13690 PWs) bands (ev): -50.2322 -50.2322 -26.9219 -26.9219 -26.2887 -26.2887 -26.2418 -26.2418 -3.9414 -3.9414 -3.8980 -3.8980 -3.2534 -3.2534 -3.2349 -3.2349 3.0779 3.0779 3.2256 3.2256 3.6105 3.6105 3.7115 3.7115 3.9204 3.9204 4.0101 4.0101 4.9297 4.9297 5.1877 5.1877 5.5074 5.5074 5.6744 5.6744 6.0689 6.0689 6.1512 6.1512 7.8300 7.8300 7.8533 7.8533 8.5220 8.5220 9.0699 9.0699 k = 0.3049-0.0000 0.2896 ( 13682 PWs) bands (ev): -50.2322 -50.2322 -26.9221 -26.9221 -26.2892 -26.2892 -26.2418 -26.2418 -3.9017 -3.9017 -3.8650 -3.8650 -3.2538 -3.2538 -3.2284 -3.2284 2.9969 2.9969 3.1505 3.1505 3.6359 3.6359 3.7257 3.7257 3.9266 3.9266 4.0090 4.0090 4.9321 4.9321 5.1964 5.1964 5.5164 5.5164 5.6761 5.6761 6.0132 6.0132 6.0906 6.0906 7.8141 7.8141 7.8393 7.8393 8.5023 8.5023 9.0440 9.0440 k = 0.3171-0.0000 0.2896 ( 13666 PWs) bands (ev): -50.2322 -50.2322 -26.9224 -26.9224 -26.2896 -26.2896 -26.2418 -26.2418 -3.8618 -3.8618 -3.8318 -3.8318 -3.2548 -3.2548 -3.2229 -3.2229 2.9155 2.9155 3.0717 3.0717 3.6587 3.6587 3.7371 3.7371 3.9420 3.9420 4.0162 4.0162 4.9358 4.9358 5.2033 5.2033 5.5235 5.5235 5.6703 5.6703 5.9624 5.9624 6.0410 6.0410 7.7956 7.7956 7.8211 7.8211 8.4844 8.4844 9.0192 9.0192 k = 0.3293-0.0000 0.2896 ( 13666 PWs) bands (ev): -50.2321 -50.2321 -26.9226 -26.9226 -26.2900 -26.2900 -26.2418 -26.2418 -3.8219 -3.8219 -3.7987 -3.7987 -3.2564 -3.2564 -3.2183 -3.2183 2.8354 2.8354 2.9922 2.9922 3.6766 3.6766 3.7429 3.7429 3.9670 3.9670 4.0325 4.0325 4.9404 4.9404 5.2083 5.2083 5.5258 5.5258 5.6530 5.6530 5.9188 5.9188 6.0078 6.0078 7.7746 7.7746 7.7989 7.7989 8.4684 8.4684 8.9960 8.9960 k = 0.3415-0.0000 0.2896 ( 13660 PWs) bands (ev): -50.2321 -50.2321 -26.9228 -26.9228 -26.2903 -26.2903 -26.2418 -26.2418 -3.7822 -3.7822 -3.7656 -3.7656 -3.2586 -3.2586 -3.2148 -3.2148 2.7579 2.7579 2.9140 2.9140 3.6894 3.6894 3.7427 3.7427 4.0010 4.0010 4.0576 4.0576 4.9451 4.9451 5.2109 5.2109 5.5191 5.5191 5.6224 5.6224 5.8858 5.8858 5.9936 5.9936 7.7514 7.7514 7.7729 7.7729 8.4546 8.4546 8.9745 8.9745 k = 0.3537-0.0000 0.2896 ( 13658 PWs) bands (ev): -50.2320 -50.2320 -26.9230 -26.9230 -26.2907 -26.2907 -26.2418 -26.2418 -3.7433 -3.7433 -3.7324 -3.7324 -3.2616 -3.2616 -3.2126 -3.2126 2.6837 2.6837 2.8383 2.8383 3.6977 3.6977 3.7376 3.7376 4.0423 4.0423 4.0901 4.0901 4.9496 4.9496 5.2107 5.2107 5.4998 5.4998 5.5810 5.5810 5.8676 5.8676 5.9958 5.9958 7.7262 7.7262 7.7439 7.7439 8.4428 8.4428 8.9548 8.9548 k = 0.3659-0.0000 0.2896 ( 13668 PWs) bands (ev): -50.2320 -50.2320 -26.9231 -26.9231 -26.2911 -26.2911 -26.2418 -26.2418 -3.7065 -3.7065 -3.6982 -3.6982 -3.2654 -3.2654 -3.2118 -3.2118 2.6135 2.6135 2.7661 2.7661 3.7018 3.7018 3.7301 3.7301 4.0888 4.0888 4.1284 4.1284 4.9532 4.9532 5.2068 5.2068 5.4673 5.4673 5.5336 5.5336 5.8651 5.8651 6.0098 6.0098 7.6994 7.6994 7.7125 7.7125 8.4327 8.4327 8.9368 8.9368 k = 0.3780-0.0000 0.2896 ( 13662 PWs) bands (ev): -50.2320 -50.2320 -26.9233 -26.9233 -26.2914 -26.2914 -26.2417 -26.2417 -3.6731 -3.6731 -3.6619 -3.6619 -3.2700 -3.2700 -3.2125 -3.2125 2.5478 2.5478 2.6982 2.6982 3.7003 3.7003 3.7243 3.7243 4.1390 4.1390 4.1712 4.1712 4.9556 4.9556 5.1980 5.1980 5.4244 5.4244 5.4850 5.4850 5.8757 5.8757 6.0314 6.0314 7.6707 7.6707 7.6803 7.6803 8.4241 8.4241 8.9207 8.9207 k = 0.3902-0.0000 0.2896 ( 13666 PWs) bands (ev): -50.2319 -50.2319 -26.9235 -26.9235 -26.2917 -26.2917 -26.2417 -26.2417 -3.6421 -3.6421 -3.6251 -3.6251 -3.2755 -3.2755 -3.2148 -3.2148 2.4871 2.4871 2.6351 2.6351 3.6922 3.6922 3.7231 3.7231 4.1911 4.1911 4.2177 4.2177 4.9562 4.9562 5.1822 5.1822 5.3761 5.3761 5.4392 5.4392 5.8953 5.8953 6.0576 6.0576 7.6392 7.6392 7.6494 7.6494 8.4167 8.4167 8.9063 8.9063 k = 0.4024-0.0000 0.2896 ( 13644 PWs) bands (ev): -50.2319 -50.2319 -26.9236 -26.9236 -26.2919 -26.2919 -26.2417 -26.2417 -3.6126 -3.6126 -3.5889 -3.5889 -3.2818 -3.2818 -3.2187 -3.2187 2.4318 2.4318 2.5775 2.5775 3.6808 3.6808 3.7244 3.7244 4.2441 4.2441 4.2675 4.2675 4.9542 4.9542 5.1569 5.1569 5.3270 5.3270 5.3991 5.3991 5.9203 5.9203 6.0861 6.0861 7.6056 7.6056 7.6205 7.6205 8.4103 8.4103 8.8937 8.8937 k = 0.4146-0.0000 0.2896 ( 13644 PWs) bands (ev): -50.2319 -50.2319 -26.9237 -26.9237 -26.2922 -26.2922 -26.2417 -26.2417 -3.5845 -3.5845 -3.5540 -3.5540 -3.2890 -3.2890 -3.2244 -3.2244 2.3821 2.3821 2.5256 2.5256 3.6688 3.6688 3.7266 3.7266 4.2970 4.2970 4.3204 4.3204 4.9486 4.9486 5.1208 5.1208 5.2802 5.2802 5.3675 5.3675 5.9479 5.9479 6.1155 6.1155 7.5719 7.5719 7.5932 7.5932 8.4048 8.4048 8.8827 8.8827 k = 0.4268-0.0000 0.2896 ( 13632 PWs) bands (ev): -50.2319 -50.2319 -26.9239 -26.9239 -26.2924 -26.2924 -26.2417 -26.2417 -3.5581 -3.5581 -3.5206 -3.5206 -3.2970 -3.2970 -3.2318 -3.2318 2.3385 2.3385 2.4799 2.4799 3.6572 3.6572 3.7289 3.7289 4.3495 4.3495 4.3754 4.3754 4.9381 4.9381 5.0754 5.0754 5.2371 5.2371 5.3448 5.3448 5.9760 5.9760 6.1444 6.1444 7.5397 7.5397 7.5675 7.5675 8.4000 8.4000 8.8733 8.8733 k = 0.4390-0.0000 0.2896 ( 13622 PWs) bands (ev): -50.2318 -50.2318 -26.9240 -26.9240 -26.2926 -26.2926 -26.2417 -26.2417 -3.5335 -3.5335 -3.4892 -3.4892 -3.3057 -3.3057 -3.2408 -3.2408 2.3011 2.3011 2.4408 2.4408 3.6467 3.6467 3.7312 3.7312 4.4018 4.4018 4.4317 4.4317 4.9210 4.9210 5.0242 5.0242 5.1994 5.1994 5.3295 5.3295 6.0029 6.0029 6.1715 6.1715 7.5099 7.5099 7.5440 7.5440 8.3960 8.3960 8.8654 8.8654 k = 0.4512-0.0000 0.2896 ( 13624 PWs) bands (ev): -50.2318 -50.2318 -26.9240 -26.9240 -26.2928 -26.2928 -26.2417 -26.2417 -3.5111 -3.5111 -3.4601 -3.4601 -3.3147 -3.3147 -3.2513 -3.2513 2.2702 2.2702 2.4084 2.4084 3.6377 3.6377 3.7333 3.7333 4.4538 4.4538 4.4882 4.4882 4.8957 4.8957 4.9708 4.9708 5.1687 5.1687 5.3193 5.3193 6.0270 6.0270 6.1956 6.1956 7.4836 7.4836 7.5235 7.5235 8.3926 8.3926 8.8591 8.8591 k = 0.4634-0.0000 0.2896 ( 13618 PWs) bands (ev): -50.2318 -50.2318 -26.9241 -26.9241 -26.2929 -26.2929 -26.2417 -26.2417 -3.4917 -3.4917 -3.4341 -3.4341 -3.3236 -3.3236 -3.2627 -3.2627 2.2460 2.2460 2.3829 2.3829 3.6305 3.6305 3.7351 3.7351 4.5047 4.5047 4.5438 4.5438 4.8618 4.8618 4.9185 4.9185 5.1460 5.1460 5.3127 5.3127 6.0472 6.0472 6.2158 6.2158 7.4619 7.4619 7.5066 7.5066 8.3899 8.3899 8.8542 8.8542 k = 0.4756-0.0000 0.2896 ( 13616 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2417 -26.2417 -3.4760 -3.4760 -3.4124 -3.4124 -3.3315 -3.3315 -3.2740 -3.2740 2.2285 2.2285 2.3646 2.3646 3.6252 3.6252 3.7364 3.7364 4.5525 4.5525 4.5970 4.5970 4.8216 4.8216 4.8704 4.8704 5.1311 5.1311 5.3086 5.3086 6.0625 6.0625 6.2310 6.2310 7.4456 7.4456 7.4939 7.4939 8.3879 8.3879 8.8507 8.8507 k = 0.4878-0.0000 0.2896 ( 13620 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4655 -3.4655 -3.3971 -3.3971 -3.3371 -3.3371 -3.2832 -3.2832 2.2181 2.2181 2.3536 2.3536 3.6220 3.6220 3.7373 3.7373 4.5916 4.5916 4.6435 4.6435 4.7814 4.7814 4.8316 4.8316 5.1227 5.1227 5.3063 5.3063 6.0719 6.0719 6.2405 6.2405 7.4356 7.4356 7.4861 7.4861 8.3867 8.3867 8.8487 8.8487 k = 0.5000-0.0000 0.2896 ( 13628 PWs) bands (ev): -50.2318 -50.2318 -26.9242 -26.9242 -26.2930 -26.2930 -26.2416 -26.2416 -3.4618 -3.4618 -3.3914 -3.3914 -3.3391 -3.3391 -3.2869 -3.2869 2.2146 2.2146 2.3499 2.3499 3.6209 3.6209 3.7375 3.7375 4.6085 4.6085 4.6670 4.6670 4.7599 4.7599 4.8149 4.8149 5.1201 5.1201 5.3055 5.3055 6.0752 6.0752 6.2437 6.2437 7.4321 7.4321 7.4834 7.4834 8.3863 8.3863 8.8480 8.8480 Writing output data file ZrTiTe4.save init_run : 0.66s CPU 1.35s WALL ( 1 calls) electrons : 478.23s CPU 483.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.20s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 478.23s CPU 483.62s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.22s WALL ( 282 calls) cegterg : 457.44s CPU 461.30s WALL ( 781 calls) Called by sum_band: Called by *egterg: h_psi : 282.86s CPU 285.74s WALL ( 13745 calls) s_psi : 19.12s CPU 19.09s WALL ( 13745 calls) g_psi : 1.39s CPU 1.39s WALL ( 12682 calls) cdiaghg : 83.19s CPU 84.10s WALL ( 12964 calls) cegterg:over : 27.68s CPU 27.92s WALL ( 12682 calls) cegterg:upda : 29.98s CPU 29.89s WALL ( 12682 calls) cegterg:last : 16.15s CPU 16.28s WALL ( 2397 calls) cdiaghg:chol : 5.08s CPU 4.91s WALL ( 12964 calls) cdiaghg:inve : 3.14s CPU 3.09s WALL ( 12964 calls) cdiaghg:para : 4.81s CPU 4.87s WALL ( 25928 calls) Called by h_psi: h_psi:vloc : 236.90s CPU 239.87s WALL ( 13745 calls) h_psi:vnl : 44.63s CPU 44.48s WALL ( 13745 calls) add_vuspsi : 22.90s CPU 22.75s WALL ( 13745 calls) General routines calbec : 21.68s CPU 21.69s WALL ( 13745 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 224.83s CPU 227.80s WALL ( 1341068 calls) davcio : 0.28s CPU 0.55s WALL ( 564 calls) Parallel routines fft_scatter : 77.29s CPU 78.76s WALL ( 1341083 calls) PWSCF : 8m26.41s CPU 9m 5.99s WALL This run was terminated on: 21:28:26 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=