Program PWSCF v.5.1.1 starts on 17Jul2015 at 14:30:48 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./Bi2O3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 25 7 1864 815 131 Max 46 26 8 1866 834 138 Sum 1425 829 241 59671 26381 4315 bravais-lattice index = 14 lattice parameter (alat) = 7.4077 a.u. unit-cell volume = 606.6309 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.407726 celldm(2)= 1.000000 celldm(3)= 1.492347 celldm(4)= 0.000000 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.492347 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.670085 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Bi 5.00 208.98040 Bi( 1.00) 8 Sym. Ops. (no 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 [0,0,1] 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 = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 368 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0027174 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0027174 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0027174 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0027174 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0027174 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0027174 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0027174 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0027174 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0027174 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0027174 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0027174 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0027174 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0027174 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0027174 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0027174 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0027174 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0027174 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0027174 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0027174 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0027174 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0027174 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0027174 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0027174 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0027174 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0027174 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0027174 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0027174 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0027174 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0027174 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0027174 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0027174 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0027174 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0027174 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0027174 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0027174 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0027174 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0027174 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0027174 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0027174 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0027174 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0027174 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0027174 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0027174 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0027174 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0027174 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0027174 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0027174 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0027174 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0027174 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0027174 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0027174 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0027174 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0027174 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0027174 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0027174 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0027174 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0027174 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0027174 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0027174 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0027174 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0027174 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0027174 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0027174 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0027174 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0027174 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0027174 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0027174 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0027174 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0027174 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0027174 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0027174 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0027174 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0027174 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0027174 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0027174 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0027174 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0027174 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0027174 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0027174 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0027174 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 86) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0027174 k( 87) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0027174 k( 88) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0027174 k( 89) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0027174 k( 90) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0027174 k( 91) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0027174 k( 92) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0027174 k( 93) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0027174 k( 94) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0027174 k( 95) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0027174 k( 96) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0027174 k( 97) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0027174 k( 98) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0027174 k( 99) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0027174 k( 100) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0027174 k( 101) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0027174 k( 102) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0027174 k( 103) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0027174 k( 104) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027174 k( 105) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0027174 k( 106) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0027174 k( 107) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0027174 k( 108) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0027174 k( 109) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0027174 k( 110) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0027174 k( 111) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0027174 k( 112) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0027174 k( 113) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0027174 k( 114) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0027174 k( 115) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0027174 k( 116) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0027174 k( 117) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0027174 k( 118) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0027174 k( 119) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0027174 k( 120) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0027174 k( 121) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0027174 k( 122) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0027174 k( 123) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027174 k( 124) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0027174 k( 125) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0027174 k( 126) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0027174 k( 127) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0027174 k( 128) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0027174 k( 129) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0027174 k( 130) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0027174 k( 131) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0027174 k( 132) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0027174 k( 133) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0027174 k( 134) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0027174 k( 135) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0027174 k( 136) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0027174 k( 137) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0027174 k( 138) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0027174 k( 139) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0027174 k( 140) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0027174 k( 141) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0027174 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 144) = ( 0.0000000 0.0000000 0.0124090), wk = 0.0027174 k( 145) = ( 0.0000000 0.0000000 0.0248180), wk = 0.0027174 k( 146) = ( 0.0000000 0.0000000 0.0372270), wk = 0.0027174 k( 147) = ( 0.0000000 0.0000000 0.0496360), wk = 0.0027174 k( 148) = ( 0.0000000 0.0000000 0.0620449), wk = 0.0027174 k( 149) = ( 0.0000000 0.0000000 0.0744539), wk = 0.0027174 k( 150) = ( 0.0000000 0.0000000 0.0868629), wk = 0.0027174 k( 151) = ( 0.0000000 0.0000000 0.0992719), wk = 0.0027174 k( 152) = ( 0.0000000 0.0000000 0.1116809), wk = 0.0027174 k( 153) = ( 0.0000000 0.0000000 0.1240899), wk = 0.0027174 k( 154) = ( 0.0000000 0.0000000 0.1364989), wk = 0.0027174 k( 155) = ( 0.0000000 0.0000000 0.1489079), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.1613169), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.1737259), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.1861349), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.1985438), wk = 0.0027174 k( 160) = ( 0.0000000 0.0000000 0.2109528), wk = 0.0027174 k( 161) = ( 0.0000000 0.0000000 0.2233618), wk = 0.0027174 k( 162) = ( 0.0000000 0.0000000 0.2357708), wk = 0.0027174 k( 163) = ( 0.0000000 0.0000000 0.2481798), wk = 0.0027174 k( 164) = ( 0.0000000 0.0000000 0.2605888), wk = 0.0027174 k( 165) = ( 0.0000000 0.0000000 0.2729978), wk = 0.0027174 k( 166) = ( 0.0000000 0.0000000 0.2854068), wk = 0.0027174 k( 167) = ( 0.0000000 0.0000000 0.2978158), wk = 0.0027174 k( 168) = ( 0.0000000 0.0000000 0.3102248), wk = 0.0027174 k( 169) = ( 0.0000000 0.0000000 0.3226337), wk = 0.0027174 k( 170) = ( 0.0000000 0.0000000 0.3350427), wk = 0.0027174 k( 171) = ( 0.0000000 0.0000000 0.3350427), wk = 0.0027174 k( 172) = ( 0.0000000 0.0121951 0.3350427), wk = 0.0027174 k( 173) = ( 0.0000000 0.0243902 0.3350427), wk = 0.0027174 k( 174) = ( 0.0000000 0.0365854 0.3350427), wk = 0.0027174 k( 175) = ( 0.0000000 0.0487805 0.3350427), wk = 0.0027174 k( 176) = ( 0.0000000 0.0609756 0.3350427), wk = 0.0027174 k( 177) = ( 0.0000000 0.0731707 0.3350427), wk = 0.0027174 k( 178) = ( 0.0000000 0.0853658 0.3350427), wk = 0.0027174 k( 179) = ( 0.0000000 0.0975610 0.3350427), wk = 0.0027174 k( 180) = ( 0.0000000 0.1097561 0.3350427), wk = 0.0027174 k( 181) = ( 0.0000000 0.1219512 0.3350427), wk = 0.0027174 k( 182) = ( 0.0000000 0.1341463 0.3350427), wk = 0.0027174 k( 183) = ( 0.0000000 0.1463415 0.3350427), wk = 0.0027174 k( 184) = ( 0.0000000 0.1585366 0.3350427), wk = 0.0027174 k( 185) = ( 0.0000000 0.1707317 0.3350427), wk = 0.0027174 k( 186) = ( 0.0000000 0.1829268 0.3350427), wk = 0.0027174 k( 187) = ( 0.0000000 0.1951219 0.3350427), wk = 0.0027174 k( 188) = ( 0.0000000 0.2073171 0.3350427), wk = 0.0027174 k( 189) = ( 0.0000000 0.2195122 0.3350427), wk = 0.0027174 k( 190) = ( 0.0000000 0.2317073 0.3350427), wk = 0.0027174 k( 191) = ( 0.0000000 0.2439024 0.3350427), wk = 0.0027174 k( 192) = ( 0.0000000 0.2560976 0.3350427), wk = 0.0027174 k( 193) = ( 0.0000000 0.2682927 0.3350427), wk = 0.0027174 k( 194) = ( 0.0000000 0.2804878 0.3350427), wk = 0.0027174 k( 195) = ( 0.0000000 0.2926829 0.3350427), wk = 0.0027174 k( 196) = ( 0.0000000 0.3048781 0.3350427), wk = 0.0027174 k( 197) = ( 0.0000000 0.3170732 0.3350427), wk = 0.0027174 k( 198) = ( 0.0000000 0.3292683 0.3350427), wk = 0.0027174 k( 199) = ( 0.0000000 0.3414634 0.3350427), wk = 0.0027174 k( 200) = ( 0.0000000 0.3536585 0.3350427), wk = 0.0027174 k( 201) = ( 0.0000000 0.3658537 0.3350427), wk = 0.0027174 k( 202) = ( 0.0000000 0.3780488 0.3350427), wk = 0.0027174 k( 203) = ( 0.0000000 0.3902439 0.3350427), wk = 0.0027174 k( 204) = ( 0.0000000 0.4024390 0.3350427), wk = 0.0027174 k( 205) = ( 0.0000000 0.4146341 0.3350427), wk = 0.0027174 k( 206) = ( 0.0000000 0.4268293 0.3350427), wk = 0.0027174 k( 207) = ( 0.0000000 0.4390244 0.3350427), wk = 0.0027174 k( 208) = ( 0.0000000 0.4512195 0.3350427), wk = 0.0027174 k( 209) = ( 0.0000000 0.4634146 0.3350427), wk = 0.0027174 k( 210) = ( 0.0000000 0.4756098 0.3350427), wk = 0.0027174 k( 211) = ( 0.0000000 0.4878049 0.3350427), wk = 0.0027174 k( 212) = ( 0.0000000 0.5000000 0.3350427), wk = 0.0027174 k( 213) = ( 0.0000000 0.5000000 0.3350427), wk = 0.0027174 k( 214) = ( 0.0121951 0.5000000 0.3350427), wk = 0.0027174 k( 215) = ( 0.0243902 0.5000000 0.3350427), wk = 0.0027174 k( 216) = ( 0.0365854 0.5000000 0.3350427), wk = 0.0027174 k( 217) = ( 0.0487805 0.5000000 0.3350427), wk = 0.0027174 k( 218) = ( 0.0609756 0.5000000 0.3350427), wk = 0.0027174 k( 219) = ( 0.0731707 0.5000000 0.3350427), wk = 0.0027174 k( 220) = ( 0.0853658 0.5000000 0.3350427), wk = 0.0027174 k( 221) = ( 0.0975610 0.5000000 0.3350427), wk = 0.0027174 k( 222) = ( 0.1097561 0.5000000 0.3350427), wk = 0.0027174 k( 223) = ( 0.1219512 0.5000000 0.3350427), wk = 0.0027174 k( 224) = ( 0.1341463 0.5000000 0.3350427), wk = 0.0027174 k( 225) = ( 0.1463415 0.5000000 0.3350427), wk = 0.0027174 k( 226) = ( 0.1585366 0.5000000 0.3350427), wk = 0.0027174 k( 227) = ( 0.1707317 0.5000000 0.3350427), wk = 0.0027174 k( 228) = ( 0.1829268 0.5000000 0.3350427), wk = 0.0027174 k( 229) = ( 0.1951219 0.5000000 0.3350427), wk = 0.0027174 k( 230) = ( 0.2073171 0.5000000 0.3350427), wk = 0.0027174 k( 231) = ( 0.2195122 0.5000000 0.3350427), wk = 0.0027174 k( 232) = ( 0.2317073 0.5000000 0.3350427), wk = 0.0027174 k( 233) = ( 0.2439024 0.5000000 0.3350427), wk = 0.0027174 k( 234) = ( 0.2560976 0.5000000 0.3350427), wk = 0.0027174 k( 235) = ( 0.2682927 0.5000000 0.3350427), wk = 0.0027174 k( 236) = ( 0.2804878 0.5000000 0.3350427), wk = 0.0027174 k( 237) = ( 0.2926829 0.5000000 0.3350427), wk = 0.0027174 k( 238) = ( 0.3048781 0.5000000 0.3350427), wk = 0.0027174 k( 239) = ( 0.3170732 0.5000000 0.3350427), wk = 0.0027174 k( 240) = ( 0.3292683 0.5000000 0.3350427), wk = 0.0027174 k( 241) = ( 0.3414634 0.5000000 0.3350427), wk = 0.0027174 k( 242) = ( 0.3536585 0.5000000 0.3350427), wk = 0.0027174 k( 243) = ( 0.3658537 0.5000000 0.3350427), wk = 0.0027174 k( 244) = ( 0.3780488 0.5000000 0.3350427), wk = 0.0027174 k( 245) = ( 0.3902439 0.5000000 0.3350427), wk = 0.0027174 k( 246) = ( 0.4024390 0.5000000 0.3350427), wk = 0.0027174 k( 247) = ( 0.4146341 0.5000000 0.3350427), wk = 0.0027174 k( 248) = ( 0.4268293 0.5000000 0.3350427), wk = 0.0027174 k( 249) = ( 0.4390244 0.5000000 0.3350427), wk = 0.0027174 k( 250) = ( 0.4512195 0.5000000 0.3350427), wk = 0.0027174 k( 251) = ( 0.4634146 0.5000000 0.3350427), wk = 0.0027174 k( 252) = ( 0.4756098 0.5000000 0.3350427), wk = 0.0027174 k( 253) = ( 0.4878049 0.5000000 0.3350427), wk = 0.0027174 k( 254) = ( 0.5000000 0.5000000 0.3350427), wk = 0.0027174 k( 255) = ( 0.5000000 0.5000000 0.3350427), wk = 0.0027174 k( 256) = ( 0.4912281 0.4912281 0.3350427), wk = 0.0027174 k( 257) = ( 0.4824561 0.4824561 0.3350427), wk = 0.0027174 k( 258) = ( 0.4736842 0.4736842 0.3350427), wk = 0.0027174 k( 259) = ( 0.4649123 0.4649123 0.3350427), wk = 0.0027174 k( 260) = ( 0.4561404 0.4561403 0.3350427), wk = 0.0027174 k( 261) = ( 0.4473684 0.4473684 0.3350427), wk = 0.0027174 k( 262) = ( 0.4385965 0.4385965 0.3350427), wk = 0.0027174 k( 263) = ( 0.4298246 0.4298246 0.3350427), wk = 0.0027174 k( 264) = ( 0.4210526 0.4210526 0.3350427), wk = 0.0027174 k( 265) = ( 0.4122807 0.4122807 0.3350427), wk = 0.0027174 k( 266) = ( 0.4035088 0.4035088 0.3350427), wk = 0.0027174 k( 267) = ( 0.3947368 0.3947368 0.3350427), wk = 0.0027174 k( 268) = ( 0.3859649 0.3859649 0.3350427), wk = 0.0027174 k( 269) = ( 0.3771930 0.3771930 0.3350427), wk = 0.0027174 k( 270) = ( 0.3684211 0.3684210 0.3350427), wk = 0.0027174 k( 271) = ( 0.3596491 0.3596491 0.3350427), wk = 0.0027174 k( 272) = ( 0.3508772 0.3508772 0.3350427), wk = 0.0027174 k( 273) = ( 0.3421053 0.3421053 0.3350427), wk = 0.0027174 k( 274) = ( 0.3333333 0.3333333 0.3350427), wk = 0.0027174 k( 275) = ( 0.3245614 0.3245614 0.3350427), wk = 0.0027174 k( 276) = ( 0.3157895 0.3157895 0.3350427), wk = 0.0027174 k( 277) = ( 0.3070175 0.3070175 0.3350427), wk = 0.0027174 k( 278) = ( 0.2982456 0.2982456 0.3350427), wk = 0.0027174 k( 279) = ( 0.2894737 0.2894737 0.3350427), wk = 0.0027174 k( 280) = ( 0.2807018 0.2807017 0.3350427), wk = 0.0027174 k( 281) = ( 0.2719298 0.2719298 0.3350427), wk = 0.0027174 k( 282) = ( 0.2631579 0.2631579 0.3350427), wk = 0.0027174 k( 283) = ( 0.2543860 0.2543860 0.3350427), wk = 0.0027174 k( 284) = ( 0.2456140 0.2456140 0.3350427), wk = 0.0027174 k( 285) = ( 0.2368421 0.2368421 0.3350427), wk = 0.0027174 k( 286) = ( 0.2280702 0.2280702 0.3350427), wk = 0.0027174 k( 287) = ( 0.2192983 0.2192982 0.3350427), wk = 0.0027174 k( 288) = ( 0.2105263 0.2105263 0.3350427), wk = 0.0027174 k( 289) = ( 0.2017544 0.2017544 0.3350427), wk = 0.0027174 k( 290) = ( 0.1929825 0.1929825 0.3350427), wk = 0.0027174 k( 291) = ( 0.1842105 0.1842105 0.3350427), wk = 0.0027174 k( 292) = ( 0.1754386 0.1754386 0.3350427), wk = 0.0027174 k( 293) = ( 0.1666667 0.1666667 0.3350427), wk = 0.0027174 k( 294) = ( 0.1578947 0.1578947 0.3350427), wk = 0.0027174 k( 295) = ( 0.1491228 0.1491228 0.3350427), wk = 0.0027174 k( 296) = ( 0.1403509 0.1403509 0.3350427), wk = 0.0027174 k( 297) = ( 0.1315790 0.1315790 0.3350427), wk = 0.0027174 k( 298) = ( 0.1228070 0.1228070 0.3350427), wk = 0.0027174 k( 299) = ( 0.1140351 0.1140351 0.3350427), wk = 0.0027174 k( 300) = ( 0.1052632 0.1052632 0.3350427), wk = 0.0027174 k( 301) = ( 0.0964912 0.0964912 0.3350427), wk = 0.0027174 k( 302) = ( 0.0877193 0.0877193 0.3350427), wk = 0.0027174 k( 303) = ( 0.0789474 0.0789474 0.3350427), wk = 0.0027174 k( 304) = ( 0.0701754 0.0701754 0.3350427), wk = 0.0027174 k( 305) = ( 0.0614035 0.0614035 0.3350427), wk = 0.0027174 k( 306) = ( 0.0526316 0.0526316 0.3350427), wk = 0.0027174 k( 307) = ( 0.0438597 0.0438596 0.3350427), wk = 0.0027174 k( 308) = ( 0.0350877 0.0350877 0.3350427), wk = 0.0027174 k( 309) = ( 0.0263158 0.0263158 0.3350427), wk = 0.0027174 k( 310) = ( 0.0175439 0.0175439 0.3350427), wk = 0.0027174 k( 311) = ( 0.0087719 0.0087719 0.3350427), wk = 0.0027174 k( 312) = ( 0.0000000 0.0000000 0.3350427), wk = 0.0027174 k( 313) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 314) = ( 0.0000000 0.5000000 0.0124090), wk = 0.0027174 k( 315) = ( 0.0000000 0.5000000 0.0248180), wk = 0.0027174 k( 316) = ( 0.0000000 0.5000000 0.0372270), wk = 0.0027174 k( 317) = ( 0.0000000 0.5000000 0.0496360), wk = 0.0027174 k( 318) = ( 0.0000000 0.5000000 0.0620449), wk = 0.0027174 k( 319) = ( 0.0000000 0.5000000 0.0744539), wk = 0.0027174 k( 320) = ( 0.0000000 0.5000000 0.0868629), wk = 0.0027174 k( 321) = ( 0.0000000 0.5000000 0.0992719), wk = 0.0027174 k( 322) = ( 0.0000000 0.5000000 0.1116809), wk = 0.0027174 k( 323) = ( 0.0000000 0.5000000 0.1240899), wk = 0.0027174 k( 324) = ( 0.0000000 0.5000000 0.1364989), wk = 0.0027174 k( 325) = ( 0.0000000 0.5000000 0.1489079), wk = 0.0027174 k( 326) = ( 0.0000000 0.5000000 0.1613169), wk = 0.0027174 k( 327) = ( 0.0000000 0.5000000 0.1737259), wk = 0.0027174 k( 328) = ( 0.0000000 0.5000000 0.1861349), wk = 0.0027174 k( 329) = ( 0.0000000 0.5000000 0.1985438), wk = 0.0027174 k( 330) = ( 0.0000000 0.5000000 0.2109528), wk = 0.0027174 k( 331) = ( 0.0000000 0.5000000 0.2233618), wk = 0.0027174 k( 332) = ( 0.0000000 0.5000000 0.2357708), wk = 0.0027174 k( 333) = ( 0.0000000 0.5000000 0.2481798), wk = 0.0027174 k( 334) = ( 0.0000000 0.5000000 0.2605888), wk = 0.0027174 k( 335) = ( 0.0000000 0.5000000 0.2729978), wk = 0.0027174 k( 336) = ( 0.0000000 0.5000000 0.2854068), wk = 0.0027174 k( 337) = ( 0.0000000 0.5000000 0.2978158), wk = 0.0027174 k( 338) = ( 0.0000000 0.5000000 0.3102248), wk = 0.0027174 k( 339) = ( 0.0000000 0.5000000 0.3226337), wk = 0.0027174 k( 340) = ( 0.0000000 0.5000000 0.3350427), wk = 0.0027174 k( 341) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 342) = ( 0.5000000 0.5000000 0.0124090), wk = 0.0027174 k( 343) = ( 0.5000000 0.5000000 0.0248180), wk = 0.0027174 k( 344) = ( 0.5000000 0.5000000 0.0372270), wk = 0.0027174 k( 345) = ( 0.5000000 0.5000000 0.0496360), wk = 0.0027174 k( 346) = ( 0.5000000 0.5000000 0.0620449), wk = 0.0027174 k( 347) = ( 0.5000000 0.5000000 0.0744539), wk = 0.0027174 k( 348) = ( 0.5000000 0.5000000 0.0868629), wk = 0.0027174 k( 349) = ( 0.5000000 0.5000000 0.0992719), wk = 0.0027174 k( 350) = ( 0.5000000 0.5000000 0.1116809), wk = 0.0027174 k( 351) = ( 0.5000000 0.5000000 0.1240899), wk = 0.0027174 k( 352) = ( 0.5000000 0.5000000 0.1364989), wk = 0.0027174 k( 353) = ( 0.5000000 0.5000000 0.1489079), wk = 0.0027174 k( 354) = ( 0.5000000 0.5000000 0.1613169), wk = 0.0027174 k( 355) = ( 0.5000000 0.5000000 0.1737259), wk = 0.0027174 k( 356) = ( 0.5000000 0.5000000 0.1861349), wk = 0.0027174 k( 357) = ( 0.5000000 0.5000000 0.1985438), wk = 0.0027174 k( 358) = ( 0.5000000 0.5000000 0.2109528), wk = 0.0027174 k( 359) = ( 0.5000000 0.5000000 0.2233618), wk = 0.0027174 k( 360) = ( 0.5000000 0.5000000 0.2357708), wk = 0.0027174 k( 361) = ( 0.5000000 0.5000000 0.2481798), wk = 0.0027174 k( 362) = ( 0.5000000 0.5000000 0.2605888), wk = 0.0027174 k( 363) = ( 0.5000000 0.5000000 0.2729978), wk = 0.0027174 k( 364) = ( 0.5000000 0.5000000 0.2854068), wk = 0.0027174 k( 365) = ( 0.5000000 0.5000000 0.2978158), wk = 0.0027174 k( 366) = ( 0.5000000 0.5000000 0.3102248), wk = 0.0027174 k( 367) = ( 0.5000000 0.5000000 0.3226337), wk = 0.0027174 k( 368) = ( 0.5000000 0.5000000 0.3350427), wk = 0.0027174 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0027174 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0027174 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0027174 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0027174 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0027174 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0027174 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0027174 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0027174 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0027174 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0027174 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0027174 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0027174 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0027174 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0027174 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0027174 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0027174 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0027174 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0027174 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0027174 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0027174 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0027174 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0027174 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0027174 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0027174 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0027174 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0027174 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0027174 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0027174 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0027174 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0027174 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0027174 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0027174 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0027174 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0027174 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0027174 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0027174 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0027174 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0027174 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0027174 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0027174 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027174 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027174 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0027174 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0027174 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0027174 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0027174 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0027174 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0027174 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0027174 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0027174 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0027174 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0027174 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0027174 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0027174 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0027174 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0027174 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0027174 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0027174 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0027174 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0027174 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0027174 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0027174 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0027174 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0027174 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0027174 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0027174 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0027174 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0027174 k( 70) = ( 0.3292683 0.5000000 0.0000000), wk = 0.0027174 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0027174 k( 72) = ( 0.3536585 0.5000000 0.0000000), wk = 0.0027174 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0027174 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0027174 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0027174 k( 76) = ( 0.4024390 0.5000000 0.0000000), wk = 0.0027174 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0027174 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0027174 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0027174 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0027174 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0027174 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0027174 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0027174 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 86) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0027174 k( 87) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0027174 k( 88) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0027174 k( 89) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0027174 k( 90) = ( 0.4561404 0.4561404 -0.0000000), wk = 0.0027174 k( 91) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0027174 k( 92) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0027174 k( 93) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0027174 k( 94) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0027174 k( 95) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0027174 k( 96) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0027174 k( 97) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0027174 k( 98) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0027174 k( 99) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0027174 k( 100) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0027174 k( 101) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0027174 k( 102) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0027174 k( 103) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0027174 k( 104) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027174 k( 105) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0027174 k( 106) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0027174 k( 107) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0027174 k( 108) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0027174 k( 109) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0027174 k( 110) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0027174 k( 111) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0027174 k( 112) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0027174 k( 113) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0027174 k( 114) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0027174 k( 115) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0027174 k( 116) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0027174 k( 117) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0027174 k( 118) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0027174 k( 119) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0027174 k( 120) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0027174 k( 121) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0027174 k( 122) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0027174 k( 123) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027174 k( 124) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0027174 k( 125) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0027174 k( 126) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0027174 k( 127) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0027174 k( 128) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0027174 k( 129) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0027174 k( 130) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0027174 k( 131) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0027174 k( 132) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0027174 k( 133) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0027174 k( 134) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0027174 k( 135) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0027174 k( 136) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0027174 k( 137) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0027174 k( 138) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0027174 k( 139) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0027174 k( 140) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0027174 k( 141) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0027174 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 144) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0027174 k( 145) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0027174 k( 146) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027174 k( 147) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0027174 k( 148) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0027174 k( 149) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027174 k( 150) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0027174 k( 151) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0027174 k( 152) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027174 k( 153) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0027174 k( 154) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0027174 k( 155) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0027174 k( 160) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0027174 k( 161) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027174 k( 162) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0027174 k( 163) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0027174 k( 164) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027174 k( 165) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0027174 k( 166) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0027174 k( 167) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027174 k( 168) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0027174 k( 169) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0027174 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 172) = ( 0.0000000 0.0121951 0.5000000), wk = 0.0027174 k( 173) = ( 0.0000000 0.0243902 0.5000000), wk = 0.0027174 k( 174) = ( 0.0000000 0.0365854 0.5000000), wk = 0.0027174 k( 175) = ( 0.0000000 0.0487805 0.5000000), wk = 0.0027174 k( 176) = ( 0.0000000 0.0609756 0.5000000), wk = 0.0027174 k( 177) = ( 0.0000000 0.0731707 0.5000000), wk = 0.0027174 k( 178) = ( 0.0000000 0.0853658 0.5000000), wk = 0.0027174 k( 179) = ( 0.0000000 0.0975610 0.5000000), wk = 0.0027174 k( 180) = ( 0.0000000 0.1097561 0.5000000), wk = 0.0027174 k( 181) = ( 0.0000000 0.1219512 0.5000000), wk = 0.0027174 k( 182) = ( 0.0000000 0.1341463 0.5000000), wk = 0.0027174 k( 183) = ( 0.0000000 0.1463415 0.5000000), wk = 0.0027174 k( 184) = ( 0.0000000 0.1585366 0.5000000), wk = 0.0027174 k( 185) = ( 0.0000000 0.1707317 0.5000000), wk = 0.0027174 k( 186) = ( 0.0000000 0.1829268 0.5000000), wk = 0.0027174 k( 187) = ( 0.0000000 0.1951219 0.5000000), wk = 0.0027174 k( 188) = ( 0.0000000 0.2073171 0.5000000), wk = 0.0027174 k( 189) = ( 0.0000000 0.2195122 0.5000000), wk = 0.0027174 k( 190) = ( 0.0000000 0.2317073 0.5000000), wk = 0.0027174 k( 191) = ( 0.0000000 0.2439024 0.5000000), wk = 0.0027174 k( 192) = ( 0.0000000 0.2560976 0.5000000), wk = 0.0027174 k( 193) = ( 0.0000000 0.2682927 0.5000000), wk = 0.0027174 k( 194) = ( 0.0000000 0.2804878 0.5000000), wk = 0.0027174 k( 195) = ( 0.0000000 0.2926829 0.5000000), wk = 0.0027174 k( 196) = ( 0.0000000 0.3048781 0.5000000), wk = 0.0027174 k( 197) = ( 0.0000000 0.3170732 0.5000000), wk = 0.0027174 k( 198) = ( 0.0000000 0.3292683 0.5000000), wk = 0.0027174 k( 199) = ( 0.0000000 0.3414634 0.5000000), wk = 0.0027174 k( 200) = ( 0.0000000 0.3536585 0.5000000), wk = 0.0027174 k( 201) = ( 0.0000000 0.3658537 0.5000000), wk = 0.0027174 k( 202) = ( 0.0000000 0.3780488 0.5000000), wk = 0.0027174 k( 203) = ( 0.0000000 0.3902439 0.5000000), wk = 0.0027174 k( 204) = ( 0.0000000 0.4024390 0.5000000), wk = 0.0027174 k( 205) = ( 0.0000000 0.4146341 0.5000000), wk = 0.0027174 k( 206) = ( 0.0000000 0.4268293 0.5000000), wk = 0.0027174 k( 207) = ( 0.0000000 0.4390244 0.5000000), wk = 0.0027174 k( 208) = ( 0.0000000 0.4512195 0.5000000), wk = 0.0027174 k( 209) = ( 0.0000000 0.4634146 0.5000000), wk = 0.0027174 k( 210) = ( 0.0000000 0.4756098 0.5000000), wk = 0.0027174 k( 211) = ( 0.0000000 0.4878049 0.5000000), wk = 0.0027174 k( 212) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 213) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 214) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0027174 k( 215) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0027174 k( 216) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0027174 k( 217) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0027174 k( 218) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0027174 k( 219) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0027174 k( 220) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0027174 k( 221) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0027174 k( 222) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0027174 k( 223) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0027174 k( 224) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0027174 k( 225) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0027174 k( 226) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0027174 k( 227) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0027174 k( 228) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0027174 k( 229) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0027174 k( 230) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0027174 k( 231) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0027174 k( 232) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0027174 k( 233) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0027174 k( 234) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0027174 k( 235) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0027174 k( 236) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0027174 k( 237) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0027174 k( 238) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0027174 k( 239) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0027174 k( 240) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0027174 k( 241) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0027174 k( 242) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0027174 k( 243) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0027174 k( 244) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0027174 k( 245) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0027174 k( 246) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0027174 k( 247) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0027174 k( 248) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0027174 k( 249) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0027174 k( 250) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0027174 k( 251) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0027174 k( 252) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0027174 k( 253) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0027174 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027174 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027174 k( 256) = ( 0.4912281 0.4912281 0.5000000), wk = 0.0027174 k( 257) = ( 0.4824561 0.4824561 0.5000000), wk = 0.0027174 k( 258) = ( 0.4736842 0.4736842 0.5000000), wk = 0.0027174 k( 259) = ( 0.4649123 0.4649123 0.5000000), wk = 0.0027174 k( 260) = ( 0.4561404 0.4561404 0.5000000), wk = 0.0027174 k( 261) = ( 0.4473684 0.4473684 0.5000000), wk = 0.0027174 k( 262) = ( 0.4385965 0.4385965 0.5000000), wk = 0.0027174 k( 263) = ( 0.4298246 0.4298246 0.5000000), wk = 0.0027174 k( 264) = ( 0.4210526 0.4210526 0.5000000), wk = 0.0027174 k( 265) = ( 0.4122807 0.4122807 0.5000000), wk = 0.0027174 k( 266) = ( 0.4035088 0.4035088 0.5000000), wk = 0.0027174 k( 267) = ( 0.3947368 0.3947368 0.5000000), wk = 0.0027174 k( 268) = ( 0.3859649 0.3859649 0.5000000), wk = 0.0027174 k( 269) = ( 0.3771930 0.3771930 0.5000000), wk = 0.0027174 k( 270) = ( 0.3684211 0.3684211 0.5000000), wk = 0.0027174 k( 271) = ( 0.3596491 0.3596491 0.5000000), wk = 0.0027174 k( 272) = ( 0.3508772 0.3508772 0.5000000), wk = 0.0027174 k( 273) = ( 0.3421053 0.3421053 0.5000000), wk = 0.0027174 k( 274) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027174 k( 275) = ( 0.3245614 0.3245614 0.5000000), wk = 0.0027174 k( 276) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0027174 k( 277) = ( 0.3070175 0.3070175 0.5000000), wk = 0.0027174 k( 278) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0027174 k( 279) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0027174 k( 280) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0027174 k( 281) = ( 0.2719298 0.2719298 0.5000000), wk = 0.0027174 k( 282) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0027174 k( 283) = ( 0.2543860 0.2543860 0.5000000), wk = 0.0027174 k( 284) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0027174 k( 285) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0027174 k( 286) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0027174 k( 287) = ( 0.2192983 0.2192983 0.5000000), wk = 0.0027174 k( 288) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0027174 k( 289) = ( 0.2017544 0.2017544 0.5000000), wk = 0.0027174 k( 290) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0027174 k( 291) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0027174 k( 292) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0027174 k( 293) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027174 k( 294) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0027174 k( 295) = ( 0.1491228 0.1491228 0.5000000), wk = 0.0027174 k( 296) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0027174 k( 297) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0027174 k( 298) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0027174 k( 299) = ( 0.1140351 0.1140351 0.5000000), wk = 0.0027174 k( 300) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0027174 k( 301) = ( 0.0964912 0.0964912 0.5000000), wk = 0.0027174 k( 302) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0027174 k( 303) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0027174 k( 304) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0027174 k( 305) = ( 0.0614035 0.0614035 0.5000000), wk = 0.0027174 k( 306) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0027174 k( 307) = ( 0.0438597 0.0438597 0.5000000), wk = 0.0027174 k( 308) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0027174 k( 309) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0027174 k( 310) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0027174 k( 311) = ( 0.0087719 0.0087719 0.5000000), wk = 0.0027174 k( 312) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 313) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027174 k( 314) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0027174 k( 315) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0027174 k( 316) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0027174 k( 317) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0027174 k( 318) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0027174 k( 319) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0027174 k( 320) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0027174 k( 321) = ( 0.0000000 0.5000000 0.1481482), wk = 0.0027174 k( 322) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027174 k( 323) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0027174 k( 324) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0027174 k( 325) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0027174 k( 326) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0027174 k( 327) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0027174 k( 328) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0027174 k( 329) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0027174 k( 330) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0027174 k( 331) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027174 k( 332) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0027174 k( 333) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0027174 k( 334) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0027174 k( 335) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0027174 k( 336) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0027174 k( 337) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0027174 k( 338) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0027174 k( 339) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0027174 k( 340) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 341) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 342) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0027174 k( 343) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0027174 k( 344) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0027174 k( 345) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0027174 k( 346) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0027174 k( 347) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0027174 k( 348) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0027174 k( 349) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0027174 k( 350) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0027174 k( 351) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0027174 k( 352) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0027174 k( 353) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0027174 k( 354) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0027174 k( 355) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0027174 k( 356) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0027174 k( 357) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0027174 k( 358) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0027174 k( 359) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0027174 k( 360) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0027174 k( 361) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0027174 k( 362) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0027174 k( 363) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0027174 k( 364) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0027174 k( 365) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0027174 k( 366) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0027174 k( 367) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0027174 k( 368) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027174 Dense grid: 59671 G-vectors FFT dimensions: ( 45, 45, 64) Smooth grid: 26381 G-vectors FFT dimensions: ( 36, 36, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 218, 36) NL pseudopotentials 0.12 Mb ( 109, 74) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1865) G-vector shells 0.01 Mb ( 885) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 218, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.08 Mb ( 74, 2, 36) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Bi2O3.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.8 secs Computing kpt #: 10 total cpu time spent up to now is 10.6 secs Computing kpt #: 11 total cpu time spent up to now is 11.2 secs Computing kpt #: 12 total cpu time spent up to now is 11.7 secs Computing kpt #: 13 total cpu time spent up to now is 12.3 secs Computing kpt #: 14 total cpu time spent up to now is 12.9 secs Computing kpt #: 15 total cpu time spent up to now is 13.5 secs Computing kpt #: 16 total cpu time spent up to now is 14.0 secs Computing kpt #: 17 total cpu time spent up to now is 14.7 secs Computing kpt #: 18 total cpu time spent up to now is 15.3 secs Computing kpt #: 19 total cpu time spent up to now is 15.9 secs Computing kpt #: 20 total cpu time spent up to now is 16.5 secs Computing kpt #: 21 total cpu time spent up to now is 17.1 secs Computing kpt #: 22 total cpu time spent up to now is 17.7 secs Computing kpt #: 23 total cpu time spent up to now is 18.3 secs Computing kpt #: 24 total cpu time spent up to now is 19.0 secs Computing kpt #: 25 total cpu time spent up to now is 19.6 secs Computing kpt #: 26 total cpu time spent up to now is 20.2 secs Computing kpt #: 27 total cpu time spent up to now is 20.8 secs Computing kpt #: 28 total cpu time spent up to now is 21.5 secs Computing kpt #: 29 total cpu time spent up to now is 22.1 secs Computing kpt #: 30 total cpu time spent up to now is 22.6 secs Computing kpt #: 31 total cpu time spent up to now is 23.3 secs Computing kpt #: 32 total cpu time spent up to now is 23.9 secs Computing kpt #: 33 total cpu time spent up to now is 24.5 secs Computing kpt #: 34 total cpu time spent up to now is 25.0 secs Computing kpt #: 35 total cpu time spent up to now is 25.6 secs Computing kpt #: 36 total cpu time spent up to now is 26.2 secs Computing kpt #: 37 total cpu time spent up to now is 26.8 secs Computing kpt #: 38 total cpu time spent up to now is 27.4 secs Computing kpt #: 39 total cpu time spent up to now is 28.0 secs Computing kpt #: 40 total cpu time spent up to now is 28.5 secs Computing kpt #: 41 total cpu time spent up to now is 29.2 secs Computing kpt #: 42 total cpu time spent up to now is 29.7 secs Computing kpt #: 43 total cpu time spent up to now is 30.3 secs Computing kpt #: 44 total cpu time spent up to now is 30.9 secs Computing kpt #: 45 total cpu time spent up to now is 31.6 secs Computing kpt #: 46 total cpu time spent up to now is 32.2 secs Computing kpt #: 47 total cpu time spent up to now is 32.8 secs Computing kpt #: 48 total cpu time spent up to now is 33.3 secs Computing kpt #: 49 total cpu time spent up to now is 33.9 secs Computing kpt #: 50 total cpu time spent up to now is 34.5 secs Computing kpt #: 51 total cpu time spent up to now is 35.1 secs Computing kpt #: 52 total cpu time spent up to now is 35.7 secs Computing kpt #: 53 total cpu time spent up to now is 36.3 secs Computing kpt #: 54 total cpu time spent up to now is 36.9 secs Computing kpt #: 55 total cpu time spent up to now is 37.5 secs Computing kpt #: 56 total cpu time spent up to now is 38.1 secs Computing kpt #: 57 total cpu time spent up to now is 38.7 secs Computing kpt #: 58 total cpu time spent up to now is 39.2 secs Computing kpt #: 59 total cpu time spent up to now is 39.8 secs Computing kpt #: 60 total cpu time spent up to now is 40.4 secs Computing kpt #: 61 total cpu time spent up to now is 41.0 secs Computing kpt #: 62 total cpu time spent up to now is 41.5 secs Computing kpt #: 63 total cpu time spent up to now is 42.2 secs Computing kpt #: 64 total cpu time spent up to now is 42.7 secs Computing kpt #: 65 total cpu time spent up to now is 43.3 secs Computing kpt #: 66 total cpu time spent up to now is 43.9 secs Computing kpt #: 67 total cpu time spent up to now is 44.5 secs Computing kpt #: 68 total cpu time spent up to now is 45.1 secs Computing kpt #: 69 total cpu time spent up to now is 45.7 secs Computing kpt #: 70 total cpu time spent up to now is 46.3 secs Computing kpt #: 71 total cpu time spent up to now is 46.9 secs Computing kpt #: 72 total cpu time spent up to now is 47.5 secs Computing kpt #: 73 total cpu time spent up to now is 48.1 secs Computing kpt #: 74 total cpu time spent up to now is 48.7 secs Computing kpt #: 75 total cpu time spent up to now is 49.3 secs Computing kpt #: 76 total cpu time spent up to now is 49.8 secs Computing kpt #: 77 total cpu time spent up to now is 50.4 secs Computing kpt #: 78 total cpu time spent up to now is 51.0 secs Computing kpt #: 79 total cpu time spent up to now is 51.5 secs Computing kpt #: 80 total cpu time spent up to now is 52.1 secs Computing kpt #: 81 total cpu time spent up to now is 52.7 secs Computing kpt #: 82 total cpu time spent up to now is 53.2 secs Computing kpt #: 83 total cpu time spent up to now is 53.8 secs Computing kpt #: 84 total cpu time spent up to now is 54.3 secs Computing kpt #: 85 total cpu time spent up to now is 54.9 secs Computing kpt #: 86 total cpu time spent up to now is 55.4 secs Computing kpt #: 87 total cpu time spent up to now is 56.0 secs Computing kpt #: 88 total cpu time spent up to now is 56.6 secs Computing kpt #: 89 total cpu time spent up to now is 57.1 secs Computing kpt #: 90 total cpu time spent up to now is 57.7 secs Computing kpt #: 91 total cpu time spent up to now is 58.3 secs Computing kpt #: 92 total cpu time spent up to now is 58.8 secs Computing kpt #: 93 total cpu time spent up to now is 59.4 secs Computing kpt #: 94 total cpu time spent up to now is 60.0 secs Computing kpt #: 95 total cpu time spent up to now is 60.6 secs Computing kpt #: 96 total cpu time spent up to now is 61.2 secs Computing kpt #: 97 total cpu time spent up to now is 61.9 secs Computing kpt #: 98 total cpu time spent up to now is 62.5 secs Computing kpt #: 99 total cpu time spent up to now is 63.1 secs Computing kpt #: 100 total cpu time spent up to now is 63.7 secs Computing kpt #: 101 total cpu time spent up to now is 64.4 secs Computing kpt #: 102 total cpu time spent up to now is 65.0 secs Computing kpt #: 103 total cpu time spent up to now is 65.6 secs Computing kpt #: 104 total cpu time spent up to now is 66.2 secs Computing kpt #: 105 total cpu time spent up to now is 66.8 secs Computing kpt #: 106 total cpu time spent up to now is 67.4 secs Computing kpt #: 107 total cpu time spent up to now is 68.1 secs Computing kpt #: 108 total cpu time spent up to now is 68.7 secs Computing kpt #: 109 total cpu time spent up to now is 69.2 secs Computing kpt #: 110 total cpu time spent up to now is 69.8 secs Computing kpt #: 111 total cpu time spent up to now is 70.4 secs Computing kpt #: 112 total cpu time spent up to now is 71.0 secs Computing kpt #: 113 total cpu time spent up to now is 71.6 secs Computing kpt #: 114 total cpu time spent up to now is 72.2 secs Computing kpt #: 115 total cpu time spent up to now is 72.8 secs Computing kpt #: 116 total cpu time spent up to now is 73.5 secs Computing kpt #: 117 total cpu time spent up to now is 74.1 secs Computing kpt #: 118 total cpu time spent up to now is 74.8 secs Computing kpt #: 119 total cpu time spent up to now is 75.5 secs Computing kpt #: 120 total cpu time spent up to now is 76.1 secs Computing kpt #: 121 total cpu time spent up to now is 76.8 secs Computing kpt #: 122 total cpu time spent up to now is 77.4 secs Computing kpt #: 123 total cpu time spent up to now is 78.1 secs Computing kpt #: 124 total cpu time spent up to now is 78.8 secs Computing kpt #: 125 total cpu time spent up to now is 79.5 secs Computing kpt #: 126 total cpu time spent up to now is 80.1 secs Computing kpt #: 127 total cpu time spent up to now is 80.8 secs Computing kpt #: 128 total cpu time spent up to now is 81.4 secs Computing kpt #: 129 total cpu time spent up to now is 82.1 secs Computing kpt #: 130 total cpu time spent up to now is 82.7 secs Computing kpt #: 131 total cpu time spent up to now is 83.3 secs Computing kpt #: 132 total cpu time spent up to now is 83.9 secs Computing kpt #: 133 total cpu time spent up to now is 84.5 secs Computing kpt #: 134 total cpu time spent up to now is 85.1 secs Computing kpt #: 135 total cpu time spent up to now is 85.6 secs Computing kpt #: 136 total cpu time spent up to now is 86.2 secs Computing kpt #: 137 total cpu time spent up to now is 86.8 secs Computing kpt #: 138 total cpu time spent up to now is 87.4 secs Computing kpt #: 139 total cpu time spent up to now is 87.9 secs Computing kpt #: 140 total cpu time spent up to now is 88.5 secs Computing kpt #: 141 total cpu time spent up to now is 89.0 secs Computing kpt #: 142 total cpu time spent up to now is 89.6 secs Computing kpt #: 143 total cpu time spent up to now is 90.1 secs Computing kpt #: 144 total cpu time spent up to now is 90.7 secs Computing kpt #: 145 total cpu time spent up to now is 91.2 secs Computing kpt #: 146 total cpu time spent up to now is 91.8 secs Computing kpt #: 147 total cpu time spent up to now is 92.3 secs Computing kpt #: 148 total cpu time spent up to now is 92.8 secs Computing kpt #: 149 total cpu time spent up to now is 93.4 secs Computing kpt #: 150 total cpu time spent up to now is 93.9 secs Computing kpt #: 151 total cpu time spent up to now is 94.5 secs Computing kpt #: 152 total cpu time spent up to now is 95.0 secs Computing kpt #: 153 total cpu time spent up to now is 95.5 secs Computing kpt #: 154 total cpu time spent up to now is 96.1 secs Computing kpt #: 155 total cpu time spent up to now is 96.6 secs Computing kpt #: 156 total cpu time spent up to now is 97.1 secs Computing kpt #: 157 total cpu time spent up to now is 97.7 secs Computing kpt #: 158 total cpu time spent up to now is 98.2 secs Computing kpt #: 159 total cpu time spent up to now is 98.7 secs Computing kpt #: 160 total cpu time spent up to now is 99.3 secs Computing kpt #: 161 total cpu time spent up to now is 99.8 secs Computing kpt #: 162 total cpu time spent up to now is 100.3 secs Computing kpt #: 163 total cpu time spent up to now is 100.9 secs Computing kpt #: 164 total cpu time spent up to now is 101.4 secs Computing kpt #: 165 total cpu time spent up to now is 101.9 secs Computing kpt #: 166 total cpu time spent up to now is 102.5 secs Computing kpt #: 167 total cpu time spent up to now is 103.0 secs Computing kpt #: 168 total cpu time spent up to now is 103.5 secs Computing kpt #: 169 total cpu time spent up to now is 104.0 secs Computing kpt #: 170 total cpu time spent up to now is 104.6 secs Computing kpt #: 171 total cpu time spent up to now is 105.1 secs Computing kpt #: 172 total cpu time spent up to now is 105.6 secs Computing kpt #: 173 total cpu time spent up to now is 106.2 secs Computing kpt #: 174 total cpu time spent up to now is 106.8 secs Computing kpt #: 175 total cpu time spent up to now is 107.3 secs Computing kpt #: 176 total cpu time spent up to now is 107.8 secs Computing kpt #: 177 total cpu time spent up to now is 108.5 secs Computing kpt #: 178 total cpu time spent up to now is 109.1 secs Computing kpt #: 179 total cpu time spent up to now is 109.7 secs Computing kpt #: 180 total cpu time spent up to now is 110.2 secs Computing kpt #: 181 total cpu time spent up to now is 110.8 secs Computing kpt #: 182 total cpu time spent up to now is 111.4 secs Computing kpt #: 183 total cpu time spent up to now is 112.0 secs Computing kpt #: 184 total cpu time spent up to now is 112.7 secs Computing kpt #: 185 total cpu time spent up to now is 113.3 secs Computing kpt #: 186 total cpu time spent up to now is 113.9 secs Computing kpt #: 187 total cpu time spent up to now is 114.6 secs Computing kpt #: 188 total cpu time spent up to now is 115.2 secs Computing kpt #: 189 total cpu time spent up to now is 115.8 secs Computing kpt #: 190 total cpu time spent up to now is 116.4 secs Computing kpt #: 191 total cpu time spent up to now is 117.0 secs Computing kpt #: 192 total cpu time spent up to now is 117.7 secs Computing kpt #: 193 total cpu time spent up to now is 118.3 secs Computing kpt #: 194 total cpu time spent up to now is 119.0 secs Computing kpt #: 195 total cpu time spent up to now is 119.6 secs Computing kpt #: 196 total cpu time spent up to now is 120.3 secs Computing kpt #: 197 total cpu time spent up to now is 120.9 secs Computing kpt #: 198 total cpu time spent up to now is 121.6 secs Computing kpt #: 199 total cpu time spent up to now is 122.2 secs Computing kpt #: 200 total cpu time spent up to now is 122.8 secs Computing kpt #: 201 total cpu time spent up to now is 123.4 secs Computing kpt #: 202 total cpu time spent up to now is 124.1 secs Computing kpt #: 203 total cpu time spent up to now is 124.7 secs Computing kpt #: 204 total cpu time spent up to now is 125.3 secs Computing kpt #: 205 total cpu time spent up to now is 125.9 secs Computing kpt #: 206 total cpu time spent up to now is 126.5 secs Computing kpt #: 207 total cpu time spent up to now is 127.0 secs Computing kpt #: 208 total cpu time spent up to now is 127.6 secs Computing kpt #: 209 total cpu time spent up to now is 128.2 secs Computing kpt #: 210 total cpu time spent up to now is 128.8 secs Computing kpt #: 211 total cpu time spent up to now is 129.4 secs Computing kpt #: 212 total cpu time spent up to now is 130.0 secs Computing kpt #: 213 total cpu time spent up to now is 130.6 secs Computing kpt #: 214 total cpu time spent up to now is 131.1 secs Computing kpt #: 215 total cpu time spent up to now is 131.7 secs Computing kpt #: 216 total cpu time spent up to now is 132.3 secs Computing kpt #: 217 total cpu time spent up to now is 132.9 secs Computing kpt #: 218 total cpu time spent up to now is 133.4 secs Computing kpt #: 219 total cpu time spent up to now is 134.1 secs Computing kpt #: 220 total cpu time spent up to now is 134.7 secs Computing kpt #: 221 total cpu time spent up to now is 135.3 secs Computing kpt #: 222 total cpu time spent up to now is 135.9 secs Computing kpt #: 223 total cpu time spent up to now is 136.5 secs Computing kpt #: 224 total cpu time spent up to now is 137.0 secs Computing kpt #: 225 total cpu time spent up to now is 137.7 secs Computing kpt #: 226 total cpu time spent up to now is 138.3 secs Computing kpt #: 227 total cpu time spent up to now is 138.9 secs Computing kpt #: 228 total cpu time spent up to now is 139.5 secs Computing kpt #: 229 total cpu time spent up to now is 140.1 secs Computing kpt #: 230 total cpu time spent up to now is 140.7 secs Computing kpt #: 231 total cpu time spent up to now is 141.3 secs Computing kpt #: 232 total cpu time spent up to now is 141.9 secs Computing kpt #: 233 total cpu time spent up to now is 142.5 secs Computing kpt #: 234 total cpu time spent up to now is 143.1 secs Computing kpt #: 235 total cpu time spent up to now is 143.7 secs Computing kpt #: 236 total cpu time spent up to now is 144.3 secs Computing kpt #: 237 total cpu time spent up to now is 144.9 secs Computing kpt #: 238 total cpu time spent up to now is 145.5 secs Computing kpt #: 239 total cpu time spent up to now is 146.1 secs Computing kpt #: 240 total cpu time spent up to now is 146.7 secs Computing kpt #: 241 total cpu time spent up to now is 147.3 secs Computing kpt #: 242 total cpu time spent up to now is 148.0 secs Computing kpt #: 243 total cpu time spent up to now is 148.6 secs Computing kpt #: 244 total cpu time spent up to now is 149.2 secs Computing kpt #: 245 total cpu time spent up to now is 149.8 secs Computing kpt #: 246 total cpu time spent up to now is 150.4 secs Computing kpt #: 247 total cpu time spent up to now is 151.0 secs Computing kpt #: 248 total cpu time spent up to now is 151.6 secs Computing kpt #: 249 total cpu time spent up to now is 152.2 secs Computing kpt #: 250 total cpu time spent up to now is 152.8 secs Computing kpt #: 251 total cpu time spent up to now is 153.4 secs Computing kpt #: 252 total cpu time spent up to now is 154.0 secs Computing kpt #: 253 total cpu time spent up to now is 154.6 secs Computing kpt #: 254 total cpu time spent up to now is 155.1 secs Computing kpt #: 255 total cpu time spent up to now is 155.7 secs Computing kpt #: 256 total cpu time spent up to now is 156.3 secs Computing kpt #: 257 total cpu time spent up to now is 156.9 secs Computing kpt #: 258 total cpu time spent up to now is 157.5 secs Computing kpt #: 259 total cpu time spent up to now is 158.1 secs Computing kpt #: 260 total cpu time spent up to now is 158.7 secs Computing kpt #: 261 total cpu time spent up to now is 159.3 secs Computing kpt #: 262 total cpu time spent up to now is 159.9 secs Computing kpt #: 263 total cpu time spent up to now is 160.5 secs Computing kpt #: 264 total cpu time spent up to now is 161.1 secs Computing kpt #: 265 total cpu time spent up to now is 161.7 secs Computing kpt #: 266 total cpu time spent up to now is 162.3 secs Computing kpt #: 267 total cpu time spent up to now is 163.0 secs Computing kpt #: 268 total cpu time spent up to now is 163.6 secs Computing kpt #: 269 total cpu time spent up to now is 164.2 secs Computing kpt #: 270 total cpu time spent up to now is 164.9 secs Computing kpt #: 271 total cpu time spent up to now is 165.5 secs Computing kpt #: 272 total cpu time spent up to now is 166.2 secs Computing kpt #: 273 total cpu time spent up to now is 166.9 secs Computing kpt #: 274 total cpu time spent up to now is 167.5 secs Computing kpt #: 275 total cpu time spent up to now is 168.3 secs Computing kpt #: 276 total cpu time spent up to now is 168.9 secs Computing kpt #: 277 total cpu time spent up to now is 169.6 secs Computing kpt #: 278 total cpu time spent up to now is 170.3 secs Computing kpt #: 279 total cpu time spent up to now is 171.0 secs Computing kpt #: 280 total cpu time spent up to now is 171.6 secs Computing kpt #: 281 total cpu time spent up to now is 172.3 secs Computing kpt #: 282 total cpu time spent up to now is 172.8 secs Computing kpt #: 283 total cpu time spent up to now is 173.4 secs Computing kpt #: 284 total cpu time spent up to now is 174.0 secs Computing kpt #: 285 total cpu time spent up to now is 174.7 secs Computing kpt #: 286 total cpu time spent up to now is 175.2 secs Computing kpt #: 287 total cpu time spent up to now is 175.8 secs Computing kpt #: 288 total cpu time spent up to now is 176.4 secs Computing kpt #: 289 total cpu time spent up to now is 177.0 secs Computing kpt #: 290 total cpu time spent up to now is 177.7 secs Computing kpt #: 291 total cpu time spent up to now is 178.3 secs Computing kpt #: 292 total cpu time spent up to now is 178.9 secs Computing kpt #: 293 total cpu time spent up to now is 179.6 secs Computing kpt #: 294 total cpu time spent up to now is 180.2 secs Computing kpt #: 295 total cpu time spent up to now is 180.8 secs Computing kpt #: 296 total cpu time spent up to now is 181.4 secs Computing kpt #: 297 total cpu time spent up to now is 182.1 secs Computing kpt #: 298 total cpu time spent up to now is 182.6 secs Computing kpt #: 299 total cpu time spent up to now is 183.2 secs Computing kpt #: 300 total cpu time spent up to now is 183.7 secs Computing kpt #: 301 total cpu time spent up to now is 184.4 secs Computing kpt #: 302 total cpu time spent up to now is 185.0 secs Computing kpt #: 303 total cpu time spent up to now is 185.5 secs Computing kpt #: 304 total cpu time spent up to now is 186.2 secs Computing kpt #: 305 total cpu time spent up to now is 186.8 secs Computing kpt #: 306 total cpu time spent up to now is 187.4 secs Computing kpt #: 307 total cpu time spent up to now is 187.9 secs Computing kpt #: 308 total cpu time spent up to now is 188.5 secs Computing kpt #: 309 total cpu time spent up to now is 189.0 secs Computing kpt #: 310 total cpu time spent up to now is 189.6 secs Computing kpt #: 311 total cpu time spent up to now is 190.1 secs Computing kpt #: 312 total cpu time spent up to now is 190.6 secs Computing kpt #: 313 total cpu time spent up to now is 191.2 secs Computing kpt #: 314 total cpu time spent up to now is 191.8 secs Computing kpt #: 315 total cpu time spent up to now is 192.4 secs Computing kpt #: 316 total cpu time spent up to now is 193.0 secs Computing kpt #: 317 total cpu time spent up to now is 193.6 secs Computing kpt #: 318 total cpu time spent up to now is 194.1 secs Computing kpt #: 319 total cpu time spent up to now is 194.8 secs Computing kpt #: 320 total cpu time spent up to now is 195.3 secs Computing kpt #: 321 total cpu time spent up to now is 195.9 secs Computing kpt #: 322 total cpu time spent up to now is 196.5 secs Computing kpt #: 323 total cpu time spent up to now is 197.0 secs Computing kpt #: 324 total cpu time spent up to now is 197.7 secs Computing kpt #: 325 total cpu time spent up to now is 198.3 secs Computing kpt #: 326 total cpu time spent up to now is 198.8 secs Computing kpt #: 327 total cpu time spent up to now is 199.4 secs Computing kpt #: 328 total cpu time spent up to now is 200.0 secs Computing kpt #: 329 total cpu time spent up to now is 200.5 secs Computing kpt #: 330 total cpu time spent up to now is 201.2 secs Computing kpt #: 331 total cpu time spent up to now is 201.7 secs Computing kpt #: 332 total cpu time spent up to now is 202.3 secs Computing kpt #: 333 total cpu time spent up to now is 202.9 secs Computing kpt #: 334 total cpu time spent up to now is 203.4 secs Computing kpt #: 335 total cpu time spent up to now is 204.0 secs Computing kpt #: 336 total cpu time spent up to now is 204.6 secs Computing kpt #: 337 total cpu time spent up to now is 205.2 secs Computing kpt #: 338 total cpu time spent up to now is 205.7 secs Computing kpt #: 339 total cpu time spent up to now is 206.3 secs Computing kpt #: 340 total cpu time spent up to now is 206.9 secs Computing kpt #: 341 total cpu time spent up to now is 207.5 secs Computing kpt #: 342 total cpu time spent up to now is 208.1 secs Computing kpt #: 343 total cpu time spent up to now is 208.6 secs Computing kpt #: 344 total cpu time spent up to now is 209.2 secs Computing kpt #: 345 total cpu time spent up to now is 209.8 secs Computing kpt #: 346 total cpu time spent up to now is 210.3 secs Computing kpt #: 347 total cpu time spent up to now is 210.9 secs Computing kpt #: 348 total cpu time spent up to now is 211.5 secs Computing kpt #: 349 total cpu time spent up to now is 212.2 secs Computing kpt #: 350 total cpu time spent up to now is 212.8 secs Computing kpt #: 351 total cpu time spent up to now is 213.4 secs Computing kpt #: 352 total cpu time spent up to now is 214.0 secs Computing kpt #: 353 total cpu time spent up to now is 214.7 secs Computing kpt #: 354 total cpu time spent up to now is 215.3 secs Computing kpt #: 355 total cpu time spent up to now is 215.9 secs Computing kpt #: 356 total cpu time spent up to now is 216.5 secs Computing kpt #: 357 total cpu time spent up to now is 217.0 secs Computing kpt #: 358 total cpu time spent up to now is 217.6 secs Computing kpt #: 359 total cpu time spent up to now is 218.2 secs Computing kpt #: 360 total cpu time spent up to now is 218.8 secs Computing kpt #: 361 total cpu time spent up to now is 219.4 secs Computing kpt #: 362 total cpu time spent up to now is 220.0 secs Computing kpt #: 363 total cpu time spent up to now is 220.6 secs Computing kpt #: 364 total cpu time spent up to now is 221.2 secs Computing kpt #: 365 total cpu time spent up to now is 221.8 secs Computing kpt #: 366 total cpu time spent up to now is 222.4 secs Computing kpt #: 367 total cpu time spent up to now is 222.9 secs Computing kpt #: 368 total cpu time spent up to now is 223.5 secs ethr = 3.57E-11, avg # of iterations = 39.2 total cpu time spent up to now is 223.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3293 PWs) bands (ev): -13.4012 -13.4012 -11.2022 -11.2022 -10.5860 -10.5860 -4.8755 -4.8755 -2.1830 -2.1830 0.2892 0.2892 0.7277 0.7277 2.7295 2.7295 3.2055 3.2055 3.5039 3.5039 4.0856 4.0856 4.1308 4.1308 4.1416 4.1416 4.8921 4.8921 6.6987 6.6987 7.4648 7.4648 9.8105 9.8105 9.8979 9.8979 k = 0.0000 0.0122-0.0000 ( 3303 PWs) bands (ev): -13.4005 -13.4004 -11.2029 -11.2028 -10.5859 -10.5856 -4.8753 -4.8753 -2.1856 -2.1841 0.2876 0.2916 0.7277 0.7283 2.7128 2.7416 3.1867 3.2240 3.5003 3.5066 4.0631 4.0920 4.1245 4.1331 4.1368 4.1592 4.8927 4.8944 6.7001 6.7085 7.4576 7.4729 9.7960 9.8223 9.8801 9.9122 k = 0.0000 0.0244-0.0000 ( 3295 PWs) bands (ev): -13.3983 -13.3980 -11.2047 -11.2044 -10.5854 -10.5848 -4.8747 -4.8747 -2.1918 -2.1887 0.2867 0.2946 0.7281 0.7295 2.6920 2.7486 3.1684 3.2415 3.4959 3.5082 4.0359 4.0668 4.1309 4.1331 4.1441 4.1767 4.8963 4.8996 6.7126 6.7293 7.4513 7.4819 9.7744 9.8342 9.8644 9.9201 k = 0.0000 0.0366-0.0000 ( 3297 PWs) bands (ev): -13.3946 -13.3941 -11.2076 -11.2073 -10.5844 -10.5836 -4.8738 -4.8737 -2.2016 -2.1970 0.2863 0.2984 0.7292 0.7312 2.6676 2.7501 3.1513 3.2571 3.4911 3.5086 4.0048 4.0295 4.1317 4.1327 4.1622 4.1920 4.9027 4.9076 6.7359 6.7606 7.4459 7.4918 9.7419 9.8475 9.8554 9.9201 k = 0.0000 0.0488-0.0000 ( 3295 PWs) bands (ev): -13.3893 -13.3887 -11.2117 -11.2113 -10.5831 -10.5820 -4.8724 -4.8723 -2.2148 -2.2089 0.2865 0.3030 0.7311 0.7334 2.6399 2.7457 3.1361 3.2700 3.4862 3.5078 3.9696 3.9854 4.1311 4.1320 4.1822 4.2055 4.9119 4.9184 6.7693 6.8015 7.4413 7.5024 9.6997 9.8534 9.8627 9.9122 k = 0.0000 0.0610-0.0000 ( 3291 PWs) bands (ev): -13.3825 -13.3818 -11.2170 -11.2165 -10.5813 -10.5799 -4.8706 -4.8704 -2.2315 -2.2242 0.2872 0.3083 0.7337 0.7364 2.6091 2.7353 3.1227 3.2794 3.4815 3.5058 3.9302 3.9356 4.1303 4.1311 4.2028 4.2183 4.9238 4.9318 6.8120 6.8512 7.4377 7.5137 9.6510 9.8567 9.8798 9.8971 k = 0.0000 0.0732-0.0000 ( 3295 PWs) bands (ev): -13.3743 -13.3733 -11.2234 -11.2228 -10.5791 -10.5775 -4.8683 -4.8681 -2.2516 -2.2431 0.2884 0.3144 0.7374 0.7401 2.5756 2.7192 3.1113 3.2846 3.4775 3.5027 3.8809 3.8866 4.1293 4.1301 4.2236 4.2311 4.9382 4.9476 6.8631 6.9087 7.4349 7.5255 9.5984 9.8638 9.8752 9.8999 k = 0.0000 0.0854-0.0000 ( 3294 PWs) bands (ev): -13.3645 -13.3634 -11.2310 -11.2303 -10.5765 -10.5746 -4.8656 -4.8654 -2.2749 -2.2653 0.2899 0.3213 0.7421 0.7448 2.5396 2.6979 3.1012 3.2852 3.4744 3.4984 3.8220 3.8392 4.1283 4.1291 4.2443 4.2448 4.9550 4.9655 6.9214 6.9726 7.4330 7.5377 9.5438 9.8489 9.8742 9.9216 k = 0.0000 0.0976-0.0000 ( 3298 PWs) bands (ev): -13.3532 -13.3520 -11.2398 -11.2391 -10.5735 -10.5714 -4.8624 -4.8621 -2.3014 -2.2908 0.2918 0.3289 0.7482 0.7505 2.5012 2.6719 3.0920 3.2811 3.4722 3.4930 3.7598 3.7885 4.1272 4.1280 4.2584 4.2662 4.9739 4.9854 6.9860 7.0419 7.4323 7.5501 9.4890 9.8188 9.8872 9.9457 k = 0.0000 0.1098-0.0000 ( 3298 PWs) bands (ev): -13.3405 -13.3391 -11.2497 -11.2490 -10.5701 -10.5678 -4.8585 -4.8582 -2.3310 -2.3194 0.2941 0.3372 0.7556 0.7574 2.4606 2.6421 3.0827 3.2722 3.4702 3.4863 3.6954 3.7353 4.1262 4.1271 4.2736 4.2880 4.9946 5.0069 7.0557 7.1150 7.4331 7.5626 9.4353 9.7865 9.9027 9.9720 k = 0.0000 0.1220-0.0000 ( 3298 PWs) bands (ev): -13.3264 -13.3248 -11.2609 -11.2601 -10.5664 -10.5638 -4.8540 -4.8537 -2.3635 -2.3512 0.2966 0.3462 0.7647 0.7656 2.4179 2.6091 3.0727 3.2591 3.4676 3.4779 3.6301 3.6809 4.1254 4.1262 4.2898 4.3099 5.0168 5.0297 7.1295 7.1898 7.4366 7.5750 9.3837 9.7531 9.9203 10.0003 k = 0.0000 0.1341-0.0000 ( 3298 PWs) bands (ev): -13.3108 -13.3091 -11.2732 -11.2725 -10.5624 -10.5595 -4.8489 -4.8486 -2.3988 -2.3859 0.2995 0.3560 0.7752 0.7754 2.3734 2.5734 3.0612 3.2422 3.4625 3.4657 3.5670 3.6274 4.1246 4.1255 4.3071 4.3319 5.0402 5.0535 7.2061 7.2625 7.4456 7.5875 9.3352 9.7199 9.9398 10.0305 k = 0.0000 0.1463-0.0000 ( 3302 PWs) bands (ev): -13.2938 -13.2920 -11.2867 -11.2860 -10.5581 -10.5550 -4.8430 -4.8427 -2.4368 -2.4233 0.3028 0.3664 0.7865 0.7879 2.3271 2.5355 3.0475 3.2219 3.4415 3.4508 3.5150 3.5788 4.1241 4.1250 4.3254 4.3540 5.0644 5.0779 7.2841 7.3244 7.4681 7.6004 9.2905 9.6876 9.9610 10.0624 k = 0.0000 0.1585-0.0000 ( 3300 PWs) bands (ev): -13.2755 -13.2736 -11.3015 -11.3008 -10.5534 -10.5501 -4.8363 -4.8360 -2.4774 -2.4635 0.3065 0.3776 0.7994 0.8023 2.2793 2.4960 3.0309 3.1986 3.3935 3.4255 3.4871 3.5426 4.1238 4.1247 4.3445 4.3761 5.0890 5.1025 7.3615 7.3633 7.5155 7.6148 9.2503 9.6572 9.9835 10.0958 k = 0.0000 0.1707-0.0000 ( 3298 PWs) bands (ev): -13.2559 -13.2538 -11.3174 -11.3167 -10.5486 -10.5450 -4.8287 -4.8284 -2.5203 -2.5061 0.3108 0.3895 0.8142 0.8187 2.2301 2.4550 3.0108 3.1724 3.3318 3.3828 3.4741 3.5228 4.1237 4.1246 4.3643 4.3982 5.1137 5.1271 7.3811 7.4345 7.5851 7.6338 9.2149 9.6293 10.0072 10.1304 k = 0.0000 0.1829-0.0000 ( 3298 PWs) bands (ev): -13.2349 -13.2327 -11.3345 -11.3339 -10.5434 -10.5397 -4.8202 -4.8199 -2.5654 -2.5510 0.3157 0.4022 0.8308 0.8370 2.1797 2.4128 2.9865 3.1437 3.2674 3.3291 3.4659 3.5134 4.1238 4.1248 4.3846 4.4201 5.1381 5.1513 7.3894 7.4958 7.6637 7.6648 9.1845 9.6043 10.0317 10.1658 k = 0.0000 0.1951-0.0000 ( 3302 PWs) bands (ev): -13.2127 -13.2104 -11.3528 -11.3523 -10.5381 -10.5342 -4.8108 -4.8105 -2.6127 -2.5981 0.3213 0.4157 0.8494 0.8573 2.1283 2.3697 2.9571 3.1124 3.2041 3.2705 3.4598 3.5087 4.1242 4.1252 4.4053 4.4419 5.1617 5.1747 7.3941 7.5368 7.7126 7.7481 9.1591 9.5828 10.0567 10.2016 k = 0.0000 0.2073-0.0000 ( 3306 PWs) bands (ev): -13.1893 -13.1869 -11.3722 -11.3718 -10.5326 -10.5285 -4.8002 -4.8000 -2.6618 -2.6472 0.3278 0.4302 0.8699 0.8795 2.0759 2.3259 2.9220 3.0784 3.1438 3.2102 3.4551 3.5059 4.1249 4.1259 4.4263 4.4635 5.1844 5.1971 7.3974 7.5585 7.7791 7.8320 9.1388 9.5648 10.0819 10.2373 k = 0.0000 0.2195-0.0000 ( 3302 PWs) bands (ev): -13.1647 -13.1622 -11.3929 -11.3925 -10.5269 -10.5227 -4.7885 -4.7884 -2.7128 -2.6982 0.3353 0.4457 0.8923 0.9037 2.0230 2.2814 2.8807 3.0415 3.0873 3.1499 3.4515 3.5041 4.1258 4.1269 4.4474 4.4849 5.2057 5.2183 7.4003 7.5687 7.8550 7.9150 9.1233 9.5507 10.1070 10.2723 k = 0.0000 0.2317-0.0000 ( 3298 PWs) bands (ev): -13.1390 -13.1364 -11.4146 -11.4144 -10.5211 -10.5168 -4.7756 -4.7755 -2.7653 -2.7508 0.3439 0.4622 0.9166 0.9297 1.9695 2.2366 2.8334 3.0012 3.0351 3.0910 3.4490 3.5029 4.1270 4.1281 4.4686 4.5060 5.2254 5.2379 7.4032 7.5727 7.9345 7.9962 9.1122 9.5405 10.1319 10.3056 k = 0.0000 0.2439-0.0000 ( 3310 PWs) bands (ev): -13.1123 -13.1096 -11.4375 -11.4373 -10.5152 -10.5109 -4.7615 -4.7615 -2.8193 -2.8049 0.3538 0.4799 0.9428 0.9575 1.9158 2.1914 2.7810 2.9567 2.9864 3.0345 3.4473 3.5019 4.1284 4.1295 4.4898 4.5269 5.2433 5.2559 7.4064 7.5733 8.0145 8.0745 9.1053 9.5343 10.1562 10.3364 k = 0.0000 0.2561-0.0000 ( 3298 PWs) bands (ev): -13.0845 -13.0817 -11.4614 -11.4614 -10.5093 -10.5049 -4.7460 -4.7459 -2.8744 -2.8602 0.3651 0.4989 0.9709 0.9870 1.8620 2.1460 2.7250 2.9076 2.9403 2.9814 3.4464 3.5012 4.1300 4.1311 4.5109 4.5475 5.2593 5.2720 7.4101 7.5718 8.0934 8.1494 9.1023 9.5321 10.1801 10.3633 k = 0.0000 0.2683-0.0000 ( 3294 PWs) bands (ev): -13.0558 -13.0530 -11.4864 -11.4863 -10.5034 -10.4989 -4.7293 -4.7290 -2.9307 -2.9167 0.3778 0.5193 1.0007 1.0182 1.8083 2.1005 2.6668 2.8542 2.8957 2.9316 3.4464 3.5007 4.1318 4.1329 4.5319 4.5678 5.2732 5.2862 7.4143 7.5689 8.1701 8.2201 9.1029 9.5338 10.2034 10.3849 k = 0.0000 0.2805-0.0000 ( 3298 PWs) bands (ev): -13.0263 -13.0234 -11.5124 -11.5122 -10.4974 -10.4930 -4.7112 -4.7107 -2.9879 -2.9741 0.3920 0.5411 1.0321 1.0510 1.7549 2.0550 2.6076 2.7982 2.8516 2.8838 3.4470 3.5004 4.1337 4.1349 4.5526 4.5878 5.2849 5.2983 7.4189 7.5652 8.2436 8.2860 9.1070 9.5392 10.2264 10.4002 k = 0.0000 0.2927-0.0000 ( 3298 PWs) bands (ev): -12.9960 -12.9931 -11.5394 -11.5390 -10.4916 -10.4871 -4.6915 -4.6910 -3.0458 -3.0323 0.4079 0.5644 1.0651 1.0851 1.7019 2.0097 2.5485 2.7408 2.8074 2.8370 3.4482 3.5002 4.1358 4.1369 4.5731 4.6074 5.2945 5.3083 7.4241 7.5610 8.3129 8.3467 9.1147 9.5481 10.2492 10.4092 k = 0.0000 0.3049-0.0000 ( 3306 PWs) bands (ev): -12.9650 -12.9621 -11.5671 -11.5666 -10.4858 -10.4814 -4.6705 -4.6697 -3.1043 -3.0910 0.4255 0.5893 1.0995 1.1207 1.6494 1.9645 2.4902 2.6832 2.7629 2.7903 3.4500 3.5003 4.1380 4.1391 4.5933 4.6267 5.3019 5.3163 7.4296 7.5567 8.3772 8.4018 9.1260 9.5601 10.2719 10.4133 k = 0.0000 0.3171-0.0000 ( 3300 PWs) bands (ev): -12.9335 -12.9305 -11.5956 -11.5949 -10.4801 -10.4759 -4.6479 -4.6469 -3.1631 -3.1501 0.4448 0.6158 1.1353 1.1574 1.5977 1.9194 2.4333 2.6261 2.7179 2.7434 3.4523 3.5005 4.1402 4.1414 4.6131 4.6455 5.3074 5.3223 7.4356 7.5524 8.4357 8.4510 9.1413 9.5747 10.2948 10.4147 k = 0.0000 0.3293-0.0000 ( 3300 PWs) bands (ev): -12.9015 -12.8985 -11.6246 -11.6238 -10.4746 -10.4705 -4.6237 -4.6225 -3.2221 -3.2095 0.4658 0.6440 1.1721 1.1952 1.5468 1.8745 2.3784 2.5700 2.6723 2.6960 3.4550 3.5009 4.1425 4.1436 4.6326 4.6639 5.3109 5.3264 7.4417 7.5482 8.4876 8.4943 9.1610 9.5914 10.3178 10.4154 k = 0.0000 0.3415-0.0000 ( 3296 PWs) bands (ev): -12.8693 -12.8663 -11.6541 -11.6532 -10.4693 -10.4653 -4.5981 -4.5966 -3.2811 -3.2688 0.4885 0.6739 1.2099 1.2338 1.4969 1.8298 2.3258 2.5154 2.6261 2.6482 3.4580 3.5014 4.1448 4.1459 4.6516 4.6817 5.3128 5.3287 7.4480 7.5443 8.5317 8.5325 9.1850 9.6093 10.3409 10.4171 k = 0.0000 0.3537-0.0000 ( 3294 PWs) bands (ev): -12.8369 -12.8339 -11.6840 -11.6830 -10.4643 -10.4604 -4.5709 -4.5691 -3.3399 -3.3280 0.5128 0.7055 1.2480 1.2731 1.4485 1.7852 2.2762 2.4625 2.5796 2.5999 3.4614 3.5020 4.1471 4.1481 4.6701 4.6990 5.3131 5.3293 7.4544 7.5407 8.5636 8.5701 9.2135 9.6275 10.3641 10.4207 k = 0.0000 0.3659-0.0000 ( 3292 PWs) bands (ev): -12.8046 -12.8016 -11.7139 -11.7128 -10.4594 -10.4558 -4.5423 -4.5403 -3.3982 -3.3867 0.5389 0.7389 1.2852 1.3127 1.4027 1.7407 2.2300 2.4117 2.5327 2.5513 3.4649 3.5026 4.1493 4.1503 4.6881 4.7156 5.3120 5.3284 7.4607 7.5374 8.5903 8.6007 9.2459 9.6452 10.3871 10.4268 k = 0.0000 0.3780-0.0000 ( 3294 PWs) bands (ev): -12.7725 -12.7697 -11.7438 -11.7426 -10.4549 -10.4515 -4.5123 -4.5100 -3.4558 -3.4448 0.5666 0.7739 1.3121 1.3523 1.3687 1.6964 2.1877 2.3634 2.4858 2.5025 3.4685 3.5032 4.1514 4.1524 4.7054 4.7313 5.3099 5.3263 7.4669 7.5345 8.6123 8.6249 9.2817 9.6615 10.4096 10.4356 k = 0.0000 0.3902-0.0000 ( 3284 PWs) bands (ev): -12.7410 -12.7383 -11.7733 -11.7720 -10.4507 -10.4476 -4.4810 -4.4784 -3.5125 -3.5019 0.5958 0.8106 1.2923 1.3825 1.3909 1.6527 2.1497 2.3179 2.4392 2.4536 3.4722 3.5038 4.1535 4.1543 4.7219 4.7462 5.3069 5.3230 7.4728 7.5318 8.6302 8.6434 9.3199 9.6756 10.4314 10.4467 k = 0.0000 0.4024-0.0000 ( 3284 PWs) bands (ev): -12.7105 -12.7078 -11.8021 -11.8008 -10.4468 -10.4440 -4.4487 -4.4458 -3.5679 -3.5579 0.6265 0.8488 1.2509 1.4188 1.4268 1.6109 2.1164 2.2757 2.3930 2.4050 3.4759 3.5042 4.1554 4.1562 4.7375 4.7600 5.3034 5.3189 7.4785 7.5293 8.6444 8.6572 9.3595 9.6867 10.4521 10.4599 k = 0.0000 0.4146-0.0000 ( 3268 PWs) bands (ev): -12.6812 -12.6787 -11.8297 -11.8284 -10.4433 -10.4408 -4.4155 -4.4124 -3.6216 -3.6122 0.6586 0.8887 1.2073 1.4548 1.4577 1.5756 2.0884 2.2372 2.3477 2.3568 3.4796 3.5045 4.1571 4.1578 4.7522 4.7726 5.2995 5.3142 7.4839 7.5270 8.6557 8.6673 9.3996 9.6943 10.4714 10.4742 k = 0.0000 0.4268-0.0000 ( 3268 PWs) bands (ev): -12.6536 -12.6513 -11.8558 -11.8545 -10.4402 -10.4380 -4.3819 -4.3786 -3.6732 -3.6644 0.6919 0.9300 1.1638 1.4591 1.4965 1.5619 2.0661 2.2028 2.3039 2.3094 3.4832 3.5047 4.1587 4.1593 4.7656 4.7838 5.2957 5.3091 7.4889 7.5248 8.6644 8.6745 9.4393 9.6981 10.4888 10.4890 k = 0.0000 0.4390-0.0000 ( 3272 PWs) bands (ev): -12.6284 -12.6264 -11.8797 -11.8785 -10.4375 -10.4356 -4.3485 -4.3451 -3.7218 -3.7138 0.7265 0.9726 1.1208 1.4318 1.5338 1.5769 2.0498 2.1732 2.2622 2.2632 3.4865 3.5046 4.1600 4.1606 4.7777 4.7934 5.2921 5.3039 7.4935 7.5227 8.6710 8.6793 9.4778 9.6977 10.5032 10.5042 k = 0.0000 0.4512-0.0000 ( 3276 PWs) bands (ev): -12.6062 -12.6045 -11.9007 -11.8997 -10.4352 -10.4337 -4.3163 -4.3129 -3.7665 -3.7594 0.7622 1.0162 1.0786 1.3906 1.5687 1.6018 2.0401 2.1490 2.2188 2.2236 3.4897 3.5042 4.1612 4.1616 4.7882 4.8012 5.2890 5.2990 7.4977 7.5206 8.6760 8.6825 9.5144 9.6932 10.5161 10.5172 k = 0.0000 0.4634-0.0000 ( 3280 PWs) bands (ev): -12.5878 -12.5864 -11.9182 -11.9174 -10.4334 -10.4323 -4.2865 -4.2834 -3.8056 -3.7997 0.7989 1.0346 1.0634 1.3451 1.5998 1.6254 2.0376 2.1310 2.1769 2.1890 3.4926 3.5035 4.1621 4.1624 4.7971 4.8070 5.2866 5.2944 7.5016 7.5185 8.6796 8.6844 9.5487 9.6844 10.5268 10.5276 k = 0.0000 0.4756-0.0000 ( 3272 PWs) bands (ev): -12.5738 -12.5728 -11.9313 -11.9307 -10.4320 -10.4313 -4.2614 -4.2590 -3.8368 -3.8325 0.8365 0.9944 1.1084 1.2979 1.6254 1.6435 2.0427 2.1201 2.1385 2.1598 3.4953 3.5026 4.1628 4.1630 4.8041 4.8108 5.2853 5.2906 7.5051 7.5162 8.6823 8.6854 9.5802 9.6714 10.5348 10.5353 k = 0.0000 0.4878-0.0000 ( 3274 PWs) bands (ev): -12.5650 -12.5645 -11.9395 -11.9392 -10.4311 -10.4308 -4.2440 -4.2426 -3.8570 -3.8547 0.8749 0.9540 1.1551 1.2502 1.6439 1.6533 2.0558 2.1047 2.1173 2.1374 3.4976 3.5012 4.1632 4.1633 4.8090 4.8125 5.2849 5.2877 7.5083 7.5138 8.6841 8.6856 9.6084 9.6543 10.5397 10.5399 k = 0.0000 0.5000-0.0000 ( 3280 PWs) bands (ev): -12.5618 -12.5618 -11.9421 -11.9421 -10.4307 -10.4307 -4.2373 -4.2373 -3.8634 -3.8634 0.9141 0.9141 1.2025 1.2025 1.6535 1.6535 2.0767 2.0767 2.1230 2.1230 3.4996 3.4996 4.1634 4.1634 4.8119 4.8119 5.2857 5.2857 7.5112 7.5112 8.6852 8.6852 9.6332 9.6332 10.5414 10.5414 k = 0.0000 0.5000-0.0000 ( 3280 PWs) bands (ev): -12.5618 -12.5618 -11.9421 -11.9421 -10.4307 -10.4307 -4.2373 -4.2373 -3.8634 -3.8634 0.9141 0.9141 1.2025 1.2025 1.6535 1.6535 2.0767 2.0767 2.1230 2.1230 3.4996 3.4996 4.1634 4.1634 4.8119 4.8119 5.2857 5.2857 7.5112 7.5112 8.6852 8.6852 9.6332 9.6332 10.5414 10.5414 k = 0.0122 0.5000-0.0000 ( 3280 PWs) bands (ev): -12.5619 -12.5610 -11.9422 -11.9413 -10.4307 -10.4303 -4.2381 -4.2380 -3.8651 -3.8647 0.9017 0.9226 1.1844 1.2107 1.6127 1.6938 2.0545 2.0960 2.1006 2.1703 3.4850 3.4996 4.1627 4.1755 4.8117 4.8126 5.2843 5.2859 7.5067 7.5095 8.6648 8.7030 9.6181 9.6519 10.5047 10.5745 k = 0.0244 0.5000-0.0000 ( 3282 PWs) bands (ev): -12.5613 -12.5596 -11.9414 -11.9398 -10.4303 -10.4295 -4.2405 -4.2403 -3.8697 -3.8689 0.8854 0.9276 1.1576 1.2087 1.5746 1.7275 2.0324 2.0966 2.1336 2.2262 3.4577 3.4848 4.1736 4.1975 4.8122 4.8140 5.2815 5.2848 7.4961 7.5018 8.6425 8.7178 9.6072 9.6737 10.4654 10.6029 k = 0.0366 0.5000-0.0000 ( 3278 PWs) bands (ev): -12.5601 -12.5575 -11.9399 -11.9374 -10.4294 -10.4282 -4.2445 -4.2442 -3.8772 -3.8759 0.8653 0.9292 1.1238 1.1975 1.5408 1.7457 2.0276 2.1151 2.1762 2.2869 3.4204 3.4565 4.1946 4.2269 4.8134 4.8160 5.2776 5.2825 7.4793 7.4881 8.6187 8.7290 9.6009 9.6979 10.4248 10.6255 k = 0.0488 0.5000-0.0000 ( 3274 PWs) bands (ev): -12.5582 -12.5548 -11.9376 -11.9343 -10.4282 -10.4266 -4.2501 -4.2497 -3.8875 -3.8858 0.8415 0.9277 1.0848 1.1785 1.5123 1.7430 2.0488 2.1459 2.2273 2.3506 3.3759 3.4170 4.2233 4.2612 4.8151 4.8186 5.2724 5.2789 7.4565 7.4685 8.5938 8.7363 9.5996 9.7242 10.3838 10.6421 k = 0.0610 0.5000-0.0000 ( 3280 PWs) bands (ev): -12.5556 -12.5514 -11.9346 -11.9305 -10.4266 -10.4246 -4.2572 -4.2568 -3.9007 -3.8986 0.8145 0.9234 1.0423 1.1536 1.4890 1.7237 2.0919 2.1860 2.2854 2.4166 3.3269 3.3690 4.2572 4.2983 4.8175 4.8218 5.2660 5.2741 7.4276 7.4432 8.5682 8.7392 9.6036 9.7520 10.3433 10.6526 k = 0.0732 0.5000-0.0000 ( 3286 PWs) bands (ev): -12.5524 -12.5474 -11.9308 -11.9259 -10.4245 -10.4221 -4.2659 -4.2654 -3.9166 -3.9140 0.7850 0.9165 0.9978 1.1248 1.4708 1.6961 2.1478 2.2332 2.3490 2.4843 3.2759 3.3143 4.2943 4.3367 4.8205 4.8256 5.2584 5.2680 7.3930 7.4124 8.5421 8.7375 9.6131 9.7807 10.3040 10.6580 k = 0.0854 0.5000-0.0000 ( 3288 PWs) bands (ev): -12.5486 -12.5428 -11.9263 -11.9207 -10.4221 -10.4193 -4.2760 -4.2756 -3.9351 -3.9321 0.7536 0.9072 0.9525 1.0937 1.4572 1.6658 2.2093 2.2857 2.4171 2.5531 3.2250 3.2549 4.3327 4.3753 4.8240 4.8300 5.2497 5.2607 7.3528 7.3762 8.5157 8.7312 9.6279 9.8100 10.2667 10.6595 k = 0.0976 0.5000-0.0000 ( 3284 PWs) bands (ev): -12.5441 -12.5376 -11.9211 -11.9147 -10.4193 -10.4162 -4.2875 -4.2872 -3.9562 -3.9526 0.7212 0.8960 0.9074 1.0615 1.4476 1.6356 2.2705 2.3434 2.4885 2.6227 3.1769 3.1921 4.3714 4.4132 4.8281 4.8348 5.2398 5.2522 7.3073 7.3350 8.4892 8.7203 9.6477 9.8391 10.2320 10.6589 k = 0.1098 0.5000-0.0000 ( 3284 PWs) bands (ev): -12.5391 -12.5319 -11.9152 -11.9081 -10.4161 -10.4127 -4.3005 -4.3003 -3.9797 -3.9756 0.6883 0.8633 0.8829 1.0293 1.4415 1.6071 2.3248 2.4073 2.5626 2.6927 3.1269 3.1347 4.4094 4.4498 4.8328 4.8402 5.2289 5.2426 7.2568 7.2890 8.4626 8.7050 9.6722 9.8677 10.2005 10.6579 k = 0.1220 0.5000-0.0000 ( 3292 PWs) bands (ev): -12.5335 -12.5256 -11.9086 -11.9009 -10.4127 -10.4089 -4.3149 -4.3148 -4.0055 -4.0009 0.6556 0.8207 0.8685 0.9977 1.4381 1.5808 2.3670 2.4776 2.6384 2.7625 3.0605 3.1019 4.4462 4.4846 4.8379 4.8460 5.2170 5.2318 7.2018 7.2385 8.4361 8.6857 9.7007 9.8950 10.1726 10.6580 k = 0.1341 0.5000-0.0000 ( 3292 PWs) bands (ev): -12.5274 -12.5188 -11.9015 -11.8932 -10.4088 -10.4048 -4.3306 -4.3305 -4.0334 -4.0282 0.6237 0.7800 0.8529 0.9674 1.4372 1.5570 2.3935 2.5525 2.7148 2.8308 2.9954 3.0827 4.4812 4.5174 4.8434 4.8522 5.2041 5.2200 7.1427 7.1840 8.4097 8.6627 9.7326 9.9207 10.1489 10.6608 k = 0.1463 0.5000-0.0000 ( 3300 PWs) bands (ev): -12.5208 -12.5116 -11.8937 -11.8848 -10.4047 -10.4004 -4.3478 -4.3474 -4.0633 -4.0576 0.5931 0.7418 0.8368 0.9387 1.4381 1.5358 2.4023 2.6300 2.7880 2.8854 2.9472 3.0806 4.5141 4.5480 4.8493 4.8587 5.1903 5.2071 7.0799 7.1258 8.3834 8.6364 9.7669 9.9441 10.1300 10.6674 k = 0.1585 0.5000-0.0000 ( 3300 PWs) bands (ev): -12.5137 -12.5040 -11.8854 -11.8760 -10.4004 -10.3958 -4.3662 -4.3655 -4.0950 -4.0886 0.5640 0.7061 0.8205 0.9118 1.4405 1.5169 2.3926 2.7089 2.8163 2.8982 2.9854 3.0966 4.5449 4.5763 4.8555 4.8653 5.1757 5.1934 7.0139 7.0643 8.3572 8.6073 9.8025 9.9650 10.1166 10.6787 k = 0.1707 0.5000-0.0000 ( 3292 PWs) bands (ev): -12.5062 -12.4960 -11.8766 -11.8667 -10.3957 -10.3909 -4.3856 -4.3846 -4.1282 -4.1213 0.5368 0.6732 0.8044 0.8870 1.4440 1.5003 2.3667 2.7619 2.7883 2.9650 3.0518 3.1290 4.5733 4.6023 4.8618 4.8721 5.1604 5.1787 6.9453 6.9999 8.3312 8.5759 9.8378 9.9831 10.1098 10.6951 k = 0.1829 0.5000-0.0000 ( 3296 PWs) bands (ev): -12.4982 -12.4876 -11.8673 -11.8570 -10.3909 -10.3859 -4.4061 -4.4047 -4.1629 -4.1554 0.5119 0.6433 0.7889 0.8642 1.4483 1.4855 2.3280 2.6946 2.8676 3.0419 3.1203 3.1743 4.5994 4.6259 4.8682 4.8789 5.1444 5.1633 6.8744 6.9330 8.3054 8.5427 9.8706 9.9984 10.1111 10.7168 k = 0.1951 0.5000-0.0000 ( 3300 PWs) bands (ev): -12.4900 -12.4790 -11.8577 -11.8469 -10.3858 -10.3806 -4.4276 -4.4258 -4.1987 -4.1907 0.4892 0.6163 0.7744 0.8436 1.4532 1.4724 2.2803 2.6254 2.9465 3.1196 3.1889 3.2289 4.6233 4.6475 4.8744 4.8854 5.1279 5.1472 6.8018 6.8640 8.2799 8.5080 9.8988 10.0111 10.1224 10.7436 k = 0.2073 0.5000-0.0000 ( 3298 PWs) bands (ev): -12.4814 -12.4701 -11.8476 -11.8366 -10.3806 -10.3753 -4.4499 -4.4476 -4.2355 -4.2270 0.4691 0.5925 0.7612 0.8251 1.4584 1.4606 2.2265 2.5559 3.0246 3.1965 3.2573 3.2897 4.6451 4.6670 4.8805 4.8917 5.1110 5.1305 6.7278 6.7933 8.2547 8.4725 9.9206 10.0216 10.1445 10.7750 k = 0.2195 0.5000-0.0000 ( 3298 PWs) bands (ev): -12.4726 -12.4610 -11.8373 -11.8259 -10.3752 -10.3698 -4.4728 -4.4702 -4.2730 -4.2641 0.4516 0.5716 0.7495 0.8088 1.4498 1.4636 2.1688 2.4868 3.1018 3.2719 3.3255 3.3543 4.6648 4.6845 4.8862 4.8976 5.0939 5.1133 6.6529 6.7213 8.2300 8.4365 9.9362 10.0303 10.1770 10.8103 k = 0.2317 0.5000-0.0000 ( 3306 PWs) bands (ev): -12.4635 -12.4517 -11.8267 -11.8151 -10.3697 -10.3642 -4.4964 -4.4933 -4.3111 -4.3017 0.4369 0.5537 0.7395 0.7948 1.4398 1.4687 2.1089 2.4184 3.1777 3.3450 3.3936 3.4210 4.6826 4.7004 4.8915 4.9030 5.0765 5.0959 6.5774 6.6483 8.2059 8.4004 9.9472 10.0375 10.2175 10.8486 k = 0.2439 0.5000-0.0000 ( 3318 PWs) bands (ev): -12.4543 -12.4424 -11.8158 -11.8042 -10.3642 -10.3586 -4.5204 -4.5168 -4.3495 -4.3397 0.4249 0.5388 0.7312 0.7828 1.4303 1.4734 2.0478 2.3508 3.2523 3.4152 3.4617 3.4887 4.6987 4.7147 4.8963 4.9077 5.0592 5.0782 6.5018 6.5745 8.1826 8.3646 9.9555 10.0437 10.2636 10.8892 k = 0.2561 0.5000-0.0000 ( 3310 PWs) bands (ev): -12.4450 -12.4330 -11.8049 -11.7931 -10.3586 -10.3530 -4.5446 -4.5406 -4.3879 -4.3778 0.4157 0.5268 0.7247 0.7731 1.4212 1.4776 1.9863 2.2843 3.3254 3.4824 3.5296 3.5563 4.7133 4.7276 4.9006 4.9119 5.0420 5.0606 6.4262 6.5004 8.1600 8.3296 9.9625 10.0492 10.3135 10.9312 k = 0.2683 0.5000-0.0000 ( 3306 PWs) bands (ev): -12.4356 -12.4237 -11.7939 -11.7821 -10.3529 -10.3474 -4.5689 -4.5646 -4.4261 -4.4158 0.4093 0.5175 0.7199 0.7654 1.4122 1.4811 1.9252 2.2190 3.3970 3.5466 3.5969 3.6231 4.7265 4.7393 4.9042 4.9153 5.0251 5.0431 6.3511 6.4262 8.1385 8.2955 9.9691 10.0543 10.3656 10.9736 k = 0.2805 0.5000-0.0000 ( 3302 PWs) bands (ev): -12.4263 -12.4144 -11.7828 -11.7711 -10.3473 -10.3418 -4.5932 -4.5885 -4.4639 -4.4534 0.4058 0.5109 0.7169 0.7597 1.4032 1.4837 1.8648 2.1551 3.4669 3.6082 3.6629 3.6884 4.7385 4.7499 4.9073 4.9181 5.0087 5.0259 6.2766 6.3522 8.1179 8.2626 9.9757 10.0592 10.4192 11.0157 k = 0.2927 0.5000-0.0000 ( 3298 PWs) bands (ev): -12.4170 -12.4052 -11.7719 -11.7603 -10.3418 -10.3364 -4.6173 -4.6123 -4.5010 -4.4905 0.4049 0.5068 0.7154 0.7558 1.3942 1.4854 1.8057 2.0926 3.5351 3.6674 3.7269 3.7517 4.7494 4.7596 4.9098 4.9203 4.9929 5.0092 6.2031 6.2786 8.0986 8.2312 9.9827 10.0641 10.4734 11.0566 k = 0.3049 0.5000-0.0000 ( 3302 PWs) bands (ev): -12.4078 -12.3963 -11.7610 -11.7497 -10.3363 -10.3310 -4.6411 -4.6358 -4.5374 -4.5268 0.4068 0.5052 0.7155 0.7537 1.3851 1.4859 1.7481 2.0316 3.6015 3.7245 3.7885 3.8124 4.7594 4.7686 4.9117 4.9218 4.9779 4.9931 6.1307 6.2057 8.0805 8.2014 9.9901 10.0689 10.5278 11.0955 k = 0.3171 0.5000-0.0000 ( 3308 PWs) bands (ev): -12.3987 -12.3875 -11.7503 -11.7393 -10.3310 -10.3258 -4.6643 -4.6589 -4.5727 -4.5622 0.4112 0.5058 0.7168 0.7530 1.3759 1.4852 1.6924 1.9723 3.6660 3.7795 3.8472 3.8703 4.7687 4.7770 4.9131 4.9228 4.9638 4.9779 6.0597 6.1337 8.0637 8.1733 9.9980 10.0738 10.5819 11.1317 k = 0.3293 0.5000-0.0000 ( 3312 PWs) bands (ev): -12.3899 -12.3791 -11.7399 -11.7292 -10.3258 -10.3208 -4.6869 -4.6814 -4.6067 -4.5964 0.4182 0.5087 0.7191 0.7537 1.3666 1.4832 1.6389 1.9147 3.7285 3.8325 3.9027 3.9248 4.7773 4.7849 4.9137 4.9231 4.9511 4.9638 5.9903 6.0628 8.0482 8.1471 10.0062 10.0787 10.6353 11.1646 k = 0.3415 0.5000-0.0000 ( 3308 PWs) bands (ev): -12.3814 -12.3710 -11.7298 -11.7195 -10.3208 -10.3160 -4.7087 -4.7031 -4.6392 -4.6291 0.4275 0.5136 0.7223 0.7553 1.3575 1.4799 1.5880 1.8590 3.7890 3.8835 3.9546 3.9757 4.7855 4.7925 4.9133 4.9228 4.9401 4.9510 5.9227 5.9933 8.0341 8.1228 10.0149 10.0836 10.6877 11.1936 k = 0.3537 0.5000-0.0000 ( 3312 PWs) bands (ev): -12.3732 -12.3633 -11.7202 -11.7103 -10.3160 -10.3114 -4.7295 -4.7239 -4.6701 -4.6604 0.4390 0.5205 0.7260 0.7577 1.3485 1.4751 1.5400 1.8051 3.8472 3.9325 4.0026 4.0228 4.7934 4.8000 4.9113 4.9214 4.9317 4.9401 5.8572 5.9253 8.0214 8.1004 10.0238 10.0885 10.7389 11.2182 k = 0.3659 0.5000-0.0000 ( 3304 PWs) bands (ev): -12.3654 -12.3560 -11.7109 -11.7016 -10.3114 -10.3071 -4.7491 -4.7437 -4.6991 -4.6898 0.4526 0.5291 0.7299 0.7603 1.3399 1.4690 1.4953 1.7532 3.9031 3.9793 4.0467 4.0657 4.8012 4.8075 4.9069 4.9178 4.9265 4.9324 5.7940 5.8593 8.0101 8.0800 10.0329 10.0934 10.7886 11.2383 k = 0.3780 0.5000-0.0000 ( 3300 PWs) bands (ev): -12.3580 -12.3493 -11.7022 -11.6935 -10.3072 -10.3032 -4.7675 -4.7623 -4.7261 -4.7174 0.4681 0.5394 0.7335 0.7627 1.3321 1.4544 1.4615 1.7033 3.9565 4.0239 4.0866 4.1044 4.8091 4.8151 4.9012 4.9118 4.9238 4.9282 5.7335 5.7954 8.0001 8.0615 10.0421 10.0980 10.8364 11.2535 k = 0.3902 0.5000-0.0000 ( 3308 PWs) bands (ev): -12.3511 -12.3431 -11.6940 -11.6860 -10.3032 -10.2995 -4.7846 -4.7796 -4.7511 -4.7429 0.4853 0.5511 0.7366 0.7645 1.3252 1.4178 1.4528 1.6556 4.0070 4.0659 4.1224 4.1387 4.8170 4.8230 4.8955 4.9052 4.9221 4.9257 5.6759 5.7341 7.9915 8.0449 10.0513 10.1024 10.8823 11.2640 k = 0.4024 0.5000-0.0000 ( 3312 PWs) bands (ev): -12.3447 -12.3375 -11.6865 -11.6793 -10.2995 -10.2962 -4.8001 -4.7955 -4.7737 -4.7662 0.5041 0.5642 0.7385 0.7650 1.3195 1.3861 1.4428 1.6101 4.0544 4.1051 4.1538 4.1687 4.8250 4.8310 4.8908 4.8994 4.9206 4.9237 5.6217 5.6757 7.9841 8.0301 10.0603 10.1063 10.9260 11.2700 k = 0.4146 0.5000-0.0000 ( 3304 PWs) bands (ev): -12.3389 -12.3325 -11.6797 -11.6732 -10.2962 -10.2932 -4.8140 -4.8098 -4.7938 -4.7872 0.5241 0.5783 0.7391 0.7638 1.3154 1.3598 1.4319 1.5670 4.0983 4.1413 4.1811 4.1944 4.8333 4.8393 4.8873 4.8949 4.9188 4.9216 5.5715 5.6207 7.9780 8.0170 10.0691 10.1098 10.9674 11.2716 k = 0.4268 0.5000-0.0000 ( 3304 PWs) bands (ev): -12.3338 -12.3281 -11.6736 -11.6679 -10.2932 -10.2906 -4.8262 -4.8225 -4.8115 -4.8056 0.5453 0.5933 0.7379 0.7601 1.3131 1.3395 1.4200 1.5263 4.1381 4.1739 4.2043 4.2160 4.8417 4.8477 4.8853 4.8917 4.9166 4.9191 5.5258 5.5697 7.9731 8.0056 10.0774 10.1127 11.0063 11.2691 k = 0.4390 0.5000-0.0000 ( 3316 PWs) bands (ev): -12.3293 -12.3245 -11.6683 -11.6635 -10.2907 -10.2885 -4.8367 -4.8335 -4.8266 -4.8216 0.5673 0.6090 0.7346 0.7537 1.3122 1.3261 1.4075 1.4883 4.1735 4.2026 4.2236 4.2336 4.8501 4.8560 4.8846 4.8899 4.9139 4.9163 5.4854 5.5234 7.9694 7.9958 10.0852 10.1149 11.0427 11.2630 k = 0.4512 0.5000-0.0000 ( 3316 PWs) bands (ev): -12.3254 -12.3216 -11.6638 -11.6599 -10.2885 -10.2867 -4.8452 -4.8426 -4.8389 -4.8348 0.5898 0.6251 0.7292 0.7443 1.3120 1.3208 1.3947 1.4531 4.2038 4.2267 4.2391 4.2475 4.8585 4.8640 4.8852 4.8891 4.9105 4.9130 5.4512 5.4826 7.9669 7.9875 10.0923 10.1162 11.0766 11.2535 k = 0.4634 0.5000-0.0000 ( 3316 PWs) bands (ev): -12.3223 -12.3194 -11.6601 -11.6572 -10.2867 -10.2854 -4.8518 -4.8499 -4.8484 -4.8453 0.6126 0.6413 0.7216 0.7317 1.3130 1.3229 1.3817 1.4211 4.2285 4.2458 4.2510 4.2579 4.8667 4.8715 4.8868 4.8891 4.9064 4.9092 5.4241 5.4484 7.9654 7.9807 10.0986 10.1167 11.1079 11.2409 k = 0.4756 0.5000-0.0000 ( 3312 PWs) bands (ev): -12.3199 -12.3180 -11.6573 -11.6554 -10.2854 -10.2845 -4.8565 -4.8552 -4.8551 -4.8530 0.6353 0.6572 0.7118 0.7164 1.3186 1.3288 1.3689 1.3925 4.2471 4.2590 4.2599 4.2651 4.8746 4.8782 4.8890 4.8893 4.9017 4.9050 5.4050 5.4216 7.9651 7.9751 10.1041 10.1162 11.1365 11.2253 k = 0.4878 0.5000-0.0000 ( 3312 PWs) bands (ev): -12.3183 -12.3173 -11.6555 -11.6545 -10.2845 -10.2841 -4.8592 -4.8589 -4.8586 -4.8578 0.6575 0.6726 0.6984 0.7005 1.3292 1.3372 1.3563 1.3679 4.2591 4.2640 4.2675 4.2692 4.8818 4.8836 4.8891 4.8913 4.8967 4.9006 5.3949 5.4034 7.9658 7.9708 10.1087 10.1147 11.1626 11.2071 k = 0.5000 0.5000-0.0000 ( 3312 PWs) bands (ev): -12.3174 -12.3174 -11.6545 -11.6545 -10.2841 -10.2841 -4.8600 -4.8600 -4.8597 -4.8597 0.6787 0.6787 0.6871 0.6871 1.3433 1.3433 1.3490 1.3490 4.2645 4.2645 4.2703 4.2703 4.8865 4.8865 4.8896 4.8896 4.8965 4.8965 5.3944 5.3944 7.9678 7.9678 10.1122 10.1122 11.1862 11.1862 k = 0.5000 0.5000-0.0000 ( 3312 PWs) bands (ev): -12.3174 -12.3174 -11.6545 -11.6545 -10.2841 -10.2841 -4.8600 -4.8600 -4.8597 -4.8597 0.6787 0.6787 0.6871 0.6871 1.3433 1.3433 1.3490 1.3490 4.2645 4.2645 4.2703 4.2703 4.8865 4.8865 4.8896 4.8896 4.8965 4.8965 5.3944 5.3944 7.9678 7.9678 10.1122 10.1122 11.1862 11.1862 k = 0.4912 0.4912-0.0000 ( 3312 PWs) bands (ev): -12.3183 -12.3173 -11.6555 -11.6545 -10.2845 -10.2841 -4.8598 -4.8597 -4.8576 -4.8571 0.6570 0.6722 0.6989 0.7007 1.3295 1.3355 1.3593 1.3667 4.2580 4.2643 4.2683 4.2689 4.8825 4.8835 4.8876 4.8913 4.8970 4.9012 5.3950 5.4036 7.9658 7.9709 10.1086 10.1148 11.1622 11.2074 k = 0.4825 0.4825-0.0000 ( 3312 PWs) bands (ev): -12.3200 -12.3180 -11.6574 -11.6554 -10.2855 -10.2845 -4.8592 -4.8592 -4.8507 -4.8499 0.6336 0.6555 0.7136 0.7180 1.3173 1.3265 1.3771 1.3884 4.2414 4.2555 4.2652 4.2677 4.8771 4.8781 4.8832 4.8867 4.9045 4.9082 5.4053 5.4223 7.9651 7.9752 10.1040 10.1162 11.1355 11.2260 k = 0.4737 0.4737-0.0000 ( 3320 PWs) bands (ev): -12.3226 -12.3196 -11.6602 -11.6572 -10.2868 -10.2855 -4.8584 -4.8583 -4.8392 -4.8380 0.6085 0.6367 0.7262 0.7362 1.3069 1.3217 1.3970 1.4138 4.2153 4.2363 4.2629 4.2663 4.8710 4.8713 4.8764 4.8811 4.9138 4.9169 5.4242 5.4492 7.9657 7.9808 10.0984 10.1166 11.1059 11.2417 k = 0.4649 0.4649-0.0000 ( 3324 PWs) bands (ev): -12.3260 -12.3221 -11.6637 -11.6598 -10.2887 -10.2868 -4.8572 -4.8571 -4.8230 -4.8215 0.5817 0.6155 0.7391 0.7542 1.2981 1.3209 1.4190 1.4425 4.1804 4.2087 4.2601 4.2644 4.8619 4.8636 4.8699 4.8759 4.9245 4.9273 5.4505 5.4829 7.9676 7.9876 10.0920 10.1160 11.0732 11.2545 k = 0.4561 0.4561-0.0000 ( 3318 PWs) bands (ev): -12.3304 -12.3256 -11.6678 -11.6630 -10.2909 -10.2887 -4.8557 -4.8555 -4.8023 -4.8004 0.5535 0.5921 0.7526 0.7723 1.2909 1.3237 1.4431 1.4740 4.1375 4.1734 4.2566 4.2618 4.8514 4.8536 4.8646 4.8712 4.9368 4.9394 5.4826 5.5221 7.9710 7.9958 10.0849 10.1143 11.0374 11.2641 k = 0.4474 0.4474-0.0000 ( 3306 PWs) bands (ev): -12.3359 -12.3302 -11.6724 -11.6667 -10.2936 -10.2910 -4.8538 -4.8536 -4.7771 -4.7749 0.5241 0.5666 0.7671 0.7910 1.2852 1.3297 1.4693 1.5079 4.0874 4.1311 4.2524 4.2587 4.8402 4.8427 4.8597 4.8667 4.9505 4.9530 5.5195 5.5654 7.9759 8.0054 10.0772 10.1118 10.9981 11.2700 k = 0.4386 0.4386-0.0000 ( 3310 PWs) bands (ev): -12.3426 -12.3360 -11.6772 -11.6707 -10.2968 -10.2937 -4.8518 -4.8515 -4.7476 -4.7451 0.4938 0.5392 0.7828 0.8106 1.2809 1.3384 1.4975 1.5440 4.0307 4.0827 4.2475 4.2549 4.8288 4.8315 4.8547 4.8620 4.9658 4.9683 5.5600 5.6120 7.9825 8.0165 10.0690 10.1084 10.9551 11.2716 k = 0.4298 0.4298-0.0000 ( 3314 PWs) bands (ev): -12.3505 -12.3432 -11.6821 -11.6748 -10.3003 -10.2968 -4.8494 -4.8491 -4.7140 -4.7112 0.4628 0.5104 0.7999 0.8313 1.2781 1.3495 1.5275 1.5818 3.9684 4.0289 4.2419 4.2504 4.8173 4.8200 4.8496 4.8571 4.9825 4.9851 5.6034 5.6610 7.9909 8.0292 10.0605 10.1042 10.9085 11.2685 k = 0.4211 0.4211-0.0000 ( 3318 PWs) bands (ev): -12.3599 -12.3519 -11.6867 -11.6788 -10.3043 -10.3004 -4.8468 -4.8465 -4.6763 -4.6732 0.4314 0.4805 0.8186 0.8534 1.2767 1.3627 1.5593 1.6212 3.9011 3.9703 4.2356 4.2453 4.8057 4.8084 4.8441 4.8520 5.0004 5.0032 5.6491 5.7117 8.0011 8.0436 10.0518 10.0993 10.8580 11.2598 k = 0.4123 0.4123-0.0000 ( 3312 PWs) bands (ev): -12.3709 -12.3622 -11.6908 -11.6823 -10.3087 -10.3044 -4.8440 -4.8436 -4.6348 -4.6315 0.4000 0.4499 0.8388 0.8770 1.2767 1.3777 1.5927 1.6620 3.8296 3.9077 4.2286 4.2396 4.7938 4.7964 4.8383 4.8464 5.0195 5.0226 5.6966 5.7639 8.0135 8.0599 10.0431 10.0938 10.8037 11.2448 k = 0.4035 0.4035-0.0000 ( 3312 PWs) bands (ev): -12.3835 -12.3743 -11.6943 -11.6853 -10.3134 -10.3088 -4.8411 -4.8407 -4.5896 -4.5861 0.3688 0.4190 0.8607 0.9023 1.2781 1.3944 1.6275 1.7039 3.7545 3.8417 4.2209 4.2333 4.7816 4.7840 4.8322 4.8405 5.0394 5.0430 5.7456 5.8170 8.0280 8.0781 10.0345 10.0877 10.7457 11.2228 k = 0.3947 0.3947-0.0000 ( 3304 PWs) bands (ev): -12.3978 -12.3882 -11.6969 -11.6876 -10.3185 -10.3136 -4.8380 -4.8375 -4.5409 -4.5372 0.3379 0.3882 0.8843 0.9292 1.2809 1.4126 1.6637 1.7469 3.6763 3.7729 4.2126 4.2264 4.7687 4.7709 4.8257 4.8341 5.0601 5.0642 5.7959 5.8708 8.0449 8.0982 10.0261 10.0810 10.6840 11.1932 k = 0.3860 0.3860-0.0000 ( 3302 PWs) bands (ev): -12.4139 -12.4040 -11.6983 -11.6888 -10.3240 -10.3187 -4.8348 -4.8343 -4.4890 -4.4852 0.3078 0.3577 0.9096 0.9578 1.2851 1.4323 1.7011 1.7909 3.5955 3.7017 4.2036 4.2190 4.7551 4.7571 4.8187 4.8272 5.0813 5.0860 5.8472 5.9253 8.0641 8.1203 10.0181 10.0736 10.6191 11.1557 k = 0.3772 0.3772-0.0000 ( 3298 PWs) bands (ev): -12.4319 -12.4218 -11.6986 -11.6889 -10.3298 -10.3242 -4.8316 -4.8311 -4.4340 -4.4302 0.2785 0.3278 0.9366 0.9881 1.2906 1.4534 1.7395 1.8358 3.5126 3.6288 4.1939 4.2110 4.7406 4.7422 4.8114 4.8199 5.1028 5.1081 5.8995 5.9801 8.0857 8.1443 10.0106 10.0654 10.5513 11.1105 k = 0.3684 0.3684-0.0000 ( 3304 PWs) bands (ev): -12.4517 -12.4415 -11.6974 -11.6878 -10.3359 -10.3301 -4.8285 -4.8279 -4.3762 -4.3724 0.2503 0.2989 0.9652 1.0202 1.2975 1.4759 1.7789 1.8815 3.4281 3.5546 4.1836 4.2024 4.7250 4.7263 4.8037 4.8122 5.1243 5.1303 5.9526 6.0353 8.1098 8.1702 10.0037 10.0559 10.4812 11.0579 k = 0.3596 0.3596-0.0000 ( 3300 PWs) bands (ev): -12.4733 -12.4631 -11.6949 -11.6853 -10.3424 -10.3362 -4.8253 -4.8247 -4.3159 -4.3120 0.2234 0.2711 0.9955 1.0540 1.3056 1.4998 1.8193 1.9280 3.3424 3.4795 4.1728 4.1934 4.7082 4.7091 4.7955 4.8040 5.1456 5.1523 6.0064 6.0908 8.1363 8.1977 9.9977 10.0445 10.4100 10.9989 k = 0.3509 0.3509-0.0000 ( 3302 PWs) bands (ev): -12.4966 -12.4865 -11.6909 -11.6815 -10.3491 -10.3427 -4.8222 -4.8216 -4.2532 -4.2494 0.1979 0.2446 1.0274 1.0894 1.3149 1.5248 1.8604 1.9752 3.2559 3.4041 4.1614 4.1839 4.6901 4.6906 4.7870 4.7954 5.1665 5.1740 6.0609 6.1465 8.1650 8.2266 9.9926 10.0299 10.3392 10.9343 k = 0.3421 0.3421-0.0000 ( 3298 PWs) bands (ev): -12.5215 -12.5116 -11.6854 -11.6763 -10.3560 -10.3495 -4.8192 -4.8186 -4.1883 -4.1847 0.1740 0.2197 1.0608 1.1266 1.3252 1.5511 1.9023 2.0231 3.1691 3.3288 4.1495 4.1740 4.6706 4.6707 4.7780 4.7863 5.1868 5.1950 6.1161 6.2025 8.1959 8.2566 9.9886 10.0095 10.2718 10.8652 k = 0.3333 0.3333-0.0000 ( 3302 PWs) bands (ev): -12.5479 -12.5382 -11.6785 -11.6697 -10.3633 -10.3565 -4.8164 -4.8158 -4.1216 -4.1182 0.1519 0.1965 1.0957 1.1653 1.3365 1.5783 1.9449 2.0718 3.0825 3.2543 4.1371 4.1638 4.6493 4.6497 4.7686 4.7767 5.2061 5.2152 6.1720 6.2587 8.2286 8.2872 9.9791 9.9861 10.2125 10.7925 k = 0.3246 0.3246-0.0000 ( 3302 PWs) bands (ev): -12.5757 -12.5662 -11.6702 -11.6618 -10.3707 -10.3638 -4.8139 -4.8132 -4.0532 -4.0500 0.1316 0.1751 1.1320 1.2056 1.3484 1.6063 1.9880 2.1211 2.9967 3.1810 4.1242 4.1532 4.6264 4.6274 4.7588 4.7667 5.2245 5.2343 6.2285 6.3152 8.2629 8.3179 9.9341 9.9852 10.1663 10.7174 k = 0.3158 0.3158-0.0000 ( 3302 PWs) bands (ev): -12.6047 -12.5955 -11.6606 -11.6527 -10.3783 -10.3713 -4.8115 -4.8108 -3.9835 -3.9806 0.1133 0.1557 1.1696 1.2473 1.3608 1.6348 2.0317 2.1710 2.9123 3.1096 4.1109 4.1423 4.6021 4.6035 4.7486 4.7563 5.2415 5.2521 6.2856 6.3720 8.2983 8.3478 9.8734 9.9862 10.1349 10.6406 k = 0.3070 0.3070-0.0000 ( 3298 PWs) bands (ev): -12.6346 -12.6258 -11.6498 -11.6423 -10.3861 -10.3790 -4.8094 -4.8087 -3.9125 -3.9100 0.0971 0.1384 1.2082 1.2905 1.3733 1.6632 2.0758 2.2215 2.8302 3.0409 4.0972 4.1312 4.5762 4.5783 4.7380 4.7454 5.2571 5.2684 6.3433 6.4292 8.3341 8.3763 9.8006 9.9895 10.1153 10.5631 k = 0.2982 0.2982-0.0000 ( 3304 PWs) bands (ev): -12.6655 -12.6570 -11.6379 -11.6309 -10.3940 -10.3868 -4.8077 -4.8070 -3.8406 -3.8385 0.0831 0.1233 1.2477 1.3349 1.3857 1.6909 2.1202 2.2725 2.7514 2.9754 4.0832 4.1199 4.5490 4.5516 4.7270 4.7341 5.2711 5.2831 6.4016 6.4867 8.3698 8.4023 9.7205 9.9954 10.1033 10.4857 k = 0.2895 0.2895-0.0000 ( 3304 PWs) bands (ev): -12.6970 -12.6890 -11.6249 -11.6184 -10.4021 -10.3948 -4.8062 -4.8055 -3.7680 -3.7664 0.0713 0.1104 1.2875 1.3806 1.3979 1.7168 2.1648 2.3240 2.6773 2.9142 4.0688 4.1085 4.5204 4.5236 4.7157 4.7224 5.2834 5.2960 6.4604 6.5445 8.4044 8.4249 9.6364 10.0042 10.0965 10.4095 k = 0.2807 0.2807-0.0000 ( 3303 PWs) bands (ev): -12.7291 -12.7214 -11.6110 -11.6050 -10.4103 -10.4030 -4.8052 -4.8045 -3.6949 -3.6938 0.0618 0.0999 1.3264 1.4103 1.4272 1.7395 2.2094 2.3760 2.6099 2.8580 4.0541 4.0969 4.4905 4.4945 4.7039 4.7103 5.2937 5.3069 6.5197 6.6027 8.4368 8.4429 9.5508 10.0160 10.0935 10.3355 k = 0.2719 0.2719-0.0000 ( 3305 PWs) bands (ev): -12.7615 -12.7542 -11.5963 -11.5908 -10.4185 -10.4112 -4.8045 -4.8038 -3.6215 -3.6210 0.0546 0.0917 1.3605 1.4259 1.4746 1.7571 2.2536 2.4284 2.5517 2.8080 4.0392 4.0853 4.4596 4.4642 4.6918 4.6978 5.3020 5.3157 6.5793 6.6611 8.4551 8.4657 9.4655 10.0302 10.0938 10.2653 k = 0.2632 0.2632-0.0000 ( 3305 PWs) bands (ev): -12.7942 -12.7873 -11.5808 -11.5758 -10.4268 -10.4195 -4.8041 -4.8034 -3.5483 -3.5482 0.0497 0.0858 1.3825 1.4514 1.5221 1.7675 2.2967 2.4811 2.5061 2.7651 4.0240 4.0737 4.4275 4.4329 4.6794 4.6850 5.3082 5.3223 6.6392 6.7198 8.4607 8.4893 9.3822 10.0443 10.0972 10.2027 k = 0.2544 0.2544-0.0000 ( 3305 PWs) bands (ev): -12.8270 -12.8204 -11.5647 -11.5602 -10.4351 -10.4279 -4.8042 -4.8035 -3.4757 -3.4749 0.0472 0.0824 1.3897 1.4884 1.5686 1.7691 2.3373 2.4775 2.5339 2.7303 4.0085 4.0621 4.3947 4.4008 4.6666 4.6717 5.3122 5.3267 6.6991 6.7786 8.4585 8.5056 9.3029 10.0471 10.1039 10.1596 k = 0.2456 0.2456-0.0000 ( 3305 PWs) bands (ev): -12.8596 -12.8534 -11.5481 -11.5441 -10.4434 -10.4363 -4.8047 -4.8040 -3.4036 -3.4021 0.0469 0.0812 1.3868 1.5314 1.6107 1.7631 2.3725 2.4706 2.5867 2.7047 3.9929 4.0507 4.3612 4.3680 4.6535 4.6581 5.3140 5.3287 6.7589 6.8373 8.4478 8.5120 9.2301 10.0188 10.1139 10.1565 k = 0.2368 0.2368-0.0000 ( 3309 PWs) bands (ev): -12.8921 -12.8862 -11.5311 -11.5275 -10.4517 -10.4447 -4.8056 -4.8049 -3.3322 -3.3298 0.0489 0.0824 1.3766 1.5772 1.6376 1.7602 2.4006 2.4875 2.6383 2.6900 3.9771 4.0395 4.3271 4.3348 4.6400 4.6441 5.3134 5.3283 6.8183 6.8958 8.4283 8.5057 9.1664 9.9710 10.1274 10.1822 k = 0.2281 0.2281-0.0000 ( 3303 PWs) bands (ev): -12.9243 -12.9187 -11.5137 -11.5106 -10.4599 -10.4530 -4.8068 -4.8061 -3.2615 -3.2583 0.0531 0.0857 1.3598 1.6246 1.6308 1.7800 2.4273 2.5209 2.6726 2.7023 3.9612 4.0285 4.2928 4.3013 4.6262 4.6298 5.3105 5.3256 6.8771 6.9538 8.3997 8.4841 9.1143 9.9204 10.1443 10.2202 k = 0.2193 0.2193-0.0000 ( 3311 PWs) bands (ev): -12.9561 -12.9508 -11.4961 -11.4934 -10.4680 -10.4613 -4.8085 -4.8078 -3.1918 -3.1878 0.0593 0.0912 1.3372 1.5947 1.6731 1.8207 2.4589 2.5620 2.6802 2.7510 3.9451 4.0178 4.2584 4.2677 4.6121 4.6151 5.3053 5.3204 6.9348 7.0111 8.3622 8.4461 9.0751 9.8719 10.1645 10.2650 k = 0.2105 0.2105-0.0000 ( 3299 PWs) bands (ev): -12.9873 -12.9823 -11.4783 -11.4760 -10.4761 -10.4695 -4.8104 -4.8098 -3.1233 -3.1185 0.0675 0.0988 1.3092 1.5445 1.7224 1.8699 2.4967 2.6065 2.6932 2.8035 3.9289 4.0075 4.2241 4.2342 4.5977 4.6001 5.2977 5.3129 6.9910 7.0673 8.3162 8.3926 9.0484 9.8271 10.1874 10.3148 k = 0.2018 0.2018-0.0000 ( 3295 PWs) bands (ev): -13.0178 -13.0132 -11.4605 -11.4585 -10.4840 -10.4776 -4.8127 -4.8121 -3.0562 -3.0505 0.0775 0.1082 1.2766 1.4874 1.7724 1.9225 2.5398 2.6529 2.7144 2.8563 3.9126 3.9976 4.1903 4.2011 4.5829 4.5848 5.2879 5.3030 7.0454 7.1221 8.2625 8.3261 9.0324 9.7865 10.2118 10.3470 k = 0.1930 0.1930-0.0000 ( 3295 PWs) bands (ev): -13.0477 -13.0434 -11.4427 -11.4411 -10.4918 -10.4856 -4.8154 -4.8147 -2.9905 -2.9839 0.0892 0.1194 1.2403 1.4268 1.8228 1.9767 2.5865 2.7010 2.7433 2.9088 3.8964 3.9884 4.1571 4.1687 4.5678 4.5691 5.2758 5.2909 7.0974 7.1749 8.2017 8.2496 9.0249 9.7505 10.2364 10.2887 k = 0.1842 0.1842-0.0000 ( 3295 PWs) bands (ev): -13.0768 -13.0727 -11.4250 -11.4237 -10.4994 -10.4934 -4.8183 -4.8177 -2.9266 -2.9191 0.1023 0.1321 1.2011 1.3648 1.8735 2.0317 2.6349 2.7508 2.7789 2.9608 3.8801 3.9797 4.1249 4.1372 4.5524 4.5531 5.2617 5.2766 7.1466 7.2254 8.1348 8.1660 9.0242 9.7192 10.2329 10.2587 k = 0.1754 0.1754-0.0000 ( 3295 PWs) bands (ev): -13.1049 -13.1011 -11.4074 -11.4064 -10.5068 -10.5010 -4.8215 -4.8209 -2.8644 -2.8562 0.1167 0.1461 1.1601 1.3027 1.9245 2.0871 2.6835 2.8027 2.8204 3.0121 3.8641 3.9719 4.0939 4.1070 4.5366 4.5367 5.2455 5.2603 7.1923 7.2729 8.0629 8.0775 9.0293 9.6928 10.1799 10.2763 k = 0.1667 0.1667-0.0000 ( 3291 PWs) bands (ev): -13.1321 -13.1286 -11.3902 -11.3895 -10.5139 -10.5085 -4.8248 -4.8242 -2.8042 -2.7952 0.1321 0.1613 1.1180 1.2414 1.9755 2.1425 2.7307 2.8572 2.8666 3.0625 3.8483 3.9649 4.0646 4.0783 4.5199 4.5205 5.2274 5.2421 7.2342 7.3170 7.9858 7.9867 9.0398 9.6716 10.1301 10.2866 k = 0.1579 0.1579-0.0000 ( 3295 PWs) bands (ev): -13.1583 -13.1550 -11.3733 -11.3728 -10.5209 -10.5156 -4.8284 -4.8278 -2.7461 -2.7364 0.1482 0.1772 1.0757 1.1818 2.0264 2.1976 2.7755 2.9140 2.9165 3.1117 3.8331 3.9588 4.0371 4.0516 4.5028 4.5039 5.2077 5.2222 7.2717 7.3568 7.8921 7.9074 9.0557 9.6556 10.0835 10.2882 k = 0.1491 0.1491-0.0000 ( 3295 PWs) bands (ev): -13.1834 -13.1803 -11.3568 -11.3566 -10.5275 -10.5226 -4.8320 -4.8315 -2.6902 -2.6798 0.1648 0.1937 1.0339 1.1243 2.0771 2.2522 2.8173 2.9689 2.9730 3.1594 3.8188 3.9539 4.0118 4.0273 4.4852 4.4870 5.1865 5.2008 7.3046 7.3917 7.7976 7.8261 9.0772 9.6453 10.0403 10.2812 k = 0.1404 0.1404-0.0000 ( 3291 PWs) bands (ev): -13.2073 -13.2044 -11.3408 -11.3408 -10.5339 -10.5293 -4.8357 -4.8352 -2.6366 -2.6257 0.1815 0.2104 0.9933 1.0694 2.1274 2.3060 2.8560 3.0228 3.0331 3.2054 3.8061 3.9500 3.9890 4.0061 4.4673 4.4697 5.1640 5.1782 7.3326 7.4204 7.7029 7.7443 9.1044 9.6406 10.0006 10.2669 k = 0.1316 0.1316-0.0000 ( 3289 PWs) bands (ev): -13.2300 -13.2274 -11.3256 -11.3255 -10.5400 -10.5357 -4.8395 -4.8390 -2.5855 -2.5742 0.1980 0.2270 0.9544 1.0177 2.1772 2.3587 2.8916 3.0765 3.0933 3.2491 3.7955 3.9473 3.9691 3.9886 4.4488 4.4520 5.1406 5.1546 7.3556 7.4407 7.6091 7.6648 9.1375 9.6416 9.9646 10.2468 k = 0.1228 0.1228-0.0000 ( 3293 PWs) bands (ev): -13.2515 -13.2490 -11.3110 -11.3107 -10.5458 -10.5417 -4.8433 -4.8429 -2.5370 -2.5254 0.2138 0.2429 0.9178 0.9696 2.2262 2.4100 2.9241 3.1287 3.1524 3.2903 3.7883 3.9454 3.9524 3.9757 4.4299 4.4338 5.1165 5.1303 7.3725 7.4455 7.5178 7.5952 9.1763 9.6482 9.9323 10.2225 k = 0.1140 0.1140-0.0000 ( 3297 PWs) bands (ev): -13.2716 -13.2694 -11.2971 -11.2967 -10.5512 -10.5475 -4.8471 -4.8466 -2.4912 -2.4794 0.2287 0.2579 0.8840 0.9254 2.2744 2.4594 2.9536 3.1774 3.2092 3.3285 3.7855 3.9391 3.9442 3.9686 4.4105 4.4152 5.0920 5.1056 7.3756 7.4173 7.4378 7.5535 9.2206 9.6600 9.9041 10.1949 k = 0.1053 0.1053-0.0000 ( 3301 PWs) bands (ev): -13.2905 -13.2884 -11.2839 -11.2834 -10.5563 -10.5529 -4.8507 -4.8503 -2.4482 -2.4363 0.2422 0.2714 0.8533 0.8855 2.3216 2.5067 2.9802 3.2205 3.2623 3.3635 3.7886 3.9298 3.9440 3.9676 4.3905 4.3960 5.0675 5.0808 7.3202 7.3546 7.4148 7.5422 9.2699 9.6761 9.8801 10.1651 k = 0.0965 0.0965-0.0000 ( 3309 PWs) bands (ev): -13.3079 -13.3061 -11.2715 -11.2710 -10.5611 -10.5579 -4.8543 -4.8539 -2.4080 -2.3963 0.2540 0.2831 0.8262 0.8502 2.3675 2.5514 3.0042 3.2559 3.3105 3.3950 3.7988 3.9249 3.9466 3.9718 4.3699 4.3764 5.0433 5.0562 7.2376 7.2787 7.4187 7.5411 9.3234 9.6954 9.8610 10.1337 k = 0.0877 0.0877-0.0000 ( 3305 PWs) bands (ev): -13.3239 -13.3223 -11.2601 -11.2594 -10.5654 -10.5625 -4.8576 -4.8573 -2.3708 -2.3595 0.2640 0.2925 0.8028 0.8198 2.4120 2.5930 3.0257 3.2819 3.3528 3.4230 3.8163 3.9249 3.9530 3.9802 4.3487 4.3563 5.0198 5.0323 7.1552 7.2001 7.4236 7.5406 9.3803 9.7158 9.8479 10.1014 k = 0.0789 0.0789-0.0000 ( 3303 PWs) bands (ev): -13.3385 -13.3370 -11.2495 -11.2488 -10.5694 -10.5668 -4.8607 -4.8604 -2.3368 -2.3259 0.2718 0.2995 0.7832 0.7944 2.4549 2.6310 3.0452 3.2981 3.3885 3.4472 3.8404 3.9305 3.9633 3.9929 4.3269 4.3357 4.9974 5.0092 7.0761 7.1226 7.4275 7.5384 9.4397 9.7343 9.8425 10.0686 k = 0.0702 0.0702-0.0000 ( 3299 PWs) bands (ev): -13.3516 -13.3503 -11.2399 -11.2392 -10.5729 -10.5706 -4.8636 -4.8634 -2.3059 -2.2957 0.2777 0.3040 0.7674 0.7739 2.4960 2.6647 3.0632 3.3052 3.4176 3.4673 3.8693 3.9423 3.9766 4.0098 4.3044 4.3145 4.9764 4.9874 7.0018 7.0480 7.4305 7.5341 9.5003 9.7476 9.8468 10.0360 k = 0.0614 0.0614-0.0000 ( 3295 PWs) bands (ev): -13.3632 -13.3621 -11.2313 -11.2307 -10.5761 -10.5741 -4.8663 -4.8660 -2.2783 -2.2689 0.2816 0.3060 0.7550 0.7581 2.5350 2.6935 3.0801 3.3050 3.4405 3.4831 3.8997 3.9612 3.9917 4.0304 4.2812 4.2930 4.9571 4.9673 6.9333 6.9777 7.4331 7.5277 9.5610 9.7550 9.8601 10.0041 k = 0.0526 0.0526-0.0000 ( 3305 PWs) bands (ev): -13.3733 -13.3724 -11.2237 -11.2232 -10.5788 -10.5771 -4.8687 -4.8685 -2.2540 -2.2456 0.2840 0.3058 0.7458 0.7465 2.5719 2.7168 3.0966 3.2990 3.4582 3.4945 3.9290 3.9870 4.0083 4.0533 4.2574 4.2710 4.9399 4.9489 6.8716 6.9128 7.4355 7.5199 9.6206 9.7591 9.8779 9.9732 k = 0.0439 0.0439-0.0000 ( 3305 PWs) bands (ev): -13.3819 -13.3811 -11.2173 -11.2168 -10.5811 -10.5797 -4.8707 -4.8705 -2.2332 -2.2260 0.2853 0.3041 0.7384 0.7392 2.6062 2.7342 3.1133 3.2888 3.4715 3.5021 3.9565 4.0175 4.0259 4.0763 4.2330 4.2488 4.9250 4.9328 6.8177 6.8545 7.4383 7.5109 9.6774 9.7629 9.8956 9.9439 k = 0.0351 0.0351-0.0000 ( 3303 PWs) bands (ev): -13.3889 -13.3883 -11.2120 -11.2115 -10.5829 -10.5818 -4.8724 -4.8723 -2.2159 -2.2099 0.2858 0.3012 0.7331 0.7346 2.6377 2.7453 3.1305 3.2754 3.4816 3.5065 3.9834 4.0445 4.0488 4.0972 4.2082 4.2263 4.9127 4.9191 6.7728 6.8039 7.4417 7.5013 9.7300 9.7682 9.9098 9.9169 k = 0.0263 0.0263-0.0000 ( 3295 PWs) bands (ev): -13.3944 -13.3939 -11.2078 -11.2074 -10.5844 -10.5835 -4.8737 -4.8736 -2.2022 -2.1976 0.2861 0.2979 0.7300 0.7315 2.6662 2.7501 3.1485 3.2599 3.4894 3.5083 4.0101 4.0637 4.0776 4.1140 4.1834 4.2038 4.9031 4.9081 6.7377 6.7621 7.4460 7.4916 9.7756 9.7758 9.8935 9.9182 k = 0.0175 0.0175-0.0000 ( 3299 PWs) bands (ev): -13.3982 -13.3979 -11.2047 -11.2045 -10.5854 -10.5848 -4.8747 -4.8747 -2.1921 -2.1890 0.2866 0.2946 0.7283 0.7296 2.6912 2.7488 3.1672 3.2427 3.4954 3.5082 4.0368 4.0822 4.1018 4.1246 4.1599 4.1815 4.8965 4.8998 6.7133 6.7301 7.4512 7.4820 9.7854 9.8099 9.8777 9.9192 k = 0.0088 0.0088-0.0000 ( 3309 PWs) bands (ev): -13.4005 -13.4004 -11.2029 -11.2028 -10.5859 -10.5856 -4.8753 -4.8753 -2.1858 -2.1842 0.2876 0.2916 0.7277 0.7284 2.7125 2.7417 3.1863 3.2244 3.5002 3.5066 4.0627 4.0946 4.1198 4.1288 4.1426 4.1599 4.8928 4.8945 6.7002 6.7088 7.4575 7.4730 9.7974 9.8200 9.8809 9.9122 k = 0.0000 0.0000 0.0000 ( 3293 PWs) bands (ev): -13.4012 -13.4012 -11.2022 -11.2022 -10.5860 -10.5860 -4.8755 -4.8755 -2.1830 -2.1830 0.2892 0.2892 0.7277 0.7277 2.7295 2.7295 3.2055 3.2055 3.5039 3.5039 4.0856 4.0856 4.1308 4.1308 4.1416 4.1416 4.8921 4.8921 6.6987 6.6987 7.4648 7.4648 9.8105 9.8105 9.8979 9.8979 k = 0.0000 0.0000 0.0000 ( 3293 PWs) bands (ev): -13.4012 -13.4012 -11.2022 -11.2022 -10.5860 -10.5860 -4.8755 -4.8755 -2.1830 -2.1830 0.2892 0.2892 0.7277 0.7277 2.7295 2.7295 3.2055 3.2055 3.5039 3.5039 4.0856 4.0856 4.1308 4.1308 4.1416 4.1416 4.8921 4.8921 6.6987 6.6987 7.4648 7.4648 9.8105 9.8105 9.8979 9.8979 k = 0.0000 0.0000 0.0124 ( 3301 PWs) bands (ev): -13.4011 -13.4011 -11.2021 -11.2021 -10.5866 -10.5866 -4.8740 -4.8740 -2.1844 -2.1844 0.2897 0.2897 0.7281 0.7281 2.7306 2.7306 3.2042 3.2042 3.5033 3.5033 4.0850 4.0850 4.1305 4.1305 4.1414 4.1414 4.8915 4.8915 6.6978 6.6978 7.4670 7.4670 9.8055 9.8055 9.9017 9.9017 k = 0.0000 0.0000 0.0248 ( 3301 PWs) bands (ev): -13.4006 -13.4006 -11.2019 -11.2019 -10.5885 -10.5885 -4.8693 -4.8693 -2.1885 -2.1885 0.2909 0.2909 0.7291 0.7291 2.7339 2.7339 3.2005 3.2005 3.5017 3.5017 4.0831 4.0831 4.1295 4.1295 4.1409 4.1409 4.8896 4.8896 6.6952 6.6952 7.4737 7.4737 9.7925 9.7925 9.9117 9.9117 k = 0.0000 0.0000 0.0372 ( 3285 PWs) bands (ev): -13.3998 -13.3998 -11.2014 -11.2014 -10.5916 -10.5916 -4.8615 -4.8615 -2.1953 -2.1953 0.2930 0.2930 0.7308 0.7308 2.7394 2.7394 3.1943 3.1943 3.4990 3.4990 4.0802 4.0802 4.1280 4.1280 4.1400 4.1400 4.8866 4.8866 6.6910 6.6910 7.4848 7.4848 9.7740 9.7740 9.9251 9.9251 k = 0.0000 0.0000 0.0496 ( 3292 PWs) bands (ev): -13.3988 -13.3988 -11.2007 -11.2007 -10.5960 -10.5960 -4.8508 -4.8508 -2.2047 -2.2047 0.2960 0.2960 0.7332 0.7332 2.7469 2.7469 3.1858 3.1858 3.4952 3.4952 4.0761 4.0761 4.1260 4.1260 4.1387 4.1387 4.8822 4.8822 6.6853 6.6853 7.4998 7.4998 9.7517 9.7517 9.9405 9.9405 k = 0.0000 0.0000 0.0620 ( 3288 PWs) bands (ev): -13.3974 -13.3974 -11.1999 -11.1999 -10.6014 -10.6014 -4.8372 -4.8372 -2.2167 -2.2167 0.2997 0.2997 0.7362 0.7362 2.7565 2.7565 3.1752 3.1752 3.4903 3.4903 4.0710 4.0710 4.1235 4.1235 4.1371 4.1371 4.8767 4.8767 6.6784 6.6784 7.5186 7.5186 9.7265 9.7265 9.9571 9.9571 k = 0.0000 0.0000 0.0745 ( 3272 PWs) bands (ev): -13.3958 -13.3958 -11.1989 -11.1989 -10.6080 -10.6080 -4.8208 -4.8208 -2.2311 -2.2311 0.3041 0.3041 0.7398 0.7398 2.7678 2.7678 3.1627 3.1627 3.4843 3.4843 4.0649 4.0649 4.1208 4.1208 4.1352 4.1352 4.8698 4.8698 6.6705 6.6705 7.5408 7.5408 9.6987 9.6987 9.9747 9.9747 k = 0.0000 0.0000 0.0869 ( 3276 PWs) bands (ev): -13.3939 -13.3939 -11.1977 -11.1977 -10.6155 -10.6155 -4.8018 -4.8018 -2.2479 -2.2479 0.3092 0.3092 0.7440 0.7440 2.7807 2.7807 3.1485 3.1485 3.4774 3.4774 4.0579 4.0579 4.1178 4.1178 4.1330 4.1330 4.8617 4.8617 6.6618 6.6618 7.5659 7.5659 9.6689 9.6689 9.9931 9.9931 k = 0.0000 0.0000 0.0993 ( 3292 PWs) bands (ev): -13.3918 -13.3918 -11.1963 -11.1963 -10.6240 -10.6240 -4.7804 -4.7804 -2.2670 -2.2670 0.3150 0.3150 0.7486 0.7486 2.7949 2.7949 3.1330 3.1330 3.4695 3.4695 4.0503 4.0503 4.1147 4.1147 4.1305 4.1305 4.8523 4.8523 6.6526 6.6526 7.5936 7.5936 9.6372 9.6372 10.0123 10.0123 k = 0.0000 0.0000 0.1117 ( 3304 PWs) bands (ev): -13.3895 -13.3895 -11.1948 -11.1948 -10.6332 -10.6332 -4.7567 -4.7567 -2.2880 -2.2880 0.3214 0.3214 0.7538 0.7538 2.8101 2.8101 3.1165 3.1165 3.4607 3.4607 4.0422 4.0422 4.1115 4.1115 4.1279 4.1279 4.8416 4.8416 6.6431 6.6431 7.6233 7.6233 9.6041 9.6041 10.0319 10.0319 k = 0.0000 0.0000 0.1241 ( 3304 PWs) bands (ev): -13.3871 -13.3871 -11.1931 -11.1931 -10.6431 -10.6431 -4.7310 -4.7310 -2.3109 -2.3109 0.3282 0.3282 0.7593 0.7593 2.8259 2.8259 3.0995 3.0995 3.4512 3.4512 4.0337 4.0337 4.1082 4.1082 4.1252 4.1252 4.8297 4.8297 6.6334 6.6334 7.6547 7.6547 9.5700 9.5700 10.0519 10.0519 k = 0.0000 0.0000 0.1365 ( 3300 PWs) bands (ev): -13.3845 -13.3845 -11.1912 -11.1912 -10.6536 -10.6536 -4.7035 -4.7035 -2.3354 -2.3354 0.3355 0.3355 0.7651 0.7651 2.8417 2.8417 3.0827 3.0827 3.4409 3.4409 4.0251 4.0251 4.1049 4.1049 4.1225 4.1225 4.8166 4.8166 6.6239 6.6239 7.6873 7.6873 9.5352 9.5352 10.0721 10.0721 k = 0.0000 0.0000 0.1489 ( 3308 PWs) bands (ev): -13.3818 -13.3818 -11.1892 -11.1892 -10.6645 -10.6645 -4.6745 -4.6745 -2.3612 -2.3612 0.3432 0.3432 0.7712 0.7712 2.8567 2.8567 3.0669 3.0669 3.4301 3.4301 4.0165 4.0165 4.1017 4.1017 4.1198 4.1198 4.8024 4.8024 6.6145 6.6145 7.7206 7.7206 9.5003 9.5003 10.0921 10.0921 k = 0.0000 0.0000 0.1613 ( 3300 PWs) bands (ev): -13.3790 -13.3790 -11.1871 -11.1871 -10.6757 -10.6757 -4.6443 -4.6443 -2.3882 -2.3882 0.3510 0.3510 0.7775 0.7775 2.8697 2.8697 3.0532 3.0532 3.4189 3.4189 4.0082 4.0082 4.0986 4.0986 4.1172 4.1172 4.7871 4.7871 6.6055 6.6055 7.7542 7.7542 9.4656 9.4656 10.1117 10.1117 k = 0.0000 0.0000 0.1737 ( 3300 PWs) bands (ev): -13.3762 -13.3762 -11.1848 -11.1848 -10.6870 -10.6870 -4.6133 -4.6133 -2.4160 -2.4160 0.3590 0.3590 0.7839 0.7839 2.8794 2.8794 3.0431 3.0431 3.4074 3.4074 4.0004 4.0004 4.0957 4.0957 4.1146 4.1146 4.7709 4.7709 6.5970 6.5970 7.7876 7.7876 9.4315 9.4315 10.1306 10.1306 k = 0.0000 0.0000 0.1861 ( 3304 PWs) bands (ev): -13.3734 -13.3734 -11.1825 -11.1825 -10.6984 -10.6984 -4.5818 -4.5818 -2.4443 -2.4443 0.3671 0.3671 0.7902 0.7902 2.8841 2.8841 3.0381 3.0381 3.3958 3.3958 3.9931 3.9931 4.0929 4.0929 4.1122 4.1122 4.7539 4.7539 6.5891 6.5891 7.8205 7.8205 9.3984 9.3984 10.1486 10.1486 k = 0.0000 0.0000 0.1985 ( 3308 PWs) bands (ev): -13.3707 -13.3707 -11.1801 -11.1801 -10.7096 -10.7096 -4.5502 -4.5502 -2.4728 -2.4728 0.3751 0.3751 0.7965 0.7965 2.8831 2.8831 3.0389 3.0389 3.3843 3.3843 3.9867 3.9867 4.0903 4.0903 4.1100 4.1100 4.7364 4.7364 6.5818 6.5818 7.8524 7.8524 9.3668 9.3668 10.1654 10.1654 k = 0.0000 0.0000 0.2110 ( 3308 PWs) bands (ev): -13.3680 -13.3680 -11.1777 -11.1777 -10.7205 -10.7205 -4.5190 -4.5190 -2.5010 -2.5010 0.3829 0.3829 0.8027 0.8027 2.8769 2.8769 3.0451 3.0451 3.3730 3.3730 3.9811 3.9811 4.0879 4.0879 4.1079 4.1079 4.7185 4.7185 6.5751 6.5751 7.8829 7.8829 9.3369 9.3369 10.1809 10.1809 k = 0.0000 0.0000 0.2234 ( 3308 PWs) bands (ev): -13.3655 -13.3655 -11.1753 -11.1753 -10.7310 -10.7310 -4.4885 -4.4885 -2.5286 -2.5286 0.3904 0.3904 0.8085 0.8085 2.8673 2.8673 3.0548 3.0548 3.3621 3.3621 3.9766 3.9766 4.0858 4.0858 4.1060 4.1060 4.7005 4.7005 6.5691 6.5691 7.9117 7.9117 9.3091 9.3091 10.1949 10.1949 k = 0.0000 0.0000 0.2358 ( 3308 PWs) bands (ev): -13.3631 -13.3631 -11.1730 -11.1730 -10.7409 -10.7409 -4.4593 -4.4593 -2.5551 -2.5551 0.3974 0.3974 0.8141 0.8141 2.8558 2.8558 3.0664 3.0664 3.3519 3.3519 3.9731 3.9731 4.0839 4.0839 4.1042 4.1042 4.6828 4.6828 6.5639 6.5639 7.9383 7.9383 9.2837 9.2837 10.2073 10.2073 k = 0.0000 0.0000 0.2482 ( 3284 PWs) bands (ev): -13.3609 -13.3609 -11.1707 -11.1707 -10.7500 -10.7500 -4.4318 -4.4318 -2.5800 -2.5800 0.4040 0.4040 0.8192 0.8192 2.8438 2.8438 3.0786 3.0786 3.3423 3.3423 3.9707 3.9707 4.0823 4.0823 4.1027 4.1027 4.6657 4.6657 6.5593 6.5593 7.9626 7.9626 9.2608 9.2608 10.2180 10.2180 k = 0.0000 0.0000 0.2606 ( 3280 PWs) bands (ev): -13.3589 -13.3589 -11.1686 -11.1686 -10.7583 -10.7583 -4.4066 -4.4066 -2.6029 -2.6029 0.4099 0.4099 0.8238 0.8238 2.8322 2.8322 3.0903 3.0903 3.3337 3.3337 3.9692 3.9692 4.0809 4.0809 4.1013 4.1013 4.6496 4.6496 6.5555 6.5555 7.9841 7.9841 9.2408 9.2408 10.2271 10.2271 k = 0.0000 0.0000 0.2730 ( 3280 PWs) bands (ev): -13.3572 -13.3572 -11.1667 -11.1667 -10.7655 -10.7655 -4.3843 -4.3843 -2.6234 -2.6234 0.4151 0.4151 0.8278 0.8278 2.8216 2.8216 3.1010 3.1010 3.3262 3.3262 3.9684 3.9684 4.0798 4.0798 4.1001 4.1001 4.6350 4.6350 6.5522 6.5522 8.0028 8.0028 9.2236 9.2236 10.2346 10.2346 k = 0.0000 0.0000 0.2854 ( 3288 PWs) bands (ev): -13.3558 -13.3558 -11.1651 -11.1651 -10.7717 -10.7717 -4.3652 -4.3652 -2.6409 -2.6409 0.4195 0.4195 0.8312 0.8312 2.8125 2.8125 3.1102 3.1102 3.3198 3.3198 3.9683 3.9683 4.0789 4.0789 4.0991 4.0991 4.6222 4.6222 6.5497 6.5497 8.0182 8.0182 9.2094 9.2094 10.2405 10.2405 k = 0.0000 0.0000 0.2978 ( 3288 PWs) bands (ev): -13.3546 -13.3546 -11.1638 -11.1638 -10.7765 -10.7765 -4.3498 -4.3498 -2.6550 -2.6550 0.4230 0.4230 0.8339 0.8339 2.8051 2.8051 3.1176 3.1176 3.3148 3.3148 3.9685 3.9685 4.0782 4.0782 4.0984 4.0984 4.6118 4.6118 6.5477 6.5477 8.0304 8.0304 9.1984 9.1984 10.2450 10.2450 k = 0.0000 0.0000 0.3102 ( 3280 PWs) bands (ev): -13.3538 -13.3538 -11.1628 -11.1628 -10.7801 -10.7801 -4.3384 -4.3384 -2.6654 -2.6654 0.4256 0.4256 0.8359 0.8359 2.7996 2.7996 3.1231 3.1231 3.3111 3.3111 3.9688 3.9688 4.0778 4.0778 4.0978 4.0978 4.6040 4.6040 6.5463 6.5463 8.0392 8.0392 9.1905 9.1905 10.2481 10.2481 k = 0.0000 0.0000 0.3226 ( 3264 PWs) bands (ev): -13.3533 -13.3533 -11.1622 -11.1622 -10.7822 -10.7822 -4.3315 -4.3315 -2.6717 -2.6717 0.4271 0.4271 0.8370 0.8370 2.7963 2.7963 3.1264 3.1264 3.3089 3.3089 3.9692 3.9692 4.0775 4.0775 4.0975 4.0975 4.5992 4.5992 6.5455 6.5455 8.0445 8.0445 9.1857 9.1857 10.2500 10.2500 k = 0.0000 0.0000 0.3350 ( 3272 PWs) bands (ev): -13.3531 -13.3531 -11.1620 -11.1620 -10.7830 -10.7830 -4.3292 -4.3292 -2.6738 -2.6738 0.4276 0.4276 0.8374 0.8374 2.7952 2.7952 3.1275 3.1275 3.3081 3.3081 3.9693 3.9693 4.0774 4.0774 4.0973 4.0973 4.5976 4.5976 6.5452 6.5452 8.0463 8.0463 9.1841 9.1841 10.2506 10.2506 k = 0.0000 0.0000 0.3350 ( 3272 PWs) bands (ev): -13.3531 -13.3531 -11.1620 -11.1620 -10.7830 -10.7830 -4.3292 -4.3292 -2.6738 -2.6738 0.4276 0.4276 0.8374 0.8374 2.7952 2.7952 3.1275 3.1275 3.3081 3.3081 3.9693 3.9693 4.0774 4.0774 4.0973 4.0973 4.5976 4.5976 6.5452 6.5452 8.0463 8.0463 9.1841 9.1841 10.2506 10.2506 k = 0.0000 0.0122 0.3350 ( 3268 PWs) bands (ev): -13.3525 -13.3522 -11.1627 -11.1624 -10.7829 -10.7825 -4.3297 -4.3292 -2.6750 -2.6748 0.4269 0.4291 0.8369 0.8386 2.7782 2.8058 3.1232 3.1308 3.3044 3.3100 3.9562 3.9707 4.0728 4.0839 4.0978 4.0987 4.6020 4.6023 6.5403 6.5572 8.0458 8.0497 9.1752 9.1930 10.2234 10.2735 k = 0.0000 0.0244 0.3350 ( 3266 PWs) bands (ev): -13.3504 -13.3499 -11.1645 -11.1639 -10.7824 -10.7814 -4.3309 -4.3300 -2.6784 -2.6778 0.4270 0.4313 0.8370 0.8403 2.7553 2.8096 3.1182 3.1326 3.2990 3.3100 3.9342 3.9577 4.0703 4.0861 4.0981 4.1103 4.6150 4.6157 6.5422 6.5762 8.0483 8.0559 9.1665 9.2016 10.1923 10.2919 k = 0.0000 0.0366 0.3350 ( 3270 PWs) bands (ev): -13.3467 -13.3460 -11.1675 -11.1665 -10.7812 -10.7798 -4.3328 -4.3314 -2.6838 -2.6830 0.4278 0.4343 0.8377 0.8426 2.7271 2.8069 3.1126 3.1325 3.2920 3.3081 3.9043 3.9309 4.0697 4.0840 4.0992 4.1322 4.6351 4.6363 6.5509 6.6021 8.0535 8.0649 9.1579 9.2099 10.1576 10.3062 k = 0.0000 0.0488 0.3350 ( 3274 PWs) bands (ev): -13.3416 -13.3406 -11.1716 -11.1702 -10.7796 -10.7776 -4.3352 -4.3334 -2.6914 -2.6903 0.4292 0.4381 0.8392 0.8456 2.6947 2.7979 3.1064 3.1300 3.2838 3.3045 3.8669 3.8929 4.0699 4.0807 4.1035 4.1599 4.6606 4.6626 6.5661 6.6346 8.0615 8.0763 9.1498 9.2176 10.1201 10.3165 k = 0.0000 0.0610 0.3350 ( 3278 PWs) bands (ev): -13.3350 -13.3338 -11.1768 -11.1751 -10.7773 -10.7749 -4.3382 -4.3360 -2.7011 -2.6998 0.4313 0.4426 0.8414 0.8494 2.6588 2.7830 3.0997 3.1248 3.2747 3.2991 3.8225 3.8465 4.0693 4.0767 4.1135 4.1909 4.6899 4.6928 6.5874 6.6736 8.0721 8.0899 9.1421 9.2242 10.0807 10.3232 k = 0.0000 0.0732 0.3350 ( 3278 PWs) bands (ev): -13.3269 -13.3255 -11.1831 -11.1811 -10.7746 -10.7718 -4.3417 -4.3390 -2.7129 -2.7113 0.4340 0.4479 0.8444 0.8540 2.6204 2.7629 3.0922 3.1167 3.2650 3.2922 3.7723 3.7937 4.0670 4.0722 4.1297 4.2239 4.7218 4.7257 6.6145 6.7185 8.0852 8.1053 9.1352 9.2294 10.0404 10.3271 k = 0.0000 0.0854 0.3350 ( 3276 PWs) bands (ev): -13.3174 -13.3157 -11.1906 -11.1883 -10.7713 -10.7681 -4.3457 -4.3426 -2.7267 -2.7249 0.4373 0.4539 0.8484 0.8595 2.5803 2.7384 3.0839 3.1058 3.2549 3.2837 3.7174 3.7361 4.0632 4.0672 4.1512 4.2581 4.7553 4.7603 6.6470 6.7690 8.1004 8.1221 9.1292 9.2325 10.0006 10.3289 k = 0.0000 0.0976 0.3350 ( 3290 PWs) bands (ev): -13.3064 -13.3045 -11.1992 -11.1966 -10.7676 -10.7639 -4.3501 -4.3466 -2.7427 -2.7407 0.4411 0.4607 0.8535 0.8660 2.5392 2.7100 3.0745 3.0921 3.2443 3.2735 3.6587 3.6748 4.0585 4.0619 4.1766 4.2926 4.7896 4.7958 6.6843 6.8245 8.1176 8.1397 9.1244 9.2328 9.9626 10.3292 k = 0.0000 0.1098 0.3350 ( 3286 PWs) bands (ev): -13.2940 -13.2919 -11.2090 -11.2061 -10.7633 -10.7592 -4.3549 -4.3509 -2.7606 -2.7584 0.4455 0.4680 0.8598 0.8736 2.4977 2.6787 3.0639 3.0760 3.2331 3.2617 3.5972 3.6110 4.0531 4.0561 4.2047 4.3270 4.8243 4.8316 6.7263 6.8844 8.1366 8.1574 9.1211 9.2295 9.9282 10.3288 k = 0.0000 0.1220 0.3350 ( 3298 PWs) bands (ev): -13.2802 -13.2778 -11.2199 -11.2167 -10.7586 -10.7542 -4.3599 -4.3555 -2.7805 -2.7782 0.4503 0.4760 0.8674 0.8825 2.4563 2.6451 3.0521 3.0575 3.2212 3.2482 3.5335 3.5454 4.0472 4.0502 4.2345 4.3609 4.8590 4.8673 6.7723 6.9483 8.1570 8.1747 9.1195 9.2218 9.8986 10.3286 k = 0.0000 0.1341 0.3350 ( 3290 PWs) bands (ev): -13.2651 -13.2624 -11.2320 -11.2284 -10.7535 -10.7486 -4.3649 -4.3603 -2.8023 -2.8000 0.4557 0.4847 0.8764 0.8927 2.4154 2.6098 3.0369 3.0388 3.2085 3.2328 3.4683 3.4789 4.0412 4.0441 4.2654 4.3941 4.8933 4.9024 6.8219 7.0153 8.1788 8.1910 9.1200 9.2090 9.8755 10.3292 k = 0.0000 0.1463 0.3350 ( 3290 PWs) bands (ev): -13.2485 -13.2457 -11.2452 -11.2413 -10.7479 -10.7428 -4.3702 -4.3652 -2.8260 -2.8236 0.4616 0.4939 0.8869 0.9043 2.3754 2.5736 3.0143 3.0240 3.1946 3.2152 3.4021 3.4123 4.0350 4.0380 4.2967 4.4263 4.9270 4.9367 6.8748 7.0849 8.2015 8.2056 9.1228 9.1911 9.8597 10.3313 k = 0.0000 0.1585 0.3350 ( 3294 PWs) bands (ev): -13.2307 -13.2276 -11.2595 -11.2554 -10.7420 -10.7365 -4.3755 -4.3701 -2.8515 -2.8491 0.4680 0.5037 0.8989 0.9174 2.3364 2.5368 2.9899 3.0075 3.1794 3.1948 3.3354 3.3469 4.0289 4.0321 4.3279 4.4574 4.9596 4.9697 6.9305 7.1563 8.2180 8.2250 9.1282 9.1682 9.8517 10.3355 k = 0.0000 0.1707 0.3350 ( 3294 PWs) bands (ev): -13.2115 -13.2083 -11.2750 -11.2706 -10.7356 -10.7299 -4.3806 -4.3749 -2.8787 -2.8764 0.4751 0.5140 0.9125 0.9322 2.2987 2.5000 2.9636 2.9893 3.1623 3.1701 3.2691 3.2845 4.0230 4.0263 4.3587 4.4873 4.9911 5.0014 6.9884 7.2289 8.2281 8.2491 9.1362 9.1412 9.8514 10.3422 k = 0.0000 0.1829 0.3350 ( 3298 PWs) bands (ev): -13.1912 -13.1877 -11.2916 -11.2870 -10.7290 -10.7231 -4.3855 -4.3795 -2.9076 -2.9055 0.4829 0.5249 0.9277 0.9485 2.2623 2.4634 2.9358 2.9691 3.1381 3.1422 3.2048 3.2288 4.0173 4.0209 4.3889 4.5161 5.0211 5.0313 7.0482 7.3016 8.2357 8.2735 9.1116 9.1468 9.8583 10.3517 k = 0.0000 0.1951 0.3350 ( 3302 PWs) bands (ev): -13.1696 -13.1659 -11.3094 -11.3045 -10.7221 -10.7159 -4.3902 -4.3839 -2.9380 -2.9362 0.4915 0.5364 0.9445 0.9666 2.2273 2.4273 2.9063 2.9467 3.0952 3.1115 3.1500 3.1841 4.0121 4.0158 4.4183 4.5437 5.0495 5.0593 7.1092 7.3738 8.2409 8.2980 9.0809 9.1598 9.8715 10.3644 k = 0.0000 0.2073 0.3350 ( 3302 PWs) bands (ev): -13.1468 -13.1429 -11.3282 -11.3231 -10.7149 -10.7086 -4.3944 -4.3878 -2.9700 -2.9685 0.5011 0.5485 0.9629 0.9864 2.1937 2.3919 2.8752 2.9220 3.0429 3.0582 3.1173 3.1492 4.0073 4.0112 4.4468 4.5702 5.0759 5.0852 7.1709 7.4443 8.2440 8.3225 9.0507 9.1750 9.8901 10.3803 k = 0.0000 0.2195 0.3350 ( 3298 PWs) bands (ev): -13.1230 -13.1189 -11.3482 -11.3428 -10.7075 -10.7011 -4.3981 -4.3912 -3.0033 -3.0022 0.5116 0.5611 0.9828 1.0079 2.1614 2.3573 2.8427 2.8942 2.9874 2.9967 3.0927 3.1192 4.0030 4.0072 4.4742 4.5954 5.1004 5.1088 7.2326 7.5121 8.2456 8.3468 9.0229 9.1919 9.9134 10.3994 k = 0.0000 0.2317 0.3350 ( 3290 PWs) bands (ev): -13.0981 -13.0938 -11.3691 -11.3636 -10.7000 -10.6934 -4.4012 -4.3941 -3.0379 -3.0372 0.5232 0.5744 1.0042 1.0311 2.1304 2.3235 2.8084 2.8622 2.9337 2.9351 3.0687 3.0908 3.9993 4.0037 4.5007 4.6196 5.1227 5.1301 7.2935 7.5760 8.2464 8.3708 8.9989 9.2102 9.9406 10.4215 k = 0.0000 0.2439 0.3350 ( 3294 PWs) bands (ev): -13.0722 -13.0677 -11.3911 -11.3854 -10.6923 -10.6857 -4.4037 -4.3963 -3.0736 -3.0734 0.5360 0.5883 1.0269 1.0561 2.1006 2.2906 2.7722 2.8240 2.8755 2.8852 3.0438 3.0627 3.9963 4.0008 4.5262 4.6426 5.1427 5.1489 7.3528 7.6350 8.2474 8.3945 8.9802 9.2295 9.9710 10.4463 k = 0.0000 0.2561 0.3350 ( 3290 PWs) bands (ev): -13.0453 -13.0407 -11.4141 -11.4082 -10.6846 -10.6779 -4.4053 -4.3977 -3.1106 -3.1103 0.5501 0.6029 1.0508 1.0826 2.0719 2.2583 2.7335 2.7796 2.8194 2.8433 3.0178 3.0342 3.9938 3.9985 4.5506 4.6645 5.1604 5.1653 7.4096 7.6877 8.2493 8.4179 8.9681 9.2493 10.0041 10.4735 k = 0.0000 0.2683 0.3350 ( 3298 PWs) bands (ev): -13.0177 -13.0129 -11.4380 -11.4320 -10.6768 -10.6702 -4.4062 -4.3983 -3.1487 -3.1478 0.5656 0.6182 1.0758 1.1108 2.0441 2.2264 2.6916 2.7317 2.7679 2.8057 2.9907 3.0054 3.9920 3.9967 4.5741 4.6854 5.1758 5.1791 7.4630 7.7331 8.2533 8.4412 8.9633 9.2693 10.0395 10.5024 k = 0.0000 0.2805 0.3350 ( 3294 PWs) bands (ev): -12.9892 -12.9843 -11.4627 -11.4566 -10.6690 -10.6624 -4.4061 -4.3980 -3.1875 -3.1860 0.5824 0.6342 1.1018 1.1405 2.0172 2.1948 2.6466 2.6836 2.7218 2.7697 2.9627 2.9760 3.9908 3.9956 4.5967 4.7053 5.1889 5.1904 7.5121 7.7705 8.2602 8.4644 8.9665 9.2893 10.0767 10.5325 k = 0.0000 0.2927 0.3350 ( 3290 PWs) bands (ev): -12.9601 -12.9551 -11.4883 -11.4820 -10.6613 -10.6548 -4.4050 -4.3967 -3.2268 -3.2247 0.6007 0.6508 1.1284 1.1717 1.9912 2.1632 2.5995 2.6371 2.6802 2.7339 2.9338 2.9463 3.9901 3.9949 4.6183 4.7242 5.1993 5.1996 7.5560 7.7996 8.2709 8.4875 8.9777 9.3091 10.1155 10.5630 k = 0.0000 0.3049 0.3350 ( 3290 PWs) bands (ev): -12.9304 -12.9253 -11.5145 -11.5082 -10.6537 -10.6473 -4.4028 -4.3944 -3.2664 -3.2637 0.6205 0.6681 1.1555 1.2042 1.9660 2.1311 2.5524 2.5930 2.6420 2.6977 2.9042 2.9163 3.9900 3.9948 4.6391 4.7420 5.2059 5.2082 7.5941 7.8205 8.2860 8.5106 8.9965 9.3284 10.1554 10.5931 k = 0.0000 0.3171 0.3350 ( 3290 PWs) bands (ev): -12.9003 -12.8951 -11.5413 -11.5349 -10.6462 -10.6400 -4.3997 -4.3912 -3.3061 -3.3029 0.6416 0.6860 1.1828 1.2380 1.9419 2.0981 2.5069 2.5515 2.6061 2.6611 2.8742 2.8863 3.9903 3.9950 4.6590 4.7589 5.2104 5.2147 7.6260 7.8339 8.3056 8.5332 9.0220 9.3473 10.1964 10.6219 k = 0.0000 0.3293 0.3350 ( 3290 PWs) bands (ev): -12.8698 -12.8646 -11.5686 -11.5622 -10.6390 -10.6330 -4.3955 -4.3869 -3.3457 -3.3419 0.6641 0.7046 1.2099 1.2729 1.9190 2.0640 2.4640 2.5128 2.5717 2.6243 2.8441 2.8563 3.9911 3.9957 4.6781 4.7747 5.2128 5.2192 7.6519 7.8409 8.3296 8.5552 9.0532 9.3656 10.2380 10.6486 k = 0.0000 0.3415 0.3350 ( 3292 PWs) bands (ev): -12.8392 -12.8339 -11.5962 -11.5898 -10.6319 -10.6262 -4.3902 -4.3816 -3.3849 -3.3806 0.6878 0.7237 1.2365 1.3088 1.8976 2.0285 2.4244 2.4764 2.5388 2.5875 2.8142 2.8267 3.9922 3.9966 4.6964 4.7895 5.2135 5.2219 7.6722 7.8427 8.3572 8.5762 9.0888 9.3832 10.2800 10.6725 k = 0.0000 0.3537 0.3350 ( 3296 PWs) bands (ev): -12.8086 -12.8033 -11.6240 -11.6176 -10.6252 -10.6198 -4.3840 -4.3753 -3.4236 -3.4188 0.7126 0.7432 1.2622 1.3455 1.8784 1.9914 2.3884 2.4420 2.5071 2.5514 2.7848 2.7976 3.9935 3.9977 4.7140 4.8032 5.2126 5.2229 7.6877 7.8404 8.3876 8.5959 9.1274 9.4001 10.3222 10.6932 k = 0.0000 0.3659 0.3350 ( 3296 PWs) bands (ev): -12.7782 -12.7729 -11.6517 -11.6455 -10.6188 -10.6137 -4.3768 -4.3682 -3.4613 -3.4561 0.7382 0.7630 1.2864 1.3828 1.8618 1.9530 2.3560 2.4088 2.4767 2.5166 2.7563 2.7693 3.9951 3.9991 4.7308 4.8158 5.2104 5.2224 7.6992 7.8351 8.4197 8.6141 9.1676 9.4161 10.3642 10.7106 k = 0.0000 0.3780 0.3350 ( 3292 PWs) bands (ev): -12.7482 -12.7430 -11.6791 -11.6730 -10.6128 -10.6081 -4.3687 -4.3602 -3.4977 -3.4923 0.7644 0.7831 1.3087 1.4203 1.8485 1.9137 2.3270 2.3759 2.4477 2.4840 2.7290 2.7422 3.9968 4.0005 4.7469 4.8272 5.2072 5.2207 7.7077 7.8278 8.4525 8.6305 9.2083 9.4312 10.4059 10.7247 k = 0.0000 0.3902 0.3350 ( 3304 PWs) bands (ev): -12.7189 -12.7139 -11.7061 -11.7002 -10.6072 -10.6028 -4.3600 -4.3517 -3.5327 -3.5271 0.7908 0.8032 1.3287 1.4575 1.8391 1.8740 2.3006 2.3423 2.4206 2.4545 2.7033 2.7164 3.9986 4.0020 4.7622 4.8374 5.2032 5.2179 7.7138 7.8193 8.4849 8.6451 9.2484 9.4452 10.4469 10.7361 k = 0.0000 0.4024 0.3350 ( 3300 PWs) bands (ev): -12.6907 -12.6858 -11.7321 -11.7265 -10.6021 -10.5981 -4.3507 -4.3427 -3.5658 -3.5601 0.8169 0.8231 1.3462 1.4936 1.8342 1.8354 2.2760 2.3075 2.3957 2.4287 2.6796 2.6922 4.0004 4.0035 4.7767 4.8463 5.1989 5.2142 7.7185 7.8100 8.5162 8.6578 9.2870 9.4579 10.4868 10.7449 k = 0.0000 0.4146 0.3350 ( 3300 PWs) bands (ev): -12.6638 -12.6593 -11.7569 -11.7516 -10.5974 -10.5939 -4.3411 -4.3336 -3.5965 -3.5909 0.8422 0.8427 1.3613 1.5267 1.7996 1.8339 2.2524 2.2715 2.3738 2.4065 2.6582 2.6701 4.0021 4.0049 4.7905 4.8537 5.1945 5.2100 7.7221 7.8006 8.5457 8.6684 9.3233 9.4690 10.5253 10.7515 k = 0.0000 0.4268 0.3350 ( 3304 PWs) bands (ev): -12.6389 -12.6346 -11.7799 -11.7751 -10.5932 -10.5902 -4.3315 -4.3247 -3.6246 -3.6192 0.8615 0.8660 1.3744 1.5538 1.7704 1.8379 2.2288 2.2350 2.3554 2.3877 2.6394 2.6501 4.0038 4.0062 4.8035 4.8596 5.1903 5.2053 7.7251 7.7913 8.5729 8.6768 9.3567 9.4784 10.5620 10.7557 k = 0.0000 0.4390 0.3350 ( 3298 PWs) bands (ev): -12.6162 -12.6124 -11.8008 -11.7965 -10.5896 -10.5870 -4.3223 -4.3161 -3.6493 -3.6445 0.8793 0.8875 1.3865 1.5687 1.7539 1.8453 2.1991 2.2047 2.3412 2.3719 2.6233 2.6326 4.0053 4.0073 4.8156 4.8639 5.1865 5.2006 7.7280 7.7823 8.5975 8.6830 9.3869 9.4858 10.5965 10.7577 k = 0.0000 0.4512 0.3350 ( 3298 PWs) bands (ev): -12.5964 -12.5932 -11.8189 -11.8153 -10.5866 -10.5845 -4.3137 -4.3085 -3.6705 -3.6662 0.8956 0.9058 1.3988 1.5662 1.7557 1.8543 2.1652 2.1802 2.3311 2.3584 2.6102 2.6178 4.0066 4.0083 4.8266 4.8665 5.1836 5.1958 7.7310 7.7739 8.6193 8.6868 9.4134 9.4907 10.6284 10.7570 k = 0.0000 0.4634 0.3350 ( 3302 PWs) bands (ev): -12.5801 -12.5776 -11.8337 -11.8309 -10.5842 -10.5826 -4.3063 -4.3022 -3.6874 -3.6840 0.9099 0.9201 1.4125 1.5487 1.7732 1.8624 2.1358 2.1561 2.3249 2.3472 2.6001 2.6059 4.0077 4.0090 4.8367 4.8673 5.1815 5.1914 7.7342 7.7661 8.6380 8.6881 9.4361 9.4930 10.6571 10.7534 k = 0.0000 0.4756 0.3350 ( 3298 PWs) bands (ev): -12.5678 -12.5661 -11.8446 -11.8426 -10.5823 -10.5813 -4.3004 -4.2975 -3.6997 -3.6973 0.9217 0.9299 1.4289 1.5237 1.7984 1.8659 2.1140 2.1338 2.3221 2.3379 2.5931 2.5970 4.0086 4.0094 4.8455 4.8663 5.1805 5.1875 7.7379 7.7590 8.6537 8.6868 9.4550 9.4923 10.6825 10.7466 k = 0.0000 0.4878 0.3350 ( 3298 PWs) bands (ev): -12.5600 -12.5591 -11.8511 -11.8501 -10.5811 -10.5806 -4.2964 -4.2949 -3.7070 -3.7057 0.9301 0.9347 1.4485 1.4970 1.8246 1.8613 2.1029 2.1154 2.3224 2.3306 2.5893 2.5912 4.0092 4.0096 4.8530 4.8635 5.1807 5.1843 7.7422 7.7527 8.6664 8.6828 9.4699 9.4884 10.7043 10.7363 k = 0.0000 0.5000 0.3350 ( 3296 PWs) bands (ev): -12.5571 -12.5571 -11.8530 -11.8530 -10.5805 -10.5805 -4.2945 -4.2945 -3.7090 -3.7090 0.9347 0.9347 1.4714 1.4714 1.8469 1.8469 2.1040 2.1040 2.3254 2.3254 2.5887 2.5887 4.0096 4.0096 4.8591 4.8591 5.1820 5.1820 7.7471 7.7471 8.6761 8.6761 9.4810 9.4810 10.7222 10.7222 k = 0.0000 0.5000 0.3350 ( 3296 PWs) bands (ev): -12.5571 -12.5571 -11.8530 -11.8530 -10.5805 -10.5805 -4.2945 -4.2945 -3.7090 -3.7090 0.9347 0.9347 1.4714 1.4714 1.8469 1.8469 2.1040 2.1040 2.3254 2.3254 2.5887 2.5887 4.0096 4.0096 4.8591 4.8591 5.1820 5.1820 7.7471 7.7471 8.6761 8.6761 9.4810 9.4810 10.7222 10.7222 k = 0.0122 0.5000 0.3350 ( 3300 PWs) bands (ev): -12.5572 -12.5563 -11.8531 -11.8521 -10.5806 -10.5800 -4.2952 -4.2951 -3.7110 -3.7105 0.8994 0.9572 1.4712 1.4740 1.8469 1.8544 2.1038 2.1070 2.3230 2.3295 2.5687 2.6092 4.0024 4.0113 4.8594 4.8648 5.1821 5.1821 7.7443 7.7490 8.6673 8.6833 9.4763 9.4851 10.6916 10.7506 k = 0.0244 0.5000 0.3350 ( 3296 PWs) bands (ev): -12.5566 -12.5549 -11.8524 -11.8505 -10.5802 -10.5791 -4.2970 -4.2969 -3.7166 -3.7155 0.8547 0.9647 1.4694 1.4825 1.8532 1.8707 2.1060 2.1128 2.3233 2.3352 2.5494 2.6302 3.9902 4.0074 4.8658 4.8763 5.1825 5.1825 7.7407 7.7501 8.6568 8.6890 9.4716 9.4879 10.6601 10.7760 k = 0.0366 0.5000 0.3350 ( 3288 PWs) bands (ev): -12.5554 -12.5528 -11.8510 -11.8481 -10.5793 -10.5776 -4.3001 -4.3000 -3.7257 -3.7241 0.8038 0.9571 1.4628 1.4971 1.8652 1.8964 2.1091 2.1210 2.3272 2.3423 2.5309 2.6516 3.9739 3.9983 4.8780 4.8926 5.1831 5.1832 7.7363 7.7503 8.6442 8.6930 9.4679 9.4887 10.6292 10.7976 k = 0.0488 0.5000 0.3350 ( 3292 PWs) bands (ev): -12.5535 -12.5501 -11.8488 -11.8450 -10.5779 -10.5757 -4.3045 -4.3044 -3.7382 -3.7360 0.7493 0.9367 1.4505 1.5151 1.8837 1.9298 2.1115 2.1309 2.3358 2.3514 2.5134 2.6732 3.9546 3.9848 4.8952 4.9129 5.1840 5.1841 7.7311 7.7495 8.6293 8.6951 9.4658 9.4872 10.6005 10.8151 k = 0.0610 0.5000 0.3350 ( 3292 PWs) bands (ev): -12.5510 -12.5467 -11.8458 -11.8411 -10.5761 -10.5734 -4.3101 -4.3100 -3.7541 -3.7513 0.6931 0.9069 1.4330 1.5322 1.9098 1.9682 2.1114 2.1422 2.3501 2.3632 2.4971 2.6947 3.9335 3.9680 4.9165 4.9362 5.1852 5.1853 7.7251 7.7477 8.6116 8.6948 9.4661 9.4831 10.5756 10.8283 k = 0.0732 0.5000 0.3350 ( 3292 PWs) bands (ev): -12.5478 -12.5427 -11.8422 -11.8366 -10.5738 -10.5706 -4.3170 -4.3169 -3.7731 -3.7698 0.6364 0.8709 1.4115 1.5451 1.9436 2.0080 2.1078 2.1545 2.3702 2.3793 2.4828 2.7159 3.9118 3.9491 4.9409 4.9616 5.1866 5.1868 7.7181 7.7447 8.5907 8.6914 9.4694 9.4767 10.5560 10.8371 k = 0.0854 0.5000 0.3350 ( 3292 PWs) bands (ev): -12.5440 -12.5382 -11.8378 -11.8313 -10.5711 -10.5674 -4.3250 -4.3250 -3.7953 -3.7914 0.5802 0.8313 1.3873 1.5521 1.9834 2.0451 2.1003 2.1675 2.3953 2.4015 2.4716 2.7365 3.8907 3.9293 4.9675 4.9883 5.1883 5.1886 7.7102 7.7407 8.5664 8.6840 9.4686 9.4764 10.5429 10.8415 k = 0.0976 0.5000 0.3350 ( 3288 PWs) bands (ev): -12.5396 -12.5330 -11.8327 -11.8254 -10.5680 -10.5638 -4.3343 -4.3342 -3.8205 -3.8159 0.5254 0.7901 1.3613 1.5533 2.0255 2.0756 2.0898 2.1813 2.4245 2.4319 2.4653 2.7562 3.8709 3.9098 4.9952 5.0154 5.1904 5.1908 7.7012 7.7353 8.5385 8.6716 9.4601 9.4874 10.5368 10.8417 k = 0.1098 0.5000 0.3350 ( 3296 PWs) bands (ev): -12.5346 -12.5273 -11.8269 -11.8188 -10.5644 -10.5598 -4.3449 -4.3447 -3.8484 -3.8432 0.4725 0.7485 1.3344 1.5497 2.0580 2.0835 2.0969 2.1955 2.4563 2.4670 2.4718 2.7745 3.8535 3.8917 5.0233 5.0424 5.1927 5.1934 7.6912 7.7287 8.5069 8.6533 9.4526 9.5027 10.5381 10.8380 k = 0.1220 0.5000 0.3350 ( 3300 PWs) bands (ev): -12.5291 -12.5211 -11.8205 -11.8116 -10.5605 -10.5554 -4.3567 -4.3563 -3.8789 -3.8730 0.4219 0.7075 1.3071 1.5423 2.0507 2.1065 2.1089 2.2092 2.4804 2.4901 2.5213 2.7912 3.8391 3.8760 5.0511 5.0687 5.1956 5.1964 7.6800 7.7207 8.4717 8.6284 9.4476 9.5227 10.5466 10.8307 k = 0.1341 0.5000 0.3350 ( 3296 PWs) bands (ev): -12.5230 -12.5144 -11.8135 -11.8039 -10.5562 -10.5507 -4.3696 -4.3690 -3.9117 -3.9052 0.3739 0.6678 1.2798 1.5320 2.0310 2.1128 2.1268 2.2215 2.5091 2.5248 2.5789 2.8062 3.8282 3.8634 5.0779 5.0938 5.1990 5.2000 7.6675 7.7112 8.4331 8.5964 9.4465 9.5472 10.5618 10.8205 k = 0.1463 0.5000 0.3350 ( 3292 PWs) bands (ev): -12.5165 -12.5073 -11.8059 -11.7956 -10.5516 -10.5457 -4.3837 -4.3828 -3.9466 -3.9395 0.3290 0.6301 1.2529 1.5197 2.0080 2.1104 2.1341 2.2317 2.5514 2.5616 2.6427 2.8193 3.8212 3.8547 5.1032 5.1172 5.2031 5.2044 7.6536 7.7001 8.3916 8.5574 9.4501 9.5762 10.5829 10.8078 k = 0.1585 0.5000 0.3350 ( 3288 PWs) bands (ev): -12.5095 -12.4997 -11.7978 -11.7869 -10.5466 -10.5404 -4.3988 -4.3977 -3.9835 -3.9757 0.2872 0.5947 1.2264 1.5056 1.9823 2.1028 2.1300 2.2397 2.5905 2.6143 2.7107 2.8309 3.8183 3.8501 5.1262 5.1385 5.2083 5.2097 7.6382 7.6875 8.3474 8.5120 9.4590 9.6095 10.6091 10.7932 k = 0.1707 0.5000 0.3350 ( 3296 PWs) bands (ev): -12.5020 -12.4917 -11.7891 -11.7777 -10.5413 -10.5348 -4.4150 -4.4136 -4.0221 -4.0136 0.2489 0.5619 1.2006 1.4902 1.9544 2.0909 2.1176 2.2453 2.6241 2.6808 2.7798 2.8427 3.8196 3.8498 5.1464 5.1570 5.2150 5.2165 7.6211 7.6732 8.3013 8.4610 9.4732 9.6469 10.6392 10.7771 k = 0.1829 0.5000 0.3350 ( 3292 PWs) bands (ev): -12.4942 -12.4835 -11.7800 -11.7681 -10.5358 -10.5290 -4.4322 -4.4305 -4.0620 -4.0529 0.2141 0.5320 1.1756 1.4736 1.9243 2.0753 2.0999 2.2486 2.6561 2.7540 2.8322 2.8721 3.8249 3.8539 5.1631 5.1723 5.2237 5.2251 7.6024 7.6570 8.2536 8.4058 9.4922 9.6880 10.6722 10.7599 k = 0.1951 0.5000 0.3350 ( 3292 PWs) bands (ev): -12.4860 -12.4749 -11.7705 -11.7582 -10.5300 -10.5230 -4.4503 -4.4482 -4.1031 -4.0934 0.1830 0.5052 1.1515 1.4559 1.8921 2.0564 2.0789 2.2493 2.6866 2.8312 2.8466 2.9396 3.8342 3.8621 5.1761 5.1843 5.2344 5.2356 7.5819 7.6391 8.2051 8.3474 9.5155 9.7326 10.7064 10.7421 k = 0.2073 0.5000 0.3350 ( 3292 PWs) bands (ev): -12.4775 -12.4661 -11.7607 -11.7479 -10.5240 -10.5168 -4.4692 -4.4667 -4.1451 -4.1349 0.1557 0.4815 1.1281 1.4371 1.8579 2.0345 2.0561 2.2476 2.7157 2.8537 2.9108 3.0146 3.8471 3.8740 5.1859 5.1937 5.2465 5.2472 7.5593 7.6191 8.1564 8.2872 9.5425 9.7801 10.7237 10.7401 k = 0.2195 0.5000 0.3350 ( 3296 PWs) bands (ev): -12.4688 -12.4571 -11.7505 -11.7375 -10.5178 -10.5104 -4.4888 -4.4859 -4.1877 -4.1770 0.1322 0.4612 1.1057 1.4172 1.8218 2.0099 2.0328 2.2433 2.7432 2.8596 2.9919 3.0910 3.8631 3.8892 5.1937 5.2013 5.2590 5.2591 7.5347 7.5970 8.1079 8.2263 9.5726 9.8303 10.7051 10.7710 k = 0.2317 0.5000 0.3350 ( 3296 PWs) bands (ev): -12.4598 -12.4479 -11.7401 -11.7268 -10.5115 -10.5040 -4.5090 -4.5057 -4.2307 -4.2196 0.1126 0.4443 1.0842 1.3961 1.7838 1.9826 2.0098 2.2367 2.7693 2.8655 3.0735 3.1677 3.8819 3.9071 5.2002 5.2079 5.2704 5.2713 7.5080 7.5726 8.0603 8.1656 9.6051 9.8827 10.6864 10.7972 k = 0.2439 0.5000 0.3350 ( 3300 PWs) bands (ev): -12.4507 -12.4387 -11.7295 -11.7160 -10.5050 -10.4975 -4.5297 -4.5261 -4.2739 -4.2624 0.0969 0.4307 1.0635 1.3738 1.7442 1.9529 1.9877 2.2277 2.7941 2.8718 3.1552 3.2442 3.9029 3.9272 5.2060 5.2139 5.2810 5.2826 7.4790 7.5458 8.0141 8.1063 9.6396 9.9369 10.6677 10.8176 k = 0.2561 0.5000 0.3350 ( 3308 PWs) bands (ev): -12.4415 -12.4294 -11.7188 -11.7052 -10.4985 -10.4909 -4.5508 -4.5468 -4.3169 -4.3052 0.0851 0.4206 1.0438 1.3503 1.7029 1.9209 1.9669 2.2166 2.8175 2.8787 3.2364 3.3202 3.9257 3.9490 5.2116 5.2198 5.2905 5.2928 7.4479 7.5165 7.9697 8.0490 9.6755 9.9925 10.6491 10.8325 k = 0.2683 0.5000 0.3350 ( 3312 PWs) bands (ev): -12.4322 -12.4201 -11.7079 -11.6944 -10.4919 -10.4844 -4.5721 -4.5677 -4.3596 -4.3476 0.0772 0.4138 1.0250 1.3256 1.6602 1.8868 1.9480 2.2037 2.8397 2.8865 3.3168 3.3952 3.9498 3.9719 5.2170 5.2256 5.2988 5.3016 7.4146 7.4845 7.9273 7.9944 9.7122 10.0490 10.6309 10.8431 k = 0.2805 0.5000 0.3350 ( 3304 PWs) bands (ev): -12.4229 -12.4109 -11.6971 -11.6837 -10.4854 -10.4779 -4.5935 -4.5888 -4.4017 -4.3895 0.0730 0.4103 1.0072 1.2998 1.6162 1.8506 1.9310 2.1893 2.8608 2.8952 3.3961 3.4691 3.9747 3.9954 5.2226 5.2315 5.3060 5.3092 7.3794 7.4499 7.8874 7.9432 9.7495 10.1060 10.6130 10.8509 k = 0.2927 0.5000 0.3350 ( 3304 PWs) bands (ev): -12.4137 -12.4018 -11.6864 -11.6731 -10.4789 -10.4715 -4.6149 -4.6099 -4.4429 -4.4307 0.0726 0.4101 0.9903 1.2731 1.5711 1.8126 1.9162 2.1738 2.8807 2.9048 3.4738 3.5415 3.9999 4.0193 5.2283 5.2375 5.3121 5.3156 7.3424 7.4127 7.8499 7.8957 9.7870 10.1629 10.5958 10.8570 k = 0.3049 0.5000 0.3350 ( 3312 PWs) bands (ev): -12.4046 -12.3930 -11.6757 -11.6627 -10.4724 -10.4652 -4.6360 -4.6308 -4.4830 -4.4709 0.0759 0.4129 0.9745 1.2456 1.5252 1.7729 1.9036 2.1573 2.8995 2.9150 3.5496 3.6122 4.0252 4.0430 5.2342 5.2436 5.3172 5.3207 7.3040 7.3732 7.8150 7.8520 9.8243 10.2191 10.5794 10.8623 k = 0.3171 0.5000 0.3350 ( 3308 PWs) bands (ev): -12.3956 -12.3843 -11.6653 -11.6525 -10.4661 -10.4591 -4.6568 -4.6514 -4.5219 -4.5099 0.0827 0.4186 0.9597 1.2176 1.4786 1.7316 1.8932 2.1403 2.9173 2.9258 3.6233 3.6809 4.0501 4.0664 5.2404 5.2500 5.3214 5.3249 7.2646 7.3317 7.7826 7.8122 9.8611 10.2737 10.5646 10.8673 k = 0.3293 0.5000 0.3350 ( 3312 PWs) bands (ev): -12.3869 -12.3759 -11.6551 -11.6427 -10.4600 -10.4532 -4.6771 -4.6716 -4.5592 -4.5475 0.0929 0.4271 0.9459 1.1893 1.4316 1.6890 1.8849 2.1230 2.9341 2.9370 3.6946 3.7473 4.0744 4.0891 5.2468 5.2565 5.3248 5.3281 7.2244 7.2887 7.7527 7.7761 9.8973 10.3253 10.5522 10.8723 k = 0.3415 0.5000 0.3350 ( 3308 PWs) bands (ev): -12.3784 -12.3679 -11.6452 -11.6333 -10.4540 -10.4475 -4.6966 -4.6911 -4.5949 -4.5835 0.1064 0.4380 0.9334 1.1611 1.3845 1.6452 1.8786 2.1056 2.9485 2.9499 3.7631 3.8111 4.0977 4.1108 5.2536 5.2631 5.3274 5.3306 7.1842 7.2448 7.7252 7.7437 9.9325 10.3711 10.5448 10.8777 k = 0.3537 0.5000 0.3350 ( 3304 PWs) bands (ev): -12.3703 -12.3603 -11.6357 -11.6244 -10.4483 -10.4421 -4.7154 -4.7099 -4.6286 -4.6177 0.1231 0.4509 0.9220 1.1331 1.3378 1.6003 1.8741 2.0883 2.9600 2.9646 3.8284 3.8719 4.1199 4.1315 5.2606 5.2700 5.3295 5.3323 7.1441 7.2006 7.6999 7.7145 9.9666 10.4057 10.5475 10.8834 k = 0.3659 0.5000 0.3350 ( 3316 PWs) bands (ev): -12.3626 -12.3531 -11.6266 -11.6160 -10.4428 -10.4370 -4.7333 -4.7279 -4.6604 -4.6499 0.1427 0.4656 0.9120 1.1057 1.2918 1.5547 1.8714 2.0713 2.9713 2.9783 3.8904 3.9295 4.1408 4.1508 5.2678 5.2769 5.3311 5.3334 7.1049 7.1568 7.6769 7.6883 9.9995 10.4227 10.5662 10.8895 k = 0.3780 0.5000 0.3350 ( 3324 PWs) bands (ev): -12.3553 -12.3465 -11.6181 -11.6081 -10.4376 -10.4322 -4.7501 -4.7449 -4.6898 -4.6801 0.1651 0.4814 0.9033 1.0791 1.2472 1.5085 1.8703 2.0547 2.9824 2.9909 3.9485 3.9835 4.1601 4.1688 5.2753 5.2838 5.3322 5.3341 7.0669 7.1139 7.6560 7.6649 10.0310 10.4237 10.5989 10.8959 k = 0.3902 0.5000 0.3350 ( 3328 PWs) bands (ev): -12.3484 -12.3403 -11.6101 -11.6009 -10.4328 -10.4278 -4.7657 -4.7607 -4.7169 -4.7079 0.1901 0.4976 0.8960 1.0537 1.2044 1.4620 1.8707 2.0386 2.9930 3.0023 4.0026 4.0335 4.1778 4.1853 5.2829 5.2907 5.3331 5.3343 7.0306 7.0727 7.6371 7.6441 10.0612 10.4160 10.6381 10.9023 k = 0.4024 0.5000 0.3350 ( 3328 PWs) bands (ev): -12.3421 -12.3348 -11.6027 -11.5944 -10.4284 -10.4239 -4.7799 -4.7753 -4.7415 -4.7332 0.2174 0.5132 0.8903 1.0297 1.1645 1.4155 1.8724 2.0231 3.0030 3.0126 4.0522 4.0792 4.1939 4.2002 5.2905 5.2974 5.3338 5.3343 6.9965 7.0336 7.6203 7.6258 10.0899 10.4042 10.6787 10.9085 k = 0.4146 0.5000 0.3350 ( 3332 PWs) bands (ev): -12.3364 -12.3299 -11.5960 -11.5886 -10.4244 -10.4203 -4.7926 -4.7884 -4.7634 -4.7560 0.2467 0.5271 0.8862 1.0076 1.1283 1.3693 1.8753 2.0081 3.0123 3.0216 4.0970 4.1203 4.2081 4.2134 5.2980 5.3037 5.3341 5.3344 6.9651 6.9973 7.6055 7.6097 10.1172 10.3904 10.7183 10.9142 k = 0.4268 0.5000 0.3350 ( 3332 PWs) bands (ev): -12.3313 -12.3256 -11.5900 -11.5835 -10.4208 -10.4173 -4.8038 -4.8001 -4.7825 -4.7760 0.2778 0.5379 0.8838 0.9877 1.0973 1.3237 1.8794 1.9939 3.0208 3.0295 4.1368 4.1564 4.2206 4.2250 5.3052 5.3095 5.3339 5.3350 6.9368 6.9642 7.5926 7.5959 10.1431 10.3754 10.7555 10.9190 k = 0.4390 0.5000 0.3350 ( 3328 PWs) bands (ev): -12.3268 -12.3220 -11.5847 -11.5793 -10.4176 -10.4147 -4.8134 -4.8102 -4.7988 -4.7932 0.3102 0.5438 0.8831 0.9703 1.0728 1.2791 1.8844 1.9803 3.0283 3.0360 4.1712 4.1873 4.2312 4.2348 5.3118 5.3146 5.3336 5.3357 6.9123 6.9348 7.5818 7.5843 10.1676 10.3598 10.7896 10.9224 k = 0.4512 0.5000 0.3350 ( 3332 PWs) bands (ev): -12.3230 -12.3191 -11.5803 -11.5759 -10.4150 -10.4126 -4.8213 -4.8187 -4.8121 -4.8076 0.3436 0.5433 0.8842 0.9551 1.0568 1.2360 1.8905 1.9674 3.0347 3.0412 4.2000 4.2125 4.2399 4.2429 5.3177 5.3187 5.3334 5.3364 6.8918 6.9097 7.5729 7.5748 10.1909 10.3436 10.8202 10.9239 k = 0.4634 0.5000 0.3350 ( 3336 PWs) bands (ev): -12.3199 -12.3170 -11.5766 -11.5733 -10.4128 -10.4110 -4.8274 -4.8254 -4.8224 -4.8190 0.3773 0.5357 0.8872 0.9416 1.0508 1.1950 1.8974 1.9552 3.0400 3.0450 4.2229 4.2319 4.2468 4.2493 5.3218 5.3222 5.3335 5.3372 6.8759 6.8892 7.5660 7.5673 10.2130 10.3269 10.8469 10.9232 k = 0.4756 0.5000 0.3350 ( 3340 PWs) bands (ev): -12.3176 -12.3156 -11.5739 -11.5716 -10.4112 -10.4100 -4.8317 -4.8304 -4.8296 -4.8273 0.4107 0.5207 0.8921 0.9291 1.0556 1.1569 1.9051 1.9437 3.0441 3.0475 4.2398 4.2450 4.2518 4.2542 5.3240 5.3251 5.3344 5.3377 6.8648 6.8736 7.5611 7.5620 10.2341 10.3097 10.8695 10.9196 k = 0.4878 0.5000 0.3350 ( 3336 PWs) bands (ev): -12.3159 -12.3149 -11.5720 -11.5709 -10.4101 -10.4095 -4.8341 -4.8337 -4.8335 -4.8325 0.4429 0.4993 0.8989 0.9176 1.0702 1.1225 1.9136 1.9330 3.0470 3.0487 4.2501 4.2518 4.2555 4.2576 5.3254 5.3262 5.3358 5.3377 6.8589 6.8633 7.5583 7.5587 10.2541 10.2918 10.8880 10.9128 k = 0.5000 0.5000 0.3350 ( 3352 PWs) bands (ev): -12.3151 -12.3151 -11.5710 -11.5710 -10.4095 -10.4095 -4.8349 -4.8349 -4.8346 -4.8346 0.4729 0.4729 0.9074 0.9074 1.0931 1.0931 1.9229 1.9229 3.0485 3.0485 4.2534 4.2534 4.2581 4.2581 5.3262 5.3262 5.3371 5.3371 6.8584 6.8584 7.5575 7.5575 10.2734 10.2734 10.9023 10.9023 k = 0.5000 0.5000 0.3350 ( 3352 PWs) bands (ev): -12.3151 -12.3151 -11.5710 -11.5710 -10.4095 -10.4095 -4.8349 -4.8349 -4.8346 -4.8346 0.4729 0.4729 0.9074 0.9074 1.0931 1.0931 1.9229 1.9229 3.0485 3.0485 4.2534 4.2534 4.2581 4.2581 5.3262 5.3262 5.3371 5.3371 6.8584 6.8584 7.5575 7.5575 10.2734 10.2734 10.9023 10.9023 k = 0.4912 0.4912 0.3350 ( 3336 PWs) bands (ev): -12.3159 -12.3149 -11.5720 -11.5709 -10.4101 -10.4095 -4.8346 -4.8343 -4.8325 -4.8323 0.4425 0.4997 0.8989 0.9177 1.0697 1.1232 1.9135 1.9332 3.0469 3.0487 4.2504 4.2506 4.2561 4.2577 5.3254 5.3263 5.3357 5.3377 6.8590 6.8635 7.5583 7.5588 10.2538 10.2922 10.8877 10.9129 k = 0.4825 0.4825 0.3350 ( 3340 PWs) bands (ev): -12.3176 -12.3156 -11.5739 -11.5717 -10.4112 -10.4100 -4.8336 -4.8327 -4.8260 -4.8259 0.4098 0.5206 0.8939 0.9289 1.0532 1.1591 1.9048 1.9442 3.0440 3.0475 4.2382 4.2411 4.2550 4.2556 5.3237 5.3258 5.3338 5.3377 6.8652 6.8740 7.5613 7.5621 10.2334 10.3102 10.8689 10.9196 k = 0.4737 0.4737 0.3350 ( 3340 PWs) bands (ev): -12.3202 -12.3172 -11.5767 -11.5733 -10.4129 -10.4111 -4.8318 -4.8304 -4.8153 -4.8152 0.3762 0.5335 0.8950 0.9412 1.0436 1.1997 1.8969 1.9559 3.0396 3.0449 4.2183 4.2237 4.2533 4.2536 5.3212 5.3246 5.3316 5.3369 6.8768 6.8898 7.5663 7.5676 10.2121 10.3278 10.8460 10.9226 k = 0.4649 0.4649 0.3350 ( 3338 PWs) bands (ev): -12.3235 -12.3196 -11.5803 -11.5757 -10.4152 -10.4127 -4.8291 -4.8272 -4.8003 -4.8002 0.3425 0.5367 0.9043 0.9545 1.0400 1.2440 1.8897 1.9684 3.0339 3.0410 4.1913 4.1988 4.2506 4.2516 5.3177 5.3229 5.3291 5.3355 6.8935 6.9104 7.5734 7.5751 10.1897 10.3448 10.8190 10.9223 k = 0.4561 0.4561 0.3350 ( 3338 PWs) bands (ev): -12.3279 -12.3229 -11.5844 -11.5788 -10.4180 -10.4149 -4.8256 -4.8232 -4.7812 -4.7811 0.3090 0.5302 0.9227 0.9692 1.0415 1.2911 1.8834 1.9817 3.0267 3.0356 4.1578 4.1669 4.2473 4.2490 5.3135 5.3205 5.3264 5.3336 6.9150 6.9355 7.5826 7.5846 10.1663 10.3615 10.7880 10.9190 k = 0.4474 0.4474 0.3350 ( 3334 PWs) bands (ev): -12.3332 -12.3273 -11.5891 -11.5824 -10.4213 -10.4177 -4.8213 -4.8184 -4.7580 -4.7580 0.2764 0.5156 0.9494 0.9855 1.0475 1.3404 1.8778 1.9958 3.0182 3.0289 4.1181 4.1286 4.2434 4.2457 5.3086 5.3177 5.3235 5.3314 6.9408 6.9646 7.5936 7.5961 10.1418 10.3780 10.7533 10.9130 k = 0.4386 0.4386 0.3350 ( 3334 PWs) bands (ev): -12.3397 -12.3329 -11.5941 -11.5864 -10.4251 -10.4210 -4.8162 -4.8129 -4.7310 -4.7310 0.2449 0.4953 0.9826 1.0035 1.0574 1.3914 1.8732 2.0107 3.0081 3.0207 4.0730 4.0844 4.2389 4.2418 5.3034 5.3143 5.3202 5.3288 6.9705 6.9970 7.6066 7.6095 10.1161 10.3943 10.7150 10.9048 k = 0.4298 0.4298 0.3350 ( 3330 PWs) bands (ev): -12.3473 -12.3397 -11.5991 -11.5905 -10.4295 -10.4248 -4.8104 -4.8065 -4.7002 -4.7002 0.2147 0.4712 1.0203 1.0234 1.0711 1.4434 1.8694 2.0263 2.9966 3.0111 4.0229 4.0351 4.2338 4.2372 5.2979 5.3105 5.3166 5.3259 7.0035 7.0322 7.6214 7.6248 10.0891 10.4107 10.6734 10.8946 k = 0.4211 0.4211 0.3350 ( 3326 PWs) bands (ev): -12.3563 -12.3479 -11.6041 -11.5946 -10.4344 -10.4291 -4.8037 -4.7995 -4.6658 -4.6658 0.1861 0.4451 1.0453 1.0598 1.0894 1.4963 1.8665 2.0427 2.9834 3.0000 3.9686 3.9811 4.2280 4.2321 5.2924 5.3064 5.3125 5.3228 7.0393 7.0698 7.6380 7.6418 10.0606 10.4271 10.6289 10.8829 k = 0.4123 0.4123 0.3350 ( 3318 PWs) bands (ev): -12.3666 -12.3575 -11.6088 -11.5984 -10.4397 -10.4339 -4.7963 -4.7916 -4.6280 -4.6279 0.1591 0.4181 1.0692 1.0943 1.1180 1.5495 1.8648 2.0600 2.9686 2.9873 3.9109 3.9234 4.2216 4.2264 5.2868 5.3020 5.3080 5.3194 7.0775 7.1093 7.6562 7.6605 10.0306 10.4438 10.5818 10.8700 k = 0.4035 0.4035 0.3350 ( 3316 PWs) bands (ev): -12.3785 -12.3687 -11.6129 -11.6018 -10.4455 -10.4393 -4.7883 -4.7832 -4.5869 -4.5869 0.1340 0.3911 1.0952 1.1200 1.1599 1.6025 1.8644 2.0780 2.9518 2.9729 3.8504 3.8626 4.2146 4.2202 5.2814 5.2975 5.3029 5.3157 7.1177 7.1501 7.6760 7.6807 9.9988 10.4608 10.5323 10.8561 k = 0.3947 0.3947 0.3350 ( 3316 PWs) bands (ev): -12.3919 -12.3816 -11.6163 -11.6045 -10.4518 -10.4451 -4.7796 -4.7741 -4.5429 -4.5428 0.1108 0.3647 1.1233 1.1447 1.2064 1.6548 1.8659 2.0968 2.9330 2.9567 3.7881 3.7996 4.2070 4.2133 5.2760 5.2929 5.2974 5.3117 7.1595 7.1919 7.6972 7.7025 9.9649 10.4781 10.4810 10.8415 k = 0.3860 0.3860 0.3350 ( 3312 PWs) bands (ev): -12.4070 -12.3962 -11.6188 -11.6064 -10.4585 -10.4513 -4.7702 -4.7643 -4.4960 -4.4959 0.0896 0.3393 1.1535 1.1709 1.2546 1.7051 1.8702 2.1164 2.9117 2.9385 3.7247 3.7353 4.1989 4.2060 5.2707 5.2881 5.2912 5.3072 7.2025 7.2343 7.7197 7.7257 9.9288 10.4283 10.4958 10.8265 k = 0.3772 0.3772 0.3350 ( 3312 PWs) bands (ev): -12.4238 -12.4126 -11.6202 -11.6074 -10.4656 -10.4580 -4.7602 -4.7540 -4.4465 -4.4464 0.0704 0.3152 1.1858 1.1989 1.3038 1.7511 1.8796 2.1368 2.8877 2.9180 3.6614 3.6705 4.1901 4.1981 5.2655 5.2833 5.2844 5.3023 7.2464 7.2770 7.7434 7.7502 9.8901 10.3746 10.5137 10.8113 k = 0.3684 0.3684 0.3350 ( 3316 PWs) bands (ev): -12.4423 -12.4308 -11.6204 -11.6073 -10.4731 -10.4652 -4.7497 -4.7431 -4.3947 -4.3946 0.0535 0.2926 1.2202 1.2287 1.3535 1.7883 1.8982 2.1580 2.8604 2.8947 3.5991 3.6062 4.1808 4.1898 5.2603 5.2770 5.2784 5.2969 7.2909 7.3197 7.7682 7.7760 9.8484 10.3204 10.5319 10.7961 k = 0.3596 0.3596 0.3350 ( 3324 PWs) bands (ev): -12.4624 -12.4508 -11.6193 -11.6060 -10.4810 -10.4727 -4.7386 -4.7317 -4.3408 -4.3406 0.0387 0.2718 1.2567 1.2603 1.4035 1.8131 1.9298 2.1799 2.8293 2.8684 3.5388 3.5436 4.1710 4.1810 5.2551 5.2689 5.2734 5.2910 7.3358 7.3621 7.7938 7.8028 9.8034 10.2663 10.5500 10.7810 k = 0.3509 0.3509 0.3350 ( 3324 PWs) bands (ev): -12.4841 -12.4724 -11.6169 -11.6034 -10.4892 -10.4806 -4.7270 -4.7199 -4.2849 -4.2848 0.0262 0.2528 1.2936 1.2954 1.4537 1.8276 1.9720 2.2026 2.7939 2.8386 3.4818 3.4838 4.1606 4.1718 5.2494 5.2606 5.2681 5.2845 7.3808 7.4040 7.8202 7.8307 9.7548 10.2129 10.5678 10.7663 k = 0.3421 0.3421 0.3350 ( 3332 PWs) bands (ev): -12.5074 -12.4957 -11.6131 -11.5996 -10.4978 -10.4889 -4.7150 -4.7076 -4.2274 -4.2273 0.0160 0.2358 1.3283 1.3360 1.5039 1.8371 2.0195 2.2259 2.7535 2.8049 3.4278 3.4291 4.1498 4.1622 5.2423 5.2526 5.2623 5.2775 7.4256 7.4452 7.8472 7.8594 9.7024 10.1606 10.5844 10.7524 k = 0.3333 0.3333 0.3350 ( 3328 PWs) bands (ev): -12.5321 -12.5205 -11.6079 -11.5944 -10.5067 -10.4975 -4.7026 -4.6949 -4.1685 -4.1684 0.0081 0.2208 1.3643 1.3787 1.5540 1.8446 2.0692 2.2498 2.7079 2.7669 3.3766 3.3815 4.1385 4.1522 5.2328 5.2460 5.2558 5.2703 7.4701 7.4855 7.8745 7.8890 9.6460 10.1098 10.5982 10.7400 k = 0.3246 0.3246 0.3350 ( 3326 PWs) bands (ev): -12.5581 -12.5467 -11.6013 -11.5880 -10.5158 -10.5064 -4.6897 -4.6819 -4.1085 -4.1084 0.0024 0.2079 1.4014 1.4234 1.6040 1.8514 2.1196 2.2739 2.6569 2.7249 3.3311 3.3397 4.1267 4.1419 5.2211 5.2405 5.2480 5.2632 7.5139 7.5247 7.9019 7.9192 9.5858 10.0608 10.6054 10.7303 k = 0.3158 0.3158 0.3350 ( 3318 PWs) bands (ev): -12.5853 -12.5741 -11.5935 -11.5804 -10.5252 -10.5156 -4.6766 -4.6686 -4.0475 -4.0474 -0.0009 0.1970 1.4393 1.4700 1.6535 1.8582 2.1698 2.2980 2.6009 2.6795 3.2918 3.3039 4.1146 4.1314 5.2076 5.2354 5.2384 5.2564 7.5568 7.5626 7.9293 7.9499 9.5220 10.0137 10.5965 10.7253 k = 0.3070 0.3070 0.3350 ( 3310 PWs) bands (ev): -12.6135 -12.6026 -11.5844 -11.5715 -10.5348 -10.5250 -4.6632 -4.6550 -3.9859 -3.9858 -0.0019 0.1883 1.4776 1.5185 1.7027 1.8654 2.2190 2.3211 2.5407 2.6322 3.2586 3.2742 4.1021 4.1205 5.1925 5.2270 5.2303 5.2500 7.5983 7.5989 7.9563 7.9811 9.4551 9.9687 10.5569 10.6981 k = 0.2982 0.2982 0.3350 ( 3320 PWs) bands (ev): -12.6427 -12.6321 -11.5742 -11.5616 -10.5445 -10.5346 -4.6496 -4.6413 -3.9239 -3.9238 -0.0007 0.1818 1.5159 1.5687 1.7511 1.8732 2.2660 2.3416 2.4780 2.5859 3.2315 3.2504 4.0892 4.1095 5.1758 5.2138 5.2252 5.2437 7.6334 7.6380 7.9827 8.0124 9.3858 9.9256 10.4878 10.6693 k = 0.2895 0.2895 0.3350 ( 3314 PWs) bands (ev): -12.6726 -12.6623 -11.5629 -11.5506 -10.5545 -10.5445 -4.6357 -4.6273 -3.8616 -3.8616 0.0028 0.1773 1.5534 1.6206 1.7985 1.8815 2.3051 2.3553 2.4193 2.5464 3.2101 3.2319 4.0761 4.0983 5.1575 5.1988 5.2198 5.2373 7.6657 7.6754 8.0081 8.0439 9.3150 9.8844 10.4057 10.6485 k = 0.2807 0.2807 0.3350 ( 3310 PWs) bands (ev): -12.7030 -12.6931 -11.5506 -11.5387 -10.5646 -10.5545 -4.6218 -4.6133 -3.7994 -3.7994 0.0084 0.1749 1.5893 1.6739 1.8445 1.8905 2.3020 2.3551 2.3998 2.5229 3.1939 3.2185 4.0626 4.0869 5.1376 5.1821 5.2142 5.2307 7.6956 7.7097 8.0324 8.0753 9.2437 9.8451 10.3196 10.6292 k = 0.2719 0.2719 0.3350 ( 3308 PWs) bands (ev): -12.7339 -12.7243 -11.5375 -11.5259 -10.5747 -10.5646 -4.6078 -4.5992 -3.7376 -3.7375 0.0162 0.1746 1.6222 1.7283 1.8882 1.9000 2.2450 2.3373 2.4323 2.5220 3.1824 3.2096 4.0489 4.0755 5.1160 5.1637 5.2081 5.2237 7.7226 7.7402 8.0553 8.1063 9.1730 9.8076 10.2331 10.6094 k = 0.2632 0.2632 0.3350 ( 3308 PWs) bands (ev): -12.7651 -12.7559 -11.5235 -11.5123 -10.5850 -10.5749 -4.5937 -4.5851 -3.6762 -3.6760 0.0260 0.1763 1.6501 1.7830 1.9096 1.9284 2.1773 2.3112 2.4752 2.5381 3.1753 3.2050 4.0351 4.0640 5.0927 5.1435 5.2016 5.2161 7.7460 7.7658 8.0765 8.1368 9.1045 9.7720 10.1479 10.5884 k = 0.2544 0.2544 0.3350 ( 3308 PWs) bands (ev): -12.7964 -12.7876 -11.5089 -11.4981 -10.5952 -10.5852 -4.5796 -4.5710 -3.6156 -3.6153 0.0379 0.1799 1.6701 1.8357 1.9192 1.9639 2.1113 2.2895 2.5195 2.5634 3.1721 3.2042 4.0210 4.0526 5.0677 5.1216 5.1944 5.2080 7.7652 7.7851 8.0959 8.1665 9.0397 9.7385 10.0654 10.5658 k = 0.2456 0.2456 0.3350 ( 3308 PWs) bands (ev): -12.8278 -12.8193 -11.4937 -11.4833 -10.6055 -10.5955 -4.5656 -4.5570 -3.5559 -3.5555 0.0516 0.1854 1.6787 1.8736 1.9333 1.9941 2.0569 2.2810 2.5635 2.5936 3.1726 3.2071 4.0068 4.0412 5.0409 5.0979 5.1866 5.1992 7.7795 7.7968 8.1135 8.1951 8.9803 9.7071 9.9864 10.5417 k = 0.2368 0.2368 0.3350 ( 3300 PWs) bands (ev): -12.8590 -12.8509 -11.4779 -11.4680 -10.6158 -10.6059 -4.5516 -4.5431 -3.4972 -3.4967 0.0671 0.1926 1.6726 1.8638 1.9657 2.0205 2.0343 2.2894 2.6069 2.6267 3.1765 3.2135 3.9925 4.0299 5.0124 5.0724 5.1780 5.1896 7.7878 7.7993 8.1294 8.2221 8.9284 9.6782 9.9116 10.5160 k = 0.2281 0.2281 0.3350 ( 3292 PWs) bands (ev): -12.8899 -12.8822 -11.4618 -11.4522 -10.6260 -10.6162 -4.5378 -4.5294 -3.4397 -3.4391 0.0843 0.2015 1.6512 1.8144 1.9922 2.0468 2.0601 2.3131 2.6494 2.6621 3.1836 3.2231 3.9782 4.0187 4.9822 5.0451 5.1686 5.1791 7.7892 7.7914 8.1437 8.2470 8.8856 9.6521 9.8419 10.4893 k = 0.2193 0.2193 0.3350 ( 3292 PWs) bands (ev): -12.9205 -12.9132 -11.4454 -11.4362 -10.6361 -10.6264 -4.5241 -4.5158 -3.3838 -3.3830 0.1031 0.2119 1.6163 1.7498 2.0096 2.0758 2.1131 2.3478 2.6908 2.6994 3.1939 3.2359 3.9639 4.0078 4.9504 5.0162 5.1582 5.1677 7.7719 7.7828 8.1567 8.2692 8.8532 9.6292 9.7776 10.4620 k = 0.2105 0.2105 0.3350 ( 3300 PWs) bands (ev): -12.9507 -12.9437 -11.4287 -11.4200 -10.6461 -10.6366 -4.5108 -4.5026 -3.3295 -3.3285 0.1232 0.2238 1.5717 1.6807 2.0276 2.1082 2.1734 2.3894 2.7312 2.7383 3.2070 3.2516 3.9496 3.9971 4.9169 4.9855 5.1468 5.1553 7.7408 7.7680 8.1686 8.2882 8.8319 9.6098 9.7190 10.4348 k = 0.2018 0.2018 0.3350 ( 3304 PWs) bands (ev): -12.9802 -12.9737 -11.4120 -11.4036 -10.6559 -10.6466 -4.4976 -4.4895 -3.2768 -3.2758 0.1445 0.2369 1.5209 1.6107 2.0478 2.1436 2.2361 2.4350 2.7705 2.7787 3.2230 3.2703 3.9354 3.9867 4.8820 4.9533 5.1343 5.1418 7.6985 7.7443 8.1794 8.3034 8.8214 9.5946 9.6662 10.4084 k = 0.1930 0.1930 0.3350 ( 3300 PWs) bands (ev): -13.0092 -13.0029 -11.3951 -11.3872 -10.6656 -10.6565 -4.4848 -4.4768 -3.2260 -3.2248 0.1668 0.2510 1.4665 1.5412 2.0698 2.1811 2.2999 2.4828 2.8086 2.8205 3.2416 3.2916 3.9213 3.9768 4.8457 4.9196 5.1207 5.1271 7.6464 7.7119 8.1893 8.3144 8.8209 9.5838 9.6189 10.3835 k = 0.1842 0.1842 0.3350 ( 3300 PWs) bands (ev): -13.0373 -13.0314 -11.3784 -11.3708 -10.6750 -10.6662 -4.4722 -4.4645 -3.1772 -3.1758 0.1900 0.2661 1.4105 1.4732 2.0937 2.2201 2.3640 2.5317 2.8456 2.8637 3.2629 3.3157 3.9075 3.9672 4.8081 4.8845 5.1058 5.1112 7.5861 7.6710 8.1980 8.3210 8.8287 9.5768 9.5780 10.3607 k = 0.1754 0.1754 0.3350 ( 3300 PWs) bands (ev): -13.0646 -13.0591 -11.3617 -11.3546 -10.6843 -10.6757 -4.4601 -4.4525 -3.1304 -3.1289 0.2137 0.2819 1.3542 1.4071 2.1194 2.2600 2.4280 2.5806 2.8814 2.9080 3.2869 3.3423 3.8940 3.9582 4.7693 4.8480 5.0896 5.0941 7.5195 7.6224 8.2053 8.3231 8.8429 9.5392 9.5775 10.3407 k = 0.1667 0.1667 0.3350 ( 3300 PWs) bands (ev): -13.0910 -13.0858 -11.3453 -11.3385 -10.6932 -10.6850 -4.4483 -4.4410 -3.0858 -3.0841 0.2378 0.2981 1.2987 1.3433 2.1469 2.3005 2.4916 2.6290 2.9160 2.9531 3.3134 3.3714 3.8809 3.9498 4.7295 4.8104 5.0720 5.0756 7.4482 7.5672 8.2110 8.3207 8.8619 9.5056 9.5825 10.3238 k = 0.1579 0.1579 0.3350 ( 3300 PWs) bands (ev): -13.1165 -13.1116 -11.3291 -11.3227 -10.7019 -10.6939 -4.4370 -4.4299 -3.0433 -3.0415 0.2619 0.3146 1.2448 1.2821 2.1760 2.3412 2.5542 2.6766 2.9494 2.9985 3.3427 3.4029 3.8684 3.9420 4.6888 4.7716 5.0531 5.0558 7.3741 7.5064 8.2148 8.3142 8.8841 9.4751 9.5930 10.3105 k = 0.1491 0.1491 0.3350 ( 3300 PWs) bands (ev): -13.1409 -13.1363 -11.3134 -11.3073 -10.7102 -10.7026 -4.4261 -4.4193 -3.0031 -3.0012 0.2859 0.3310 1.1929 1.2240 2.2068 2.3819 2.6154 2.7229 2.9815 3.0435 3.3748 3.4367 3.8566 3.9350 4.6475 4.7319 5.0327 5.0346 7.2984 7.4411 8.2164 8.3038 8.9081 9.4473 9.6092 10.3007 k = 0.1404 0.1404 0.3350 ( 3304 PWs) bands (ev): -13.1642 -13.1599 -11.2980 -11.2924 -10.7182 -10.7109 -4.4157 -4.4092 -2.9652 -2.9632 0.3092 0.3470 1.1437 1.1690 2.2392 2.4224 2.6748 2.7678 3.0124 3.0872 3.4099 3.4728 3.8458 3.9289 4.6057 4.6914 5.0109 5.0120 7.2223 7.3726 8.2157 8.2900 8.9328 9.4216 9.6308 10.2945 k = 0.1316 0.1316 0.3350 ( 3300 PWs) bands (ev): -13.1863 -13.1823 -11.2832 -11.2779 -10.7258 -10.7189 -4.4058 -4.3996 -2.9296 -2.9275 0.3317 0.3624 1.0976 1.1177 2.2732 2.4625 2.7320 2.8112 3.0419 3.1287 3.4483 3.5110 3.8362 3.9236 4.5637 4.6502 4.9875 4.9880 7.1470 7.3019 8.2125 8.2733 8.9574 9.3977 9.6575 10.2915 k = 0.1228 0.1228 0.3350 ( 3296 PWs) bands (ev): -13.2072 -13.2035 -11.2690 -11.2641 -10.7330 -10.7265 -4.3965 -4.3906 -2.8964 -2.8942 0.3529 0.3769 1.0549 1.0701 2.3086 2.5019 2.7864 2.8530 3.0701 3.1670 3.4898 3.5513 3.8281 3.9195 4.5215 4.6084 4.9626 4.9627 7.0733 7.2301 8.2070 8.2543 8.9814 9.3754 9.6888 10.2916 k = 0.1140 0.1140 0.3350 ( 3288 PWs) bands (ev): -13.2268 -13.2235 -11.2554 -11.2508 -10.7398 -10.7338 -4.3876 -4.3821 -2.8654 -2.8632 0.3725 0.3901 1.0159 1.0267 2.3453 2.5405 2.8376 2.8930 3.0969 3.2013 3.5345 3.5935 3.8221 3.9164 4.4795 4.5663 4.9358 4.9365 7.0020 7.1583 8.1991 8.2336 9.0042 9.3545 9.7242 10.2940 k = 0.1053 0.1053 0.3350 ( 3284 PWs) bands (ev): -13.2452 -13.2421 -11.2425 -11.2383 -10.7462 -10.7405 -4.3794 -4.3742 -2.8369 -2.8347 0.3900 0.4016 0.9811 0.9877 2.3832 2.5781 2.8852 2.9311 3.1224 3.2309 3.5818 3.6374 3.8186 3.9146 4.4379 4.5238 4.9078 4.9089 6.9339 7.0872 8.1890 8.2117 9.0257 9.3349 9.7631 10.2983 k = 0.0965 0.0965 0.3350 ( 3280 PWs) bands (ev): -13.2622 -13.2594 -11.2304 -11.2266 -10.7521 -10.7469 -4.3717 -4.3669 -2.8107 -2.8085 0.4051 0.4114 0.9505 0.9533 2.4221 2.6143 2.9285 2.9671 3.1466 3.2555 3.6312 3.6827 3.8182 3.9142 4.3970 4.4812 4.8786 4.8800 6.8696 7.0178 8.1771 8.1894 9.0456 9.3167 9.8048 10.3039 k = 0.0877 0.0877 0.3350 ( 3276 PWs) bands (ev): -13.2779 -13.2753 -11.2192 -11.2157 -10.7576 -10.7528 -4.3647 -4.3602 -2.7868 -2.7847 0.4175 0.4190 0.9238 0.9242 2.4617 2.6488 2.9674 3.0007 3.1695 3.2749 3.6813 3.7291 3.8218 3.9153 4.3569 4.4385 4.8483 4.8500 6.8097 6.9508 8.1636 8.1671 9.0640 9.2997 9.8486 10.3099 k = 0.0789 0.0789 0.3350 ( 3278 PWs) bands (ev): -13.2921 -13.2898 -11.2088 -11.2057 -10.7625 -10.7582 -4.3582 -4.3542 -2.7653 -2.7633 0.4246 0.4270 0.8993 0.9023 2.5018 2.6813 3.0015 3.0316 3.1913 3.2893 3.7303 3.7760 3.8308 3.9181 4.3180 4.3961 4.8171 4.8189 6.7548 6.8869 8.1455 8.1489 9.0808 9.2841 9.8939 10.3157 k = 0.0702 0.0702 0.3350 ( 3282 PWs) bands (ev): -13.3049 -13.3029 -11.1994 -11.1966 -10.7670 -10.7631 -4.3524 -4.3488 -2.7461 -2.7442 0.4282 0.4334 0.8796 0.8846 2.5420 2.7114 3.0305 3.0592 3.2118 3.2991 3.7749 3.8225 3.8479 3.9229 4.2805 4.3539 4.7853 4.7871 6.7052 6.8268 8.1250 8.1336 9.0963 9.2696 9.9399 10.3205 k = 0.0614 0.0614 0.3350 ( 3278 PWs) bands (ev): -13.3162 -13.3144 -11.1909 -11.1885 -10.7709 -10.7675 -4.3472 -4.3440 -2.7292 -2.7275 0.4300 0.4371 0.8645 0.8707 2.5819 2.7387 3.0547 3.0831 3.2310 3.3051 3.8104 3.8672 3.8768 3.9306 4.2448 4.3122 4.7532 4.7550 6.6615 6.7712 8.1062 8.1181 9.1103 9.2563 9.9858 10.3236 k = 0.0526 0.0526 0.3350 ( 3276 PWs) bands (ev): -13.3261 -13.3245 -11.1835 -11.1814 -10.7743 -10.7713 -4.3426 -4.3399 -2.7146 -2.7131 0.4304 0.4384 0.8535 0.8602 2.6209 2.7625 3.0743 3.1026 3.2486 3.3082 3.8373 3.9056 3.9157 3.9447 4.2110 4.2713 4.7214 4.7230 6.6241 6.7205 8.0893 8.1030 9.1232 9.2439 10.0310 10.3244 k = 0.0439 0.0439 0.3350 ( 3268 PWs) bands (ev): -13.3344 -13.3331 -11.1771 -11.1754 -10.7771 -10.7747 -4.3387 -4.3364 -2.7022 -2.7009 0.4298 0.4379 0.8460 0.8525 2.6585 2.7822 3.0897 3.1172 3.2644 3.3096 3.8613 3.9293 3.9577 3.9727 4.1796 4.2315 4.6905 4.6919 6.5932 6.6753 8.0749 8.0888 9.1350 9.2325 10.0748 10.3222 k = 0.0351 0.0351 0.3350 ( 3268 PWs) bands (ev): -13.3412 -13.3402 -11.1718 -11.1705 -10.7794 -10.7774 -4.3355 -4.3336 -2.6921 -2.6910 0.4288 0.4361 0.8412 0.8469 2.6939 2.7971 3.1016 3.1267 3.2780 3.3102 3.8854 3.9433 3.9975 4.0077 4.1511 4.1932 4.6616 4.6627 6.5692 6.6360 8.0632 8.0759 9.1459 9.2219 10.1165 10.3164 k = 0.0263 0.0263 0.3350 ( 3264 PWs) bands (ev): -13.3465 -13.3458 -11.1677 -11.1666 -10.7812 -10.7797 -4.3329 -4.3315 -2.6842 -2.6833 0.4277 0.4337 0.8384 0.8431 2.7263 2.8065 3.1106 3.1316 3.2893 3.3106 3.9100 3.9550 4.0321 4.0402 4.1263 4.1572 4.6360 4.6368 6.5523 6.6031 8.0543 8.0649 9.1561 9.2119 10.1554 10.3066 k = 0.0175 0.0175 0.3350 ( 3260 PWs) bands (ev): -13.3503 -13.3498 -11.1646 -11.1639 -10.7823 -10.7813 -4.3309 -4.3300 -2.6785 -2.6779 0.4270 0.4312 0.8372 0.8404 2.7546 2.8096 3.1176 3.1325 3.2980 3.3107 3.9344 3.9652 4.0583 4.0658 4.1071 4.1254 4.6155 4.6161 6.5426 6.5768 8.0485 8.0560 9.1658 9.2024 10.1911 10.2925 k = 0.0088 0.0088 0.3350 ( 3268 PWs) bands (ev): -13.3525 -13.3522 -11.1627 -11.1624 -10.7829 -10.7824 -4.3297 -4.3293 -2.6751 -2.6748 0.4269 0.4291 0.8369 0.8386 2.7779 2.8059 3.1231 3.1309 3.3042 3.3101 3.9557 3.9715 4.0720 4.0801 4.0979 4.1025 4.6021 4.6024 6.5403 6.5575 8.0459 8.0498 9.1750 9.1932 10.2229 10.2738 k = 0.0000 0.0000 0.3350 ( 3272 PWs) bands (ev): -13.3531 -13.3531 -11.1620 -11.1620 -10.7830 -10.7830 -4.3292 -4.3292 -2.6738 -2.6738 0.4276 0.4276 0.8374 0.8374 2.7952 2.7952 3.1275 3.1275 3.3081 3.3081 3.9693 3.9693 4.0774 4.0774 4.0973 4.0973 4.5976 4.5976 6.5452 6.5452 8.0463 8.0463 9.1841 9.1841 10.2506 10.2506 k = 0.0000 0.5000-0.0000 ( 3280 PWs) bands (ev): -12.5618 -12.5618 -11.9421 -11.9421 -10.4307 -10.4307 -4.2373 -4.2373 -3.8634 -3.8634 0.9141 0.9141 1.2025 1.2025 1.6535 1.6535 2.0767 2.0767 2.1230 2.1230 3.4996 3.4996 4.1634 4.1634 4.8119 4.8119 5.2857 5.2857 7.5112 7.5112 8.6852 8.6852 9.6332 9.6332 10.5414 10.5414 k = 0.0000 0.5000 0.0124 ( 3276 PWs) bands (ev): -12.5618 -12.5618 -11.9419 -11.9419 -10.4312 -10.4312 -4.2374 -4.2374 -3.8629 -3.8629 0.9143 0.9143 1.2029 1.2029 1.6539 1.6539 2.0765 2.0765 2.1241 2.1241 3.4967 3.4967 4.1629 4.1629 4.8124 4.8124 5.2853 5.2853 7.5120 7.5120 8.6851 8.6851 9.6325 9.6325 10.5430 10.5430 k = 0.0000 0.5000 0.0248 ( 3286 PWs) bands (ev): -12.5617 -12.5617 -11.9410 -11.9410 -10.4326 -10.4326 -4.2381 -4.2381 -3.8614 -3.8614 0.9150 0.9150 1.2042 1.2042 1.6550 1.6550 2.0758 2.0758 2.1272 2.1272 3.4882 3.4882 4.1614 4.1614 4.8138 4.8138 5.2840 5.2840 7.5144 7.5144 8.6848 8.6848 9.6304 9.6304 10.5477 10.5477 k = 0.0000 0.5000 0.0372 ( 3280 PWs) bands (ev): -12.5617 -12.5617 -11.9397 -11.9397 -10.4350 -10.4350 -4.2390 -4.2390 -3.8588 -3.8588 0.9161 0.9161 1.2065 1.2065 1.6569 1.6569 2.0749 2.0749 2.1321 2.1321 3.4741 3.4741 4.1588 4.1588 4.8162 4.8162 5.2819 5.2819 7.5185 7.5185 8.6845 8.6845 9.6269 9.6269 10.5554 10.5554 k = 0.0000 0.5000 0.0496 ( 3280 PWs) bands (ev): -12.5616 -12.5616 -11.9378 -11.9378 -10.4383 -10.4383 -4.2403 -4.2403 -3.8552 -3.8552 0.9176 0.9176 1.2097 1.2097 1.6595 1.6595 2.0741 2.0741 2.1384 2.1384 3.4547 3.4547 4.1554 4.1554 4.8193 4.8193 5.2790 5.2790 7.5241 7.5241 8.6839 8.6839 9.6222 9.6222 10.5658 10.5658 k = 0.0000 0.5000 0.0620 ( 3284 PWs) bands (ev): -12.5614 -12.5614 -11.9354 -11.9354 -10.4425 -10.4425 -4.2420 -4.2420 -3.8507 -3.8507 0.9193 0.9193 1.2140 1.2140 1.6627 1.6627 2.0735 2.0735 2.1460 2.1460 3.4302 3.4302 4.1510 4.1510 4.8230 4.8230 5.2754 5.2754 7.5311 7.5311 8.6833 8.6833 9.6163 9.6163 10.5786 10.5786 k = 0.0000 0.5000 0.0745 ( 3284 PWs) bands (ev): -12.5613 -12.5613 -11.9325 -11.9325 -10.4475 -10.4475 -4.2440 -4.2440 -3.8454 -3.8454 0.9213 0.9213 1.2195 1.2195 1.6666 1.6666 2.0732 2.0732 2.1545 2.1545 3.4012 3.4012 4.1457 4.1457 4.8272 4.8272 5.2712 5.2712 7.5395 7.5395 8.6826 8.6826 9.6096 9.6096 10.5932 10.5932 k = 0.0000 0.5000 0.0869 ( 3286 PWs) bands (ev): -12.5611 -12.5611 -11.9292 -11.9292 -10.4533 -10.4533 -4.2463 -4.2463 -3.8392 -3.8392 0.9234 0.9234 1.2262 1.2262 1.6711 1.6711 2.0734 2.0734 2.1639 2.1639 3.3679 3.3679 4.1397 4.1397 4.8315 4.8315 5.2664 5.2664 7.5491 7.5491 8.6819 8.6819 9.6021 9.6021 10.6092 10.6092 k = 0.0000 0.5000 0.0993 ( 3288 PWs) bands (ev): -12.5609 -12.5609 -11.9255 -11.9255 -10.4598 -10.4598 -4.2489 -4.2489 -3.8324 -3.8324 0.9254 0.9254 1.2343 1.2343 1.6761 1.6761 2.0740 2.0740 2.1741 2.1741 3.3308 3.3308 4.1329 4.1329 4.8359 4.8359 5.2612 5.2612 7.5598 7.5598 8.6811 8.6811 9.5940 9.5940 10.6258 10.6258 k = 0.0000 0.5000 0.1117 ( 3290 PWs) bands (ev): -12.5606 -12.5606 -11.9214 -11.9214 -10.4669 -10.4669 -4.2517 -4.2517 -3.8249 -3.8249 0.9274 0.9274 1.2438 1.2438 1.6817 1.6817 2.0751 2.0751 2.1847 2.1847 3.2904 3.2904 4.1255 4.1255 4.8402 4.8402 5.2555 5.2555 7.5714 7.5714 8.6803 8.6803 9.5854 9.5854 10.6425 10.6425 k = 0.0000 0.5000 0.1241 ( 3276 PWs) bands (ev): -12.5604 -12.5604 -11.9170 -11.9170 -10.4745 -10.4745 -4.2547 -4.2547 -3.8168 -3.8168 0.9293 0.9293 1.2548 1.2548 1.6877 1.6877 2.0765 2.0765 2.1958 2.1958 3.2470 3.2470 4.1176 4.1176 4.8442 4.8442 5.2496 5.2496 7.5839 7.5839 8.6796 8.6796 9.5766 9.5766 10.6586 10.6586 k = 0.0000 0.5000 0.1365 ( 3276 PWs) bands (ev): -12.5601 -12.5601 -11.9123 -11.9123 -10.4825 -10.4825 -4.2578 -4.2578 -3.8084 -3.8084 0.9309 0.9309 1.2672 1.2672 1.6943 1.6943 2.0784 2.0784 2.2072 2.2072 3.2013 3.2013 4.1093 4.1093 4.8479 4.8479 5.2436 5.2436 7.5969 7.5969 8.6789 8.6789 9.5677 9.5677 10.6733 10.6733 k = 0.0000 0.5000 0.1489 ( 3276 PWs) bands (ev): -12.5599 -12.5599 -11.9073 -11.9073 -10.4909 -10.4909 -4.2611 -4.2611 -3.7996 -3.7996 0.9323 0.9323 1.2810 1.2810 1.7014 1.7014 2.0805 2.0805 2.2187 2.2187 3.1536 3.1536 4.1007 4.1007 4.8511 4.8511 5.2374 5.2374 7.6103 7.6103 8.6783 8.6783 9.5588 9.5588 10.6861 10.6861 k = 0.0000 0.5000 0.1613 ( 3280 PWs) bands (ev): -12.5596 -12.5596 -11.9023 -11.9023 -10.4995 -10.4995 -4.2644 -4.2644 -3.7907 -3.7907 0.9334 0.9334 1.2960 1.2960 1.7090 1.7090 2.0829 2.0829 2.2303 2.2303 3.1044 3.1044 4.0918 4.0918 4.8539 4.8539 5.2313 5.2313 7.6239 7.6239 8.6777 8.6777 9.5500 9.5500 10.6968 10.6968 k = 0.0000 0.5000 0.1737 ( 3280 PWs) bands (ev): -12.5593 -12.5593 -11.8971 -11.8971 -10.5081 -10.5081 -4.2677 -4.2677 -3.7817 -3.7817 0.9343 0.9343 1.3120 1.3120 1.7172 1.7172 2.0854 2.0854 2.2417 2.2417 3.0542 3.0542 4.0829 4.0829 4.8561 4.8561 5.2253 5.2253 7.6376 7.6376 8.6773 8.6773 9.5415 9.5415 10.7052 10.7052 k = 0.0000 0.5000 0.1861 ( 3288 PWs) bands (ev): -12.5590 -12.5590 -11.8919 -11.8919 -10.5168 -10.5168 -4.2710 -4.2710 -3.7728 -3.7728 0.9350 0.9350 1.3289 1.3289 1.7260 1.7260 2.0881 2.0881 2.2529 2.2529 3.0035 3.0035 4.0740 4.0740 4.8579 4.8579 5.2195 5.2195 7.6512 7.6512 8.6769 8.6769 9.5333 9.5333 10.7115 10.7115 k = 0.0000 0.5000 0.1985 ( 3296 PWs) bands (ev): -12.5588 -12.5588 -11.8868 -11.8868 -10.5254 -10.5254 -4.2743 -4.2743 -3.7641 -3.7641 0.9354 0.9354 1.3463 1.3463 1.7356 1.7356 2.0908 2.0908 2.2636 2.2636 2.9528 2.9528 4.0652 4.0652 4.8591 4.8591 5.2139 5.2139 7.6644 7.6644 8.6766 8.6766 9.5255 9.5255 10.7161 10.7161 k = 0.0000 0.5000 0.2110 ( 3300 PWs) bands (ev): -12.5585 -12.5585 -11.8818 -11.8818 -10.5337 -10.5337 -4.2774 -4.2774 -3.7557 -3.7557 0.9356 0.9356 1.3639 1.3639 1.7459 1.7459 2.0934 2.0934 2.2739 2.2739 2.9027 2.9027 4.0568 4.0568 4.8600 4.8600 5.2087 5.2087 7.6772 7.6772 8.6763 8.6763 9.5181 9.5181 10.7191 10.7191 k = 0.0000 0.5000 0.2234 ( 3296 PWs) bands (ev): -12.5583 -12.5583 -11.8769 -11.8769 -10.5416 -10.5416 -4.2803 -4.2803 -3.7477 -3.7477 0.9357 0.9357 1.3813 1.3813 1.7569 1.7569 2.0959 2.0959 2.2835 2.2835 2.8537 2.8537 4.0487 4.0487 4.8605 4.8605 5.2038 5.2038 7.6893 7.6893 8.6762 8.6762 9.5114 9.5114 10.7211 10.7211 k = 0.0000 0.5000 0.2358 ( 3300 PWs) bands (ev): -12.5580 -12.5580 -11.8724 -11.8724 -10.5491 -10.5491 -4.2831 -4.2831 -3.7402 -3.7402 0.9357 0.9357 1.3981 1.3981 1.7688 1.7688 2.0981 2.0981 2.2923 2.2923 2.8065 2.8065 4.0411 4.0411 4.8607 4.8607 5.1994 5.1994 7.7005 7.7005 8.6761 8.6761 9.5052 9.5052 10.7222 10.7222 k = 0.0000 0.5000 0.2482 ( 3296 PWs) bands (ev): -12.5578 -12.5578 -11.8682 -11.8682 -10.5560 -10.5560 -4.2856 -4.2856 -3.7333 -3.7333 0.9356 0.9356 1.4139 1.4139 1.7813 1.7813 2.1001 2.1001 2.3002 2.3002 2.7618 2.7618 4.0342 4.0342 4.8607 4.8607 5.1954 5.1954 7.7109 7.7109 8.6760 8.6760 9.4996 9.4996 10.7228 10.7228 k = 0.0000 0.5000 0.2606 ( 3296 PWs) bands (ev): -12.5576 -12.5576 -11.8644 -11.8644 -10.5622 -10.5622 -4.2879 -4.2879 -3.7271 -3.7271 0.9354 0.9354 1.4283 1.4283 1.7942 1.7942 2.1016 2.1016 2.3071 2.3071 2.7204 2.7204 4.0279 4.0279 4.8605 4.8605 5.1919 5.1919 7.7201 7.7201 8.6760 8.6760 9.4948 9.4948 10.7230 10.7230 k = 0.0000 0.5000 0.2730 ( 3304 PWs) bands (ev): -12.5575 -12.5575 -11.8610 -11.8610 -10.5676 -10.5676 -4.2899 -4.2899 -3.7217 -3.7217 0.9352 0.9352 1.4410 1.4410 1.8071 1.8071 2.1028 2.1028 2.3129 2.3129 2.6830 2.6830 4.0225 4.0225 4.8602 4.8602 5.1889 5.1889 7.7281 7.7281 8.6760 8.6760 9.4906 9.4906 10.7229 10.7229 k = 0.0000 0.5000 0.2854 ( 3300 PWs) bands (ev): -12.5573 -12.5573 -11.8582 -11.8582 -10.5722 -10.5722 -4.2915 -4.2915 -3.7172 -3.7172 0.9350 0.9350 1.4517 1.4517 1.8195 1.8195 2.1035 2.1035 2.3176 2.3176 2.6507 2.6507 4.0179 4.0179 4.8598 4.8598 5.1864 5.1864 7.7348 7.7348 8.6760 8.6760 9.4872 9.4872 10.7228 10.7228 k = 0.0000 0.5000 0.2978 ( 3308 PWs) bands (ev): -12.5572 -12.5572 -11.8559 -11.8559 -10.5758 -10.5758 -4.2928 -4.2928 -3.7137 -3.7137 0.9349 0.9349 1.4602 1.4602 1.8305 1.8305 2.1039 2.1039 2.3211 2.3211 2.6243 2.6243 4.0143 4.0143 4.8595 4.8595 5.1845 5.1845 7.7401 7.7401 8.6760 8.6760 9.4845 9.4845 10.7226 10.7226 k = 0.0000 0.5000 0.3102 ( 3300 PWs) bands (ev): -12.5571 -12.5571 -11.8543 -11.8543 -10.5784 -10.5784 -4.2937 -4.2937 -3.7111 -3.7111 0.9348 0.9348 1.4664 1.4664 1.8392 1.8392 2.1040 2.1040 2.3235 2.3235 2.6048 2.6048 4.0117 4.0117 4.8593 4.8593 5.1831 5.1831 7.7440 7.7440 8.6761 8.6761 9.4826 9.4826 10.7224 10.7224 k = 0.0000 0.5000 0.3226 ( 3302 PWs) bands (ev): -12.5571 -12.5571 -11.8533 -11.8533 -10.5800 -10.5800 -4.2943 -4.2943 -3.7095 -3.7095 0.9347 0.9347 1.4701 1.4701 1.8449 1.8449 2.1040 2.1040 2.3249 2.3249 2.5927 2.5927 4.0101 4.0101 4.8591 4.8591 5.1822 5.1822 7.7463 7.7463 8.6761 8.6761 9.4814 9.4814 10.7223 10.7223 k = 0.0000 0.5000 0.3350 ( 3296 PWs) bands (ev): -12.5571 -12.5571 -11.8530 -11.8530 -10.5805 -10.5805 -4.2945 -4.2945 -3.7090 -3.7090 0.9347 0.9347 1.4714 1.4714 1.8469 1.8469 2.1040 2.1040 2.3254 2.3254 2.5887 2.5887 4.0096 4.0096 4.8591 4.8591 5.1820 5.1820 7.7471 7.7471 8.6761 8.6761 9.4810 9.4810 10.7222 10.7222 k = 0.5000 0.5000-0.0000 ( 3312 PWs) bands (ev): -12.3174 -12.3174 -11.6545 -11.6545 -10.2841 -10.2841 -4.8600 -4.8600 -4.8597 -4.8597 0.6787 0.6787 0.6871 0.6871 1.3433 1.3433 1.3490 1.3490 4.2645 4.2645 4.2703 4.2703 4.8865 4.8865 4.8896 4.8896 4.8965 4.8965 5.3944 5.3944 7.9678 7.9678 10.1122 10.1122 11.1862 11.1862 k = 0.5000 0.5000 0.0124 ( 3308 PWs) bands (ev): -12.3174 -12.3174 -11.6543 -11.6543 -10.2845 -10.2845 -4.8599 -4.8599 -4.8596 -4.8596 0.6754 0.6754 0.6914 0.6914 1.3421 1.3421 1.3489 1.3489 4.2644 4.2644 4.2702 4.2702 4.8861 4.8861 4.8880 4.8880 4.8954 4.8954 5.3973 5.3973 7.9723 7.9723 10.1082 10.1082 11.1864 11.1864 k = 0.5000 0.5000 0.0248 ( 3308 PWs) bands (ev): -12.3174 -12.3174 -11.6535 -11.6535 -10.2857 -10.2857 -4.8596 -4.8596 -4.8593 -4.8593 0.6701 0.6701 0.6996 0.6996 1.3386 1.3386 1.3483 1.3483 4.2642 4.2642 4.2700 4.2700 4.8689 4.8689 4.8926 4.8926 4.8992 4.8992 5.4062 5.4062 7.9859 7.9859 10.0963 10.0963 11.1873 11.1873 k = 0.5000 0.5000 0.0372 ( 3308 PWs) bands (ev): -12.3174 -12.3174 -11.6522 -11.6522 -10.2877 -10.2877 -4.8592 -4.8592 -4.8589 -4.8589 0.6643 0.6643 0.7102 0.7102 1.3335 1.3335 1.3469 1.3469 4.2639 4.2639 4.2696 4.2696 4.8391 4.8391 4.9002 4.9002 4.9070 4.9070 5.4209 5.4209 8.0077 8.0077 10.0768 10.0768 11.1885 11.1885 k = 0.5000 0.5000 0.0496 ( 3308 PWs) bands (ev): -12.3173 -12.3173 -11.6504 -11.6504 -10.2904 -10.2904 -4.8587 -4.8587 -4.8583 -4.8583 0.6579 0.6579 0.7231 0.7231 1.3267 1.3267 1.3449 1.3449 4.2634 4.2634 4.2692 4.2692 4.7982 4.7982 4.9106 4.9106 4.9178 4.9178 5.4416 5.4416 8.0369 8.0369 10.0506 10.0506 11.1901 11.1901 k = 0.5000 0.5000 0.0620 ( 3316 PWs) bands (ev): -12.3172 -12.3172 -11.6482 -11.6482 -10.2939 -10.2939 -4.8580 -4.8580 -4.8576 -4.8576 0.6508 0.6508 0.7383 0.7383 1.3185 1.3185 1.3425 1.3425 4.2628 4.2628 4.2686 4.2686 4.7470 4.7470 4.9238 4.9238 4.9315 4.9315 5.4680 5.4680 8.0720 8.0720 10.0186 10.0186 11.1918 11.1918 k = 0.5000 0.5000 0.0745 ( 3324 PWs) bands (ev): -12.3172 -12.3172 -11.6455 -11.6455 -10.2981 -10.2981 -4.8571 -4.8571 -4.8568 -4.8568 0.6430 0.6430 0.7557 0.7557 1.3089 1.3089 1.3402 1.3402 4.2621 4.2621 4.2679 4.2679 4.6867 4.6867 4.9395 4.9395 4.9478 4.9478 5.5000 5.5000 8.1114 8.1114 9.9819 9.9819 11.1935 11.1935 k = 0.5000 0.5000 0.0869 ( 3316 PWs) bands (ev): -12.3171 -12.3171 -11.6424 -11.6424 -10.3029 -10.3029 -4.8561 -4.8561 -4.8558 -4.8558 0.6343 0.6343 0.7750 0.7750 1.2982 1.2982 1.3383 1.3383 4.2614 4.2614 4.2671 4.2671 4.6183 4.6183 4.9576 4.9576 4.9664 4.9664 5.5376 5.5376 8.1532 8.1532 9.9423 9.9423 11.1950 11.1950 k = 0.5000 0.5000 0.0993 ( 3300 PWs) bands (ev): -12.3169 -12.3169 -11.6389 -11.6389 -10.3082 -10.3082 -4.8549 -4.8549 -4.8546 -4.8546 0.6250 0.6250 0.7957 0.7957 1.2864 1.2864 1.3377 1.3377 4.2605 4.2605 4.2664 4.2664 4.5429 4.5429 4.9776 4.9776 4.9870 4.9870 5.5806 5.5806 8.1952 8.1952 9.9014 9.9014 11.1959 11.1959 k = 0.5000 0.5000 0.1117 ( 3312 PWs) bands (ev): -12.3168 -12.3168 -11.6350 -11.6350 -10.3141 -10.3141 -4.8538 -4.8538 -4.8534 -4.8534 0.6150 0.6150 0.8171 0.8171 1.2737 1.2737 1.3391 1.3391 4.2594 4.2594 4.2656 4.2656 4.4618 4.4618 4.9995 4.9995 5.0092 5.0092 5.6287 5.6287 8.2349 8.2349 9.8614 9.8614 11.1961 11.1961 k = 0.5000 0.5000 0.1241 ( 3320 PWs) bands (ev): -12.3167 -12.3167 -11.6309 -11.6309 -10.3205 -10.3205 -4.8525 -4.8525 -4.8522 -4.8522 0.6045 0.6045 0.8386 0.8386 1.2604 1.2604 1.3433 1.3433 4.2577 4.2577 4.2648 4.2648 4.3763 4.3763 5.0227 5.0227 5.0329 5.0329 5.6817 5.6817 8.2698 8.2698 9.8248 9.8248 11.1952 11.1952 k = 0.5000 0.5000 0.1365 ( 3336 PWs) bands (ev): -12.3166 -12.3166 -11.6265 -11.6265 -10.3272 -10.3272 -4.8512 -4.8512 -4.8508 -4.8508 0.5936 0.5936 0.8591 0.8591 1.2465 1.2465 1.3514 1.3514 4.2509 4.2509 4.2638 4.2638 4.2921 4.2921 5.0470 5.0470 5.0575 5.0575 5.7394 5.7394 8.2972 8.2972 9.7940 9.7940 11.1930 11.1930 k = 0.5000 0.5000 0.1489 ( 3328 PWs) bands (ev): -12.3165 -12.3165 -11.6218 -11.6218 -10.3342 -10.3342 -4.8497 -4.8497 -4.8494 -4.8494 0.5824 0.5824 0.8777 0.8777 1.2323 1.2323 1.3643 1.3643 4.1859 4.1859 4.2615 4.2615 4.2644 4.2644 5.0722 5.0722 5.0829 5.0829 5.8015 5.8015 8.3142 8.3142 9.7719 9.7719 11.1892 11.1892 k = 0.5000 0.5000 0.1613 ( 3336 PWs) bands (ev): -12.3163 -12.3163 -11.6171 -11.6171 -10.3414 -10.3414 -4.8483 -4.8483 -4.8480 -4.8480 0.5712 0.5712 0.8936 0.8936 1.2179 1.2179 1.3830 1.3830 4.0921 4.0921 4.2593 4.2593 4.2630 4.2630 5.0977 5.0977 5.1086 5.1086 5.8678 5.8678 8.3186 8.3186 9.7604 9.7604 11.1835 11.1835 k = 0.5000 0.5000 0.1737 ( 3336 PWs) bands (ev): -12.3162 -12.3162 -11.6122 -11.6122 -10.3486 -10.3486 -4.8468 -4.8468 -4.8465 -4.8465 0.5600 0.5600 0.9063 0.9063 1.2036 1.2036 1.4079 1.4079 3.9952 3.9952 4.2582 4.2582 4.2622 4.2622 5.1232 5.1232 5.1343 5.1343 5.9379 5.9379 8.3089 8.3089 9.7612 9.7612 11.1755 11.1755 k = 0.5000 0.5000 0.1861 ( 3336 PWs) bands (ev): -12.3160 -12.3160 -11.6074 -11.6074 -10.3559 -10.3559 -4.8454 -4.8454 -4.8451 -4.8451 0.5490 0.5490 0.9155 0.9155 1.1896 1.1896 1.4391 1.4391 3.8973 3.8973 4.2573 4.2573 4.2616 4.2616 5.1485 5.1485 5.1597 5.1597 6.0116 6.0116 8.2846 8.2846 9.7747 9.7747 11.1650 11.1650 k = 0.5000 0.5000 0.1985 ( 3332 PWs) bands (ev): -12.3159 -12.3159 -11.6026 -11.6026 -10.3631 -10.3631 -4.8439 -4.8439 -4.8436 -4.8436 0.5383 0.5383 0.9213 0.9213 1.1760 1.1760 1.4764 1.4764 3.7992 3.7992 4.2566 4.2566 4.2610 4.2610 5.1732 5.1732 5.1844 5.1844 6.0885 6.0885 8.2461 8.2461 9.8004 9.8004 11.1516 11.1516 k = 0.5000 0.5000 0.2110 ( 3324 PWs) bands (ev): -12.3158 -12.3158 -11.5979 -11.5979 -10.3701 -10.3701 -4.8425 -4.8425 -4.8422 -4.8422 0.5280 0.5280 0.9243 0.9243 1.1630 1.1630 1.5190 1.5190 3.7018 3.7018 4.2560 4.2560 4.2605 4.2605 5.1969 5.1969 5.2081 5.2081 6.1682 6.1682 8.1951 8.1951 9.8367 9.8367 11.1351 11.1351 k = 0.5000 0.5000 0.2234 ( 3324 PWs) bands (ev): -12.3156 -12.3156 -11.5934 -11.5934 -10.3767 -10.3767 -4.8412 -4.8412 -4.8409 -4.8409 0.5184 0.5184 0.9250 0.9250 1.1507 1.1507 1.5661 1.5661 3.6060 3.6060 4.2555 4.2555 4.2600 4.2600 5.2194 5.2194 5.2305 5.2305 6.2501 6.2501 8.1336 8.1336 9.8817 9.8817 11.1153 11.1153 k = 0.5000 0.5000 0.2358 ( 3324 PWs) bands (ev): -12.3155 -12.3155 -11.5891 -11.5891 -10.3830 -10.3830 -4.8400 -4.8400 -4.8397 -4.8397 0.5094 0.5094 0.9240 0.9240 1.1393 1.1393 1.6163 1.6163 3.5127 3.5127 4.2551 4.2551 4.2596 4.2596 5.2403 5.2403 5.2514 5.2514 6.3339 6.3339 8.0637 8.0637 9.9330 9.9330 11.0923 11.0923 k = 0.5000 0.5000 0.2482 ( 3336 PWs) bands (ev): -12.3154 -12.3154 -11.5852 -11.5852 -10.3888 -10.3888 -4.8389 -4.8389 -4.8386 -4.8386 0.5013 0.5013 0.9218 0.9218 1.1290 1.1290 1.6685 1.6685 3.4229 3.4229 4.2547 4.2547 4.2593 4.2593 5.2594 5.2594 5.2705 5.2705 6.4186 6.4186 7.9879 7.9879 9.9884 9.9884 11.0663 11.0663 k = 0.5000 0.5000 0.2606 ( 3336 PWs) bands (ev): -12.3153 -12.3153 -11.5816 -11.5816 -10.3940 -10.3940 -4.8378 -4.8378 -4.8376 -4.8376 0.4940 0.4940 0.9191 0.9191 1.1198 1.1198 1.7211 1.7211 3.3382 3.3382 4.2543 4.2543 4.2590 4.2590 5.2765 5.2765 5.2875 5.2875 6.5034 6.5034 7.9084 7.9084 10.0455 10.0455 11.0378 11.0378 k = 0.5000 0.5000 0.2730 ( 3336 PWs) bands (ev): -12.3152 -12.3152 -11.5785 -11.5785 -10.3986 -10.3986 -4.8370 -4.8370 -4.8367 -4.8367 0.4877 0.4877 0.9161 0.9161 1.1118 1.1118 1.7723 1.7723 3.2599 3.2599 4.2541 4.2541 4.2587 4.2587 5.2913 5.2913 5.3023 5.3023 6.5867 6.5867 7.8279 7.8279 10.1019 10.1019 11.0076 11.0076 k = 0.5000 0.5000 0.2854 ( 3336 PWs) bands (ev): -12.3152 -12.3152 -11.5758 -11.5758 -10.4024 -10.4024 -4.8362 -4.8362 -4.8359 -4.8359 0.4825 0.4825 0.9133 0.9133 1.1052 1.1052 1.8200 1.8200 3.1903 3.1903 4.2538 4.2538 4.2585 4.2585 5.3036 5.3036 5.3146 5.3146 6.6666 6.6666 7.7493 7.7493 10.1552 10.1552 10.9771 10.9771 k = 0.5000 0.5000 0.2978 ( 3324 PWs) bands (ev): -12.3151 -12.3151 -11.5737 -11.5737 -10.4055 -10.4055 -4.8356 -4.8356 -4.8353 -4.8353 0.4783 0.4783 0.9109 0.9109 1.0999 1.0999 1.8617 1.8617 3.1316 3.1316 4.2537 4.2537 4.2583 4.2583 5.3134 5.3134 5.3244 5.3244 6.7397 6.7397 7.6765 7.6765 10.2024 10.2024 10.9485 10.9485 k = 0.5000 0.5000 0.3102 ( 3332 PWs) bands (ev): -12.3151 -12.3151 -11.5722 -11.5722 -10.4077 -10.4077 -4.8352 -4.8352 -4.8349 -4.8349 0.4753 0.4753 0.9090 0.9090 1.0962 1.0962 1.8945 1.8945 3.0866 3.0866 4.2535 4.2535 4.2582 4.2582 5.3205 5.3205 5.3314 5.3314 6.8010 6.8010 7.6152 7.6152 10.2401 10.2401 10.9245 10.9245 k = 0.5000 0.5000 0.3226 ( 3336 PWs) bands (ev): -12.3151 -12.3151 -11.5713 -11.5713 -10.4090 -10.4090 -4.8349 -4.8349 -4.8347 -4.8347 0.4735 0.4735 0.9078 0.9078 1.0939 1.0939 1.9156 1.9156 3.0582 3.0582 4.2534 4.2534 4.2582 4.2582 5.3248 5.3248 5.3357 5.3357 6.8431 6.8431 7.5728 7.5728 10.2647 10.2647 10.9081 10.9081 k = 0.5000 0.5000 0.3350 ( 3352 PWs) bands (ev): -12.3151 -12.3151 -11.5710 -11.5710 -10.4095 -10.4095 -4.8349 -4.8349 -4.8346 -4.8346 0.4729 0.4729 0.9074 0.9074 1.0931 1.0931 1.9229 1.9229 3.0485 3.0485 4.2534 4.2534 4.2581 4.2581 5.3262 5.3262 5.3371 5.3371 6.8584 6.8584 7.5575 7.5575 10.2734 10.2734 10.9023 10.9023 Writing output data file Bi2O3.save init_run : 0.17s CPU 0.43s WALL ( 1 calls) electrons : 219.52s CPU 221.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 219.52s CPU 221.87s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 368 calls) cegterg : 209.67s CPU 211.66s WALL ( 845 calls) Called by sum_band: Called by *egterg: h_psi : 132.80s CPU 139.81s WALL ( 15654 calls) s_psi : 2.79s CPU 3.13s WALL ( 15654 calls) g_psi : 0.25s CPU 0.32s WALL ( 14441 calls) cdiaghg : 59.57s CPU 55.44s WALL ( 14809 calls) cegterg:over : 8.04s CPU 8.49s WALL ( 14441 calls) cegterg:upda : 1.91s CPU 3.83s WALL ( 14441 calls) cegterg:last : 1.87s CPU 2.73s WALL ( 2317 calls) Called by h_psi: h_psi:vloc : 127.25s CPU 131.56s WALL ( 15654 calls) h_psi:vnl : 5.49s CPU 8.05s WALL ( 15654 calls) add_vuspsi : 2.59s CPU 3.11s WALL ( 15654 calls) General routines calbec : 2.89s CPU 4.91s WALL ( 15654 calls) fft : 0.02s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 126.02s CPU 126.78s WALL ( 1015704 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.08s WALL ( 736 calls) Parallel routines fft_scatter : 118.66s CPU 90.75s WALL ( 1015727 calls) PWSCF : 3m56.71s CPU 4m 3.41s WALL This run was terminated on: 14:34:52 17Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=