Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:27:12 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MnAlGe.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 38 11 1642 1642 255 Max 39 39 12 1649 1649 260 Sum 1389 1389 401 59187 59187 9235 bravais-lattice index = 14 lattice parameter (alat) = 7.3964 a.u. unit-cell volume = 613.3558 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.396388 celldm(2)= 1.000000 celldm(3)= 1.515841 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 1.515841 ) 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 0.659700 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Mn 15.00 54.93800 Mn( 1.00) Al 3.00 26.98150 Al( 1.00) 4 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] 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 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E 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 0.0122167), wk = 0.0027174 k( 145) = ( 0.0000000 0.0000000 0.0244333), wk = 0.0027174 k( 146) = ( 0.0000000 0.0000000 0.0366500), wk = 0.0027174 k( 147) = ( 0.0000000 0.0000000 0.0488667), wk = 0.0027174 k( 148) = ( 0.0000000 0.0000000 0.0610833), wk = 0.0027174 k( 149) = ( 0.0000000 0.0000000 0.0733000), wk = 0.0027174 k( 150) = ( 0.0000000 0.0000000 0.0855167), wk = 0.0027174 k( 151) = ( 0.0000000 0.0000000 0.0977333), wk = 0.0027174 k( 152) = ( 0.0000000 0.0000000 0.1099500), wk = 0.0027174 k( 153) = ( 0.0000000 0.0000000 0.1221667), wk = 0.0027174 k( 154) = ( 0.0000000 0.0000000 0.1343833), wk = 0.0027174 k( 155) = ( 0.0000000 0.0000000 0.1466000), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.1588167), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.1710333), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.1832500), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.1954667), wk = 0.0027174 k( 160) = ( 0.0000000 0.0000000 0.2076833), wk = 0.0027174 k( 161) = ( 0.0000000 0.0000000 0.2199000), wk = 0.0027174 k( 162) = ( 0.0000000 0.0000000 0.2321167), wk = 0.0027174 k( 163) = ( 0.0000000 0.0000000 0.2443333), wk = 0.0027174 k( 164) = ( 0.0000000 0.0000000 0.2565500), wk = 0.0027174 k( 165) = ( 0.0000000 0.0000000 0.2687667), wk = 0.0027174 k( 166) = ( 0.0000000 0.0000000 0.2809833), wk = 0.0027174 k( 167) = ( 0.0000000 0.0000000 0.2932000), wk = 0.0027174 k( 168) = ( 0.0000000 0.0000000 0.3054167), wk = 0.0027174 k( 169) = ( 0.0000000 0.0000000 0.3176333), wk = 0.0027174 k( 170) = ( 0.0000000 0.0000000 0.3298500), wk = 0.0027174 k( 171) = ( 0.0000000 0.0000000 0.3298500), wk = 0.0027174 k( 172) = ( 0.0000000 0.0121951 0.3298500), wk = 0.0027174 k( 173) = ( 0.0000000 0.0243902 0.3298500), wk = 0.0027174 k( 174) = ( 0.0000000 0.0365854 0.3298500), wk = 0.0027174 k( 175) = ( 0.0000000 0.0487805 0.3298500), wk = 0.0027174 k( 176) = ( 0.0000000 0.0609756 0.3298500), wk = 0.0027174 k( 177) = ( 0.0000000 0.0731707 0.3298500), wk = 0.0027174 k( 178) = ( 0.0000000 0.0853658 0.3298500), wk = 0.0027174 k( 179) = ( 0.0000000 0.0975610 0.3298500), wk = 0.0027174 k( 180) = ( 0.0000000 0.1097561 0.3298500), wk = 0.0027174 k( 181) = ( 0.0000000 0.1219512 0.3298500), wk = 0.0027174 k( 182) = ( 0.0000000 0.1341463 0.3298500), wk = 0.0027174 k( 183) = ( 0.0000000 0.1463415 0.3298500), wk = 0.0027174 k( 184) = ( 0.0000000 0.1585366 0.3298500), wk = 0.0027174 k( 185) = ( 0.0000000 0.1707317 0.3298500), wk = 0.0027174 k( 186) = ( 0.0000000 0.1829268 0.3298500), wk = 0.0027174 k( 187) = ( 0.0000000 0.1951219 0.3298500), wk = 0.0027174 k( 188) = ( 0.0000000 0.2073171 0.3298500), wk = 0.0027174 k( 189) = ( 0.0000000 0.2195122 0.3298500), wk = 0.0027174 k( 190) = ( 0.0000000 0.2317073 0.3298500), wk = 0.0027174 k( 191) = ( 0.0000000 0.2439024 0.3298500), wk = 0.0027174 k( 192) = ( 0.0000000 0.2560976 0.3298500), wk = 0.0027174 k( 193) = ( 0.0000000 0.2682927 0.3298500), wk = 0.0027174 k( 194) = ( 0.0000000 0.2804878 0.3298500), wk = 0.0027174 k( 195) = ( 0.0000000 0.2926829 0.3298500), wk = 0.0027174 k( 196) = ( 0.0000000 0.3048781 0.3298500), wk = 0.0027174 k( 197) = ( 0.0000000 0.3170732 0.3298500), wk = 0.0027174 k( 198) = ( 0.0000000 0.3292683 0.3298500), wk = 0.0027174 k( 199) = ( 0.0000000 0.3414634 0.3298500), wk = 0.0027174 k( 200) = ( 0.0000000 0.3536585 0.3298500), wk = 0.0027174 k( 201) = ( 0.0000000 0.3658537 0.3298500), wk = 0.0027174 k( 202) = ( 0.0000000 0.3780488 0.3298500), wk = 0.0027174 k( 203) = ( 0.0000000 0.3902439 0.3298500), wk = 0.0027174 k( 204) = ( 0.0000000 0.4024390 0.3298500), wk = 0.0027174 k( 205) = ( 0.0000000 0.4146341 0.3298500), wk = 0.0027174 k( 206) = ( 0.0000000 0.4268293 0.3298500), wk = 0.0027174 k( 207) = ( 0.0000000 0.4390244 0.3298500), wk = 0.0027174 k( 208) = ( 0.0000000 0.4512195 0.3298500), wk = 0.0027174 k( 209) = ( 0.0000000 0.4634146 0.3298500), wk = 0.0027174 k( 210) = ( 0.0000000 0.4756098 0.3298500), wk = 0.0027174 k( 211) = ( 0.0000000 0.4878049 0.3298500), wk = 0.0027174 k( 212) = ( 0.0000000 0.5000000 0.3298500), wk = 0.0027174 k( 213) = ( 0.0000000 0.5000000 0.3298500), wk = 0.0027174 k( 214) = ( 0.0121951 0.5000000 0.3298500), wk = 0.0027174 k( 215) = ( 0.0243902 0.5000000 0.3298500), wk = 0.0027174 k( 216) = ( 0.0365854 0.5000000 0.3298500), wk = 0.0027174 k( 217) = ( 0.0487805 0.5000000 0.3298500), wk = 0.0027174 k( 218) = ( 0.0609756 0.5000000 0.3298500), wk = 0.0027174 k( 219) = ( 0.0731707 0.5000000 0.3298500), wk = 0.0027174 k( 220) = ( 0.0853658 0.5000000 0.3298500), wk = 0.0027174 k( 221) = ( 0.0975610 0.5000000 0.3298500), wk = 0.0027174 k( 222) = ( 0.1097561 0.5000000 0.3298500), wk = 0.0027174 k( 223) = ( 0.1219512 0.5000000 0.3298500), wk = 0.0027174 k( 224) = ( 0.1341463 0.5000000 0.3298500), wk = 0.0027174 k( 225) = ( 0.1463415 0.5000000 0.3298500), wk = 0.0027174 k( 226) = ( 0.1585366 0.5000000 0.3298500), wk = 0.0027174 k( 227) = ( 0.1707317 0.5000000 0.3298500), wk = 0.0027174 k( 228) = ( 0.1829268 0.5000000 0.3298500), wk = 0.0027174 k( 229) = ( 0.1951219 0.5000000 0.3298500), wk = 0.0027174 k( 230) = ( 0.2073171 0.5000000 0.3298500), wk = 0.0027174 k( 231) = ( 0.2195122 0.5000000 0.3298500), wk = 0.0027174 k( 232) = ( 0.2317073 0.5000000 0.3298500), wk = 0.0027174 k( 233) = ( 0.2439024 0.5000000 0.3298500), wk = 0.0027174 k( 234) = ( 0.2560976 0.5000000 0.3298500), wk = 0.0027174 k( 235) = ( 0.2682927 0.5000000 0.3298500), wk = 0.0027174 k( 236) = ( 0.2804878 0.5000000 0.3298500), wk = 0.0027174 k( 237) = ( 0.2926829 0.5000000 0.3298500), wk = 0.0027174 k( 238) = ( 0.3048781 0.5000000 0.3298500), wk = 0.0027174 k( 239) = ( 0.3170732 0.5000000 0.3298500), wk = 0.0027174 k( 240) = ( 0.3292683 0.5000000 0.3298500), wk = 0.0027174 k( 241) = ( 0.3414634 0.5000000 0.3298500), wk = 0.0027174 k( 242) = ( 0.3536585 0.5000000 0.3298500), wk = 0.0027174 k( 243) = ( 0.3658537 0.5000000 0.3298500), wk = 0.0027174 k( 244) = ( 0.3780488 0.5000000 0.3298500), wk = 0.0027174 k( 245) = ( 0.3902439 0.5000000 0.3298500), wk = 0.0027174 k( 246) = ( 0.4024390 0.5000000 0.3298500), wk = 0.0027174 k( 247) = ( 0.4146341 0.5000000 0.3298500), wk = 0.0027174 k( 248) = ( 0.4268293 0.5000000 0.3298500), wk = 0.0027174 k( 249) = ( 0.4390244 0.5000000 0.3298500), wk = 0.0027174 k( 250) = ( 0.4512195 0.5000000 0.3298500), wk = 0.0027174 k( 251) = ( 0.4634146 0.5000000 0.3298500), wk = 0.0027174 k( 252) = ( 0.4756098 0.5000000 0.3298500), wk = 0.0027174 k( 253) = ( 0.4878049 0.5000000 0.3298500), wk = 0.0027174 k( 254) = ( 0.5000000 0.5000000 0.3298500), wk = 0.0027174 k( 255) = ( 0.5000000 0.5000000 0.3298500), wk = 0.0027174 k( 256) = ( 0.4912281 0.4912281 0.3298500), wk = 0.0027174 k( 257) = ( 0.4824561 0.4824561 0.3298500), wk = 0.0027174 k( 258) = ( 0.4736842 0.4736842 0.3298500), wk = 0.0027174 k( 259) = ( 0.4649123 0.4649123 0.3298500), wk = 0.0027174 k( 260) = ( 0.4561404 0.4561403 0.3298500), wk = 0.0027174 k( 261) = ( 0.4473684 0.4473684 0.3298500), wk = 0.0027174 k( 262) = ( 0.4385965 0.4385965 0.3298500), wk = 0.0027174 k( 263) = ( 0.4298246 0.4298246 0.3298500), wk = 0.0027174 k( 264) = ( 0.4210526 0.4210526 0.3298500), wk = 0.0027174 k( 265) = ( 0.4122807 0.4122807 0.3298500), wk = 0.0027174 k( 266) = ( 0.4035088 0.4035088 0.3298500), wk = 0.0027174 k( 267) = ( 0.3947368 0.3947368 0.3298500), wk = 0.0027174 k( 268) = ( 0.3859649 0.3859649 0.3298500), wk = 0.0027174 k( 269) = ( 0.3771930 0.3771930 0.3298500), wk = 0.0027174 k( 270) = ( 0.3684211 0.3684210 0.3298500), wk = 0.0027174 k( 271) = ( 0.3596491 0.3596491 0.3298500), wk = 0.0027174 k( 272) = ( 0.3508772 0.3508772 0.3298500), wk = 0.0027174 k( 273) = ( 0.3421053 0.3421053 0.3298500), wk = 0.0027174 k( 274) = ( 0.3333333 0.3333333 0.3298500), wk = 0.0027174 k( 275) = ( 0.3245614 0.3245614 0.3298500), wk = 0.0027174 k( 276) = ( 0.3157895 0.3157895 0.3298500), wk = 0.0027174 k( 277) = ( 0.3070175 0.3070175 0.3298500), wk = 0.0027174 k( 278) = ( 0.2982456 0.2982456 0.3298500), wk = 0.0027174 k( 279) = ( 0.2894737 0.2894737 0.3298500), wk = 0.0027174 k( 280) = ( 0.2807018 0.2807017 0.3298500), wk = 0.0027174 k( 281) = ( 0.2719298 0.2719298 0.3298500), wk = 0.0027174 k( 282) = ( 0.2631579 0.2631579 0.3298500), wk = 0.0027174 k( 283) = ( 0.2543860 0.2543860 0.3298500), wk = 0.0027174 k( 284) = ( 0.2456140 0.2456140 0.3298500), wk = 0.0027174 k( 285) = ( 0.2368421 0.2368421 0.3298500), wk = 0.0027174 k( 286) = ( 0.2280702 0.2280702 0.3298500), wk = 0.0027174 k( 287) = ( 0.2192983 0.2192982 0.3298500), wk = 0.0027174 k( 288) = ( 0.2105263 0.2105263 0.3298500), wk = 0.0027174 k( 289) = ( 0.2017544 0.2017544 0.3298500), wk = 0.0027174 k( 290) = ( 0.1929825 0.1929825 0.3298500), wk = 0.0027174 k( 291) = ( 0.1842105 0.1842105 0.3298500), wk = 0.0027174 k( 292) = ( 0.1754386 0.1754386 0.3298500), wk = 0.0027174 k( 293) = ( 0.1666667 0.1666667 0.3298500), wk = 0.0027174 k( 294) = ( 0.1578947 0.1578947 0.3298500), wk = 0.0027174 k( 295) = ( 0.1491228 0.1491228 0.3298500), wk = 0.0027174 k( 296) = ( 0.1403509 0.1403509 0.3298500), wk = 0.0027174 k( 297) = ( 0.1315790 0.1315790 0.3298500), wk = 0.0027174 k( 298) = ( 0.1228070 0.1228070 0.3298500), wk = 0.0027174 k( 299) = ( 0.1140351 0.1140351 0.3298500), wk = 0.0027174 k( 300) = ( 0.1052632 0.1052632 0.3298500), wk = 0.0027174 k( 301) = ( 0.0964912 0.0964912 0.3298500), wk = 0.0027174 k( 302) = ( 0.0877193 0.0877193 0.3298500), wk = 0.0027174 k( 303) = ( 0.0789474 0.0789474 0.3298500), wk = 0.0027174 k( 304) = ( 0.0701754 0.0701754 0.3298500), wk = 0.0027174 k( 305) = ( 0.0614035 0.0614035 0.3298500), wk = 0.0027174 k( 306) = ( 0.0526316 0.0526316 0.3298500), wk = 0.0027174 k( 307) = ( 0.0438597 0.0438596 0.3298500), wk = 0.0027174 k( 308) = ( 0.0350877 0.0350877 0.3298500), wk = 0.0027174 k( 309) = ( 0.0263158 0.0263158 0.3298500), wk = 0.0027174 k( 310) = ( 0.0175439 0.0175439 0.3298500), wk = 0.0027174 k( 311) = ( 0.0087719 0.0087719 0.3298500), wk = 0.0027174 k( 312) = ( 0.0000000 0.0000000 0.3298500), wk = 0.0027174 k( 313) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 314) = ( 0.0000000 0.5000000 0.0122167), wk = 0.0027174 k( 315) = ( 0.0000000 0.5000000 0.0244333), wk = 0.0027174 k( 316) = ( 0.0000000 0.5000000 0.0366500), wk = 0.0027174 k( 317) = ( 0.0000000 0.5000000 0.0488667), wk = 0.0027174 k( 318) = ( 0.0000000 0.5000000 0.0610833), wk = 0.0027174 k( 319) = ( 0.0000000 0.5000000 0.0733000), wk = 0.0027174 k( 320) = ( 0.0000000 0.5000000 0.0855167), wk = 0.0027174 k( 321) = ( 0.0000000 0.5000000 0.0977333), wk = 0.0027174 k( 322) = ( 0.0000000 0.5000000 0.1099500), wk = 0.0027174 k( 323) = ( 0.0000000 0.5000000 0.1221667), wk = 0.0027174 k( 324) = ( 0.0000000 0.5000000 0.1343833), wk = 0.0027174 k( 325) = ( 0.0000000 0.5000000 0.1466000), wk = 0.0027174 k( 326) = ( 0.0000000 0.5000000 0.1588167), wk = 0.0027174 k( 327) = ( 0.0000000 0.5000000 0.1710333), wk = 0.0027174 k( 328) = ( 0.0000000 0.5000000 0.1832500), wk = 0.0027174 k( 329) = ( 0.0000000 0.5000000 0.1954667), wk = 0.0027174 k( 330) = ( 0.0000000 0.5000000 0.2076833), wk = 0.0027174 k( 331) = ( 0.0000000 0.5000000 0.2199000), wk = 0.0027174 k( 332) = ( 0.0000000 0.5000000 0.2321167), wk = 0.0027174 k( 333) = ( 0.0000000 0.5000000 0.2443333), wk = 0.0027174 k( 334) = ( 0.0000000 0.5000000 0.2565500), wk = 0.0027174 k( 335) = ( 0.0000000 0.5000000 0.2687667), wk = 0.0027174 k( 336) = ( 0.0000000 0.5000000 0.2809833), wk = 0.0027174 k( 337) = ( 0.0000000 0.5000000 0.2932000), wk = 0.0027174 k( 338) = ( 0.0000000 0.5000000 0.3054167), wk = 0.0027174 k( 339) = ( 0.0000000 0.5000000 0.3176333), wk = 0.0027174 k( 340) = ( 0.0000000 0.5000000 0.3298500), wk = 0.0027174 k( 341) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 342) = ( 0.5000000 0.5000000 0.0122167), wk = 0.0027174 k( 343) = ( 0.5000000 0.5000000 0.0244333), wk = 0.0027174 k( 344) = ( 0.5000000 0.5000000 0.0366500), wk = 0.0027174 k( 345) = ( 0.5000000 0.5000000 0.0488667), wk = 0.0027174 k( 346) = ( 0.5000000 0.5000000 0.0610833), wk = 0.0027174 k( 347) = ( 0.5000000 0.5000000 0.0733000), wk = 0.0027174 k( 348) = ( 0.5000000 0.5000000 0.0855167), wk = 0.0027174 k( 349) = ( 0.5000000 0.5000000 0.0977333), wk = 0.0027174 k( 350) = ( 0.5000000 0.5000000 0.1099500), wk = 0.0027174 k( 351) = ( 0.5000000 0.5000000 0.1221667), wk = 0.0027174 k( 352) = ( 0.5000000 0.5000000 0.1343833), wk = 0.0027174 k( 353) = ( 0.5000000 0.5000000 0.1466000), wk = 0.0027174 k( 354) = ( 0.5000000 0.5000000 0.1588167), wk = 0.0027174 k( 355) = ( 0.5000000 0.5000000 0.1710333), wk = 0.0027174 k( 356) = ( 0.5000000 0.5000000 0.1832500), wk = 0.0027174 k( 357) = ( 0.5000000 0.5000000 0.1954667), wk = 0.0027174 k( 358) = ( 0.5000000 0.5000000 0.2076833), wk = 0.0027174 k( 359) = ( 0.5000000 0.5000000 0.2199000), wk = 0.0027174 k( 360) = ( 0.5000000 0.5000000 0.2321167), wk = 0.0027174 k( 361) = ( 0.5000000 0.5000000 0.2443333), wk = 0.0027174 k( 362) = ( 0.5000000 0.5000000 0.2565500), wk = 0.0027174 k( 363) = ( 0.5000000 0.5000000 0.2687667), wk = 0.0027174 k( 364) = ( 0.5000000 0.5000000 0.2809833), wk = 0.0027174 k( 365) = ( 0.5000000 0.5000000 0.2932000), wk = 0.0027174 k( 366) = ( 0.5000000 0.5000000 0.3054167), wk = 0.0027174 k( 367) = ( 0.5000000 0.5000000 0.3176333), wk = 0.0027174 k( 368) = ( 0.5000000 0.5000000 0.3298500), 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 0.3518518), 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: 59187 G-vectors FFT dimensions: ( 45, 45, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 416, 52) NL pseudopotentials 0.52 Mb ( 208, 164) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1645) G-vector shells 0.01 Mb ( 793) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.32 Mb ( 416, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.26 Mb ( 164, 2, 52) The potential is recalculated from file : ./MnAlGe.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.3 secs Computing kpt #: 8 total cpu time spent up to now is 8.9 secs Computing kpt #: 9 total cpu time spent up to now is 9.5 secs Computing kpt #: 10 total cpu time spent up to now is 10.0 secs Computing kpt #: 11 total cpu time spent up to now is 10.5 secs Computing kpt #: 12 total cpu time spent up to now is 11.1 secs Computing kpt #: 13 total cpu time spent up to now is 11.6 secs Computing kpt #: 14 total cpu time spent up to now is 12.2 secs Computing kpt #: 15 total cpu time spent up to now is 12.7 secs Computing kpt #: 16 total cpu time spent up to now is 13.2 secs Computing kpt #: 17 total cpu time spent up to now is 13.8 secs Computing kpt #: 18 total cpu time spent up to now is 14.3 secs Computing kpt #: 19 total cpu time spent up to now is 14.9 secs Computing kpt #: 20 total cpu time spent up to now is 15.4 secs Computing kpt #: 21 total cpu time spent up to now is 16.0 secs Computing kpt #: 22 total cpu time spent up to now is 16.6 secs Computing kpt #: 23 total cpu time spent up to now is 17.2 secs Computing kpt #: 24 total cpu time spent up to now is 17.8 secs Computing kpt #: 25 total cpu time spent up to now is 18.4 secs Computing kpt #: 26 total cpu time spent up to now is 19.0 secs Computing kpt #: 27 total cpu time spent up to now is 19.5 secs Computing kpt #: 28 total cpu time spent up to now is 20.0 secs Computing kpt #: 29 total cpu time spent up to now is 20.6 secs Computing kpt #: 30 total cpu time spent up to now is 21.1 secs Computing kpt #: 31 total cpu time spent up to now is 21.6 secs Computing kpt #: 32 total cpu time spent up to now is 22.1 secs Computing kpt #: 33 total cpu time spent up to now is 22.6 secs Computing kpt #: 34 total cpu time spent up to now is 23.1 secs Computing kpt #: 35 total cpu time spent up to now is 23.5 secs Computing kpt #: 36 total cpu time spent up to now is 24.0 secs Computing kpt #: 37 total cpu time spent up to now is 24.5 secs Computing kpt #: 38 total cpu time spent up to now is 25.0 secs Computing kpt #: 39 total cpu time spent up to now is 25.5 secs Computing kpt #: 40 total cpu time spent up to now is 26.0 secs Computing kpt #: 41 total cpu time spent up to now is 26.5 secs Computing kpt #: 42 total cpu time spent up to now is 26.9 secs Computing kpt #: 43 total cpu time spent up to now is 27.4 secs Computing kpt #: 44 total cpu time spent up to now is 27.9 secs Computing kpt #: 45 total cpu time spent up to now is 28.4 secs Computing kpt #: 46 total cpu time spent up to now is 28.9 secs Computing kpt #: 47 total cpu time spent up to now is 29.3 secs Computing kpt #: 48 total cpu time spent up to now is 29.8 secs Computing kpt #: 49 total cpu time spent up to now is 30.3 secs Computing kpt #: 50 total cpu time spent up to now is 30.7 secs Computing kpt #: 51 total cpu time spent up to now is 31.2 secs Computing kpt #: 52 total cpu time spent up to now is 31.6 secs Computing kpt #: 53 total cpu time spent up to now is 32.1 secs Computing kpt #: 54 total cpu time spent up to now is 32.6 secs Computing kpt #: 55 total cpu time spent up to now is 33.0 secs Computing kpt #: 56 total cpu time spent up to now is 33.5 secs Computing kpt #: 57 total cpu time spent up to now is 33.9 secs Computing kpt #: 58 total cpu time spent up to now is 34.4 secs Computing kpt #: 59 total cpu time spent up to now is 34.9 secs Computing kpt #: 60 total cpu time spent up to now is 35.6 secs Computing kpt #: 61 total cpu time spent up to now is 36.1 secs Computing kpt #: 62 total cpu time spent up to now is 36.5 secs Computing kpt #: 63 total cpu time spent up to now is 37.0 secs Computing kpt #: 64 total cpu time spent up to now is 37.5 secs Computing kpt #: 65 total cpu time spent up to now is 38.0 secs Computing kpt #: 66 total cpu time spent up to now is 38.5 secs Computing kpt #: 67 total cpu time spent up to now is 39.0 secs Computing kpt #: 68 total cpu time spent up to now is 39.5 secs Computing kpt #: 69 total cpu time spent up to now is 40.0 secs Computing kpt #: 70 total cpu time spent up to now is 40.5 secs Computing kpt #: 71 total cpu time spent up to now is 41.0 secs Computing kpt #: 72 total cpu time spent up to now is 41.6 secs Computing kpt #: 73 total cpu time spent up to now is 42.1 secs Computing kpt #: 74 total cpu time spent up to now is 42.6 secs Computing kpt #: 75 total cpu time spent up to now is 43.2 secs Computing kpt #: 76 total cpu time spent up to now is 43.7 secs Computing kpt #: 77 total cpu time spent up to now is 44.3 secs Computing kpt #: 78 total cpu time spent up to now is 44.8 secs Computing kpt #: 79 total cpu time spent up to now is 45.4 secs Computing kpt #: 80 total cpu time spent up to now is 45.9 secs Computing kpt #: 81 total cpu time spent up to now is 46.5 secs Computing kpt #: 82 total cpu time spent up to now is 47.0 secs Computing kpt #: 83 total cpu time spent up to now is 47.6 secs Computing kpt #: 84 total cpu time spent up to now is 48.1 secs Computing kpt #: 85 total cpu time spent up to now is 48.6 secs Computing kpt #: 86 total cpu time spent up to now is 49.2 secs Computing kpt #: 87 total cpu time spent up to now is 49.7 secs Computing kpt #: 88 total cpu time spent up to now is 50.3 secs Computing kpt #: 89 total cpu time spent up to now is 50.8 secs Computing kpt #: 90 total cpu time spent up to now is 51.4 secs Computing kpt #: 91 total cpu time spent up to now is 51.9 secs Computing kpt #: 92 total cpu time spent up to now is 52.5 secs Computing kpt #: 93 total cpu time spent up to now is 53.0 secs Computing kpt #: 94 total cpu time spent up to now is 53.5 secs Computing kpt #: 95 total cpu time spent up to now is 54.1 secs Computing kpt #: 96 total cpu time spent up to now is 54.6 secs Computing kpt #: 97 total cpu time spent up to now is 55.2 secs Computing kpt #: 98 total cpu time spent up to now is 55.7 secs Computing kpt #: 99 total cpu time spent up to now is 56.2 secs Computing kpt #: 100 total cpu time spent up to now is 56.7 secs Computing kpt #: 101 total cpu time spent up to now is 57.2 secs Computing kpt #: 102 total cpu time spent up to now is 57.7 secs Computing kpt #: 103 total cpu time spent up to now is 58.3 secs Computing kpt #: 104 total cpu time spent up to now is 58.8 secs Computing kpt #: 105 total cpu time spent up to now is 59.2 secs Computing kpt #: 106 total cpu time spent up to now is 59.8 secs Computing kpt #: 107 total cpu time spent up to now is 60.2 secs Computing kpt #: 108 total cpu time spent up to now is 60.7 secs Computing kpt #: 109 total cpu time spent up to now is 61.2 secs Computing kpt #: 110 total cpu time spent up to now is 61.7 secs Computing kpt #: 111 total cpu time spent up to now is 62.2 secs Computing kpt #: 112 total cpu time spent up to now is 62.7 secs Computing kpt #: 113 total cpu time spent up to now is 63.2 secs Computing kpt #: 114 total cpu time spent up to now is 63.7 secs Computing kpt #: 115 total cpu time spent up to now is 64.2 secs Computing kpt #: 116 total cpu time spent up to now is 64.7 secs Computing kpt #: 117 total cpu time spent up to now is 65.2 secs Computing kpt #: 118 total cpu time spent up to now is 65.7 secs Computing kpt #: 119 total cpu time spent up to now is 66.2 secs Computing kpt #: 120 total cpu time spent up to now is 66.7 secs Computing kpt #: 121 total cpu time spent up to now is 67.2 secs Computing kpt #: 122 total cpu time spent up to now is 67.7 secs Computing kpt #: 123 total cpu time spent up to now is 68.2 secs Computing kpt #: 124 total cpu time spent up to now is 68.7 secs Computing kpt #: 125 total cpu time spent up to now is 69.1 secs Computing kpt #: 126 total cpu time spent up to now is 69.6 secs Computing kpt #: 127 total cpu time spent up to now is 70.1 secs Computing kpt #: 128 total cpu time spent up to now is 70.6 secs Computing kpt #: 129 total cpu time spent up to now is 71.1 secs Computing kpt #: 130 total cpu time spent up to now is 71.5 secs Computing kpt #: 131 total cpu time spent up to now is 72.0 secs Computing kpt #: 132 total cpu time spent up to now is 72.5 secs Computing kpt #: 133 total cpu time spent up to now is 73.0 secs Computing kpt #: 134 total cpu time spent up to now is 73.6 secs Computing kpt #: 135 total cpu time spent up to now is 74.1 secs Computing kpt #: 136 total cpu time spent up to now is 74.6 secs Computing kpt #: 137 total cpu time spent up to now is 75.2 secs Computing kpt #: 138 total cpu time spent up to now is 75.9 secs Computing kpt #: 139 total cpu time spent up to now is 76.5 secs Computing kpt #: 140 total cpu time spent up to now is 77.2 secs Computing kpt #: 141 total cpu time spent up to now is 77.8 secs Computing kpt #: 142 total cpu time spent up to now is 78.4 secs Computing kpt #: 143 total cpu time spent up to now is 79.0 secs Computing kpt #: 144 total cpu time spent up to now is 79.6 secs Computing kpt #: 145 total cpu time spent up to now is 80.2 secs Computing kpt #: 146 total cpu time spent up to now is 80.8 secs Computing kpt #: 147 total cpu time spent up to now is 81.4 secs Computing kpt #: 148 total cpu time spent up to now is 82.0 secs Computing kpt #: 149 total cpu time spent up to now is 82.6 secs Computing kpt #: 150 total cpu time spent up to now is 83.3 secs Computing kpt #: 151 total cpu time spent up to now is 83.8 secs Computing kpt #: 152 total cpu time spent up to now is 84.4 secs Computing kpt #: 153 total cpu time spent up to now is 84.9 secs Computing kpt #: 154 total cpu time spent up to now is 85.5 secs Computing kpt #: 155 total cpu time spent up to now is 86.0 secs Computing kpt #: 156 total cpu time spent up to now is 86.6 secs Computing kpt #: 157 total cpu time spent up to now is 87.1 secs Computing kpt #: 158 total cpu time spent up to now is 87.7 secs Computing kpt #: 159 total cpu time spent up to now is 88.3 secs Computing kpt #: 160 total cpu time spent up to now is 88.8 secs Computing kpt #: 161 total cpu time spent up to now is 89.4 secs Computing kpt #: 162 total cpu time spent up to now is 89.9 secs Computing kpt #: 163 total cpu time spent up to now is 90.4 secs Computing kpt #: 164 total cpu time spent up to now is 90.9 secs Computing kpt #: 165 total cpu time spent up to now is 91.3 secs Computing kpt #: 166 total cpu time spent up to now is 91.8 secs Computing kpt #: 167 total cpu time spent up to now is 92.3 secs Computing kpt #: 168 total cpu time spent up to now is 92.8 secs Computing kpt #: 169 total cpu time spent up to now is 93.3 secs Computing kpt #: 170 total cpu time spent up to now is 93.8 secs Computing kpt #: 171 total cpu time spent up to now is 94.3 secs Computing kpt #: 172 total cpu time spent up to now is 94.8 secs Computing kpt #: 173 total cpu time spent up to now is 95.3 secs Computing kpt #: 174 total cpu time spent up to now is 95.8 secs Computing kpt #: 175 total cpu time spent up to now is 96.3 secs Computing kpt #: 176 total cpu time spent up to now is 96.8 secs Computing kpt #: 177 total cpu time spent up to now is 97.4 secs Computing kpt #: 178 total cpu time spent up to now is 97.9 secs Computing kpt #: 179 total cpu time spent up to now is 98.4 secs Computing kpt #: 180 total cpu time spent up to now is 98.9 secs Computing kpt #: 181 total cpu time spent up to now is 99.4 secs Computing kpt #: 182 total cpu time spent up to now is 100.0 secs Computing kpt #: 183 total cpu time spent up to now is 100.5 secs Computing kpt #: 184 total cpu time spent up to now is 101.0 secs Computing kpt #: 185 total cpu time spent up to now is 101.5 secs Computing kpt #: 186 total cpu time spent up to now is 102.0 secs Computing kpt #: 187 total cpu time spent up to now is 102.5 secs Computing kpt #: 188 total cpu time spent up to now is 103.0 secs Computing kpt #: 189 total cpu time spent up to now is 103.5 secs Computing kpt #: 190 total cpu time spent up to now is 104.1 secs Computing kpt #: 191 total cpu time spent up to now is 104.6 secs Computing kpt #: 192 total cpu time spent up to now is 105.2 secs Computing kpt #: 193 total cpu time spent up to now is 105.7 secs Computing kpt #: 194 total cpu time spent up to now is 106.2 secs Computing kpt #: 195 total cpu time spent up to now is 106.7 secs Computing kpt #: 196 total cpu time spent up to now is 107.2 secs Computing kpt #: 197 total cpu time spent up to now is 107.7 secs Computing kpt #: 198 total cpu time spent up to now is 108.2 secs Computing kpt #: 199 total cpu time spent up to now is 108.7 secs Computing kpt #: 200 total cpu time spent up to now is 109.2 secs Computing kpt #: 201 total cpu time spent up to now is 109.7 secs Computing kpt #: 202 total cpu time spent up to now is 110.2 secs Computing kpt #: 203 total cpu time spent up to now is 110.8 secs Computing kpt #: 204 total cpu time spent up to now is 111.3 secs Computing kpt #: 205 total cpu time spent up to now is 111.8 secs Computing kpt #: 206 total cpu time spent up to now is 112.3 secs Computing kpt #: 207 total cpu time spent up to now is 112.8 secs Computing kpt #: 208 total cpu time spent up to now is 113.3 secs Computing kpt #: 209 total cpu time spent up to now is 113.9 secs Computing kpt #: 210 total cpu time spent up to now is 114.4 secs Computing kpt #: 211 total cpu time spent up to now is 114.9 secs Computing kpt #: 212 total cpu time spent up to now is 115.5 secs Computing kpt #: 213 total cpu time spent up to now is 116.0 secs Computing kpt #: 214 total cpu time spent up to now is 116.5 secs Computing kpt #: 215 total cpu time spent up to now is 117.1 secs Computing kpt #: 216 total cpu time spent up to now is 117.6 secs Computing kpt #: 217 total cpu time spent up to now is 118.1 secs Computing kpt #: 218 total cpu time spent up to now is 118.6 secs Computing kpt #: 219 total cpu time spent up to now is 119.2 secs Computing kpt #: 220 total cpu time spent up to now is 119.7 secs Computing kpt #: 221 total cpu time spent up to now is 120.2 secs Computing kpt #: 222 total cpu time spent up to now is 120.8 secs Computing kpt #: 223 total cpu time spent up to now is 121.3 secs Computing kpt #: 224 total cpu time spent up to now is 121.8 secs Computing kpt #: 225 total cpu time spent up to now is 122.3 secs Computing kpt #: 226 total cpu time spent up to now is 122.9 secs Computing kpt #: 227 total cpu time spent up to now is 123.4 secs Computing kpt #: 228 total cpu time spent up to now is 123.9 secs Computing kpt #: 229 total cpu time spent up to now is 124.4 secs Computing kpt #: 230 total cpu time spent up to now is 124.9 secs Computing kpt #: 231 total cpu time spent up to now is 125.4 secs Computing kpt #: 232 total cpu time spent up to now is 125.9 secs Computing kpt #: 233 total cpu time spent up to now is 126.5 secs Computing kpt #: 234 total cpu time spent up to now is 127.0 secs Computing kpt #: 235 total cpu time spent up to now is 127.5 secs Computing kpt #: 236 total cpu time spent up to now is 128.0 secs Computing kpt #: 237 total cpu time spent up to now is 128.5 secs Computing kpt #: 238 total cpu time spent up to now is 129.0 secs Computing kpt #: 239 total cpu time spent up to now is 129.4 secs Computing kpt #: 240 total cpu time spent up to now is 129.9 secs Computing kpt #: 241 total cpu time spent up to now is 130.4 secs Computing kpt #: 242 total cpu time spent up to now is 130.9 secs Computing kpt #: 243 total cpu time spent up to now is 131.4 secs Computing kpt #: 244 total cpu time spent up to now is 131.9 secs Computing kpt #: 245 total cpu time spent up to now is 132.4 secs Computing kpt #: 246 total cpu time spent up to now is 132.8 secs Computing kpt #: 247 total cpu time spent up to now is 133.3 secs Computing kpt #: 248 total cpu time spent up to now is 133.8 secs Computing kpt #: 249 total cpu time spent up to now is 134.3 secs Computing kpt #: 250 total cpu time spent up to now is 134.7 secs Computing kpt #: 251 total cpu time spent up to now is 135.2 secs Computing kpt #: 252 total cpu time spent up to now is 135.6 secs Computing kpt #: 253 total cpu time spent up to now is 136.0 secs Computing kpt #: 254 total cpu time spent up to now is 136.5 secs Computing kpt #: 255 total cpu time spent up to now is 136.9 secs Computing kpt #: 256 total cpu time spent up to now is 137.3 secs Computing kpt #: 257 total cpu time spent up to now is 137.8 secs Computing kpt #: 258 total cpu time spent up to now is 138.2 secs Computing kpt #: 259 total cpu time spent up to now is 138.7 secs Computing kpt #: 260 total cpu time spent up to now is 139.1 secs Computing kpt #: 261 total cpu time spent up to now is 139.6 secs Computing kpt #: 262 total cpu time spent up to now is 140.1 secs Computing kpt #: 263 total cpu time spent up to now is 140.5 secs Computing kpt #: 264 total cpu time spent up to now is 141.0 secs Computing kpt #: 265 total cpu time spent up to now is 141.5 secs Computing kpt #: 266 total cpu time spent up to now is 142.0 secs Computing kpt #: 267 total cpu time spent up to now is 142.4 secs Computing kpt #: 268 total cpu time spent up to now is 142.9 secs Computing kpt #: 269 total cpu time spent up to now is 143.4 secs Computing kpt #: 270 total cpu time spent up to now is 143.9 secs Computing kpt #: 271 total cpu time spent up to now is 144.4 secs Computing kpt #: 272 total cpu time spent up to now is 144.9 secs Computing kpt #: 273 total cpu time spent up to now is 145.4 secs Computing kpt #: 274 total cpu time spent up to now is 145.9 secs Computing kpt #: 275 total cpu time spent up to now is 146.5 secs Computing kpt #: 276 total cpu time spent up to now is 147.0 secs Computing kpt #: 277 total cpu time spent up to now is 147.5 secs Computing kpt #: 278 total cpu time spent up to now is 148.0 secs Computing kpt #: 279 total cpu time spent up to now is 148.6 secs Computing kpt #: 280 total cpu time spent up to now is 149.1 secs Computing kpt #: 281 total cpu time spent up to now is 149.7 secs Computing kpt #: 282 total cpu time spent up to now is 150.3 secs Computing kpt #: 283 total cpu time spent up to now is 150.8 secs Computing kpt #: 284 total cpu time spent up to now is 151.4 secs Computing kpt #: 285 total cpu time spent up to now is 151.9 secs Computing kpt #: 286 total cpu time spent up to now is 152.4 secs Computing kpt #: 287 total cpu time spent up to now is 152.9 secs Computing kpt #: 288 total cpu time spent up to now is 153.4 secs Computing kpt #: 289 total cpu time spent up to now is 153.9 secs Computing kpt #: 290 total cpu time spent up to now is 154.4 secs Computing kpt #: 291 total cpu time spent up to now is 154.9 secs Computing kpt #: 292 total cpu time spent up to now is 155.3 secs Computing kpt #: 293 total cpu time spent up to now is 155.8 secs Computing kpt #: 294 total cpu time spent up to now is 156.3 secs Computing kpt #: 295 total cpu time spent up to now is 156.8 secs Computing kpt #: 296 total cpu time spent up to now is 157.3 secs Computing kpt #: 297 total cpu time spent up to now is 157.8 secs Computing kpt #: 298 total cpu time spent up to now is 158.3 secs Computing kpt #: 299 total cpu time spent up to now is 158.8 secs Computing kpt #: 300 total cpu time spent up to now is 159.3 secs Computing kpt #: 301 total cpu time spent up to now is 159.9 secs Computing kpt #: 302 total cpu time spent up to now is 160.4 secs Computing kpt #: 303 total cpu time spent up to now is 160.9 secs Computing kpt #: 304 total cpu time spent up to now is 161.4 secs Computing kpt #: 305 total cpu time spent up to now is 161.9 secs Computing kpt #: 306 total cpu time spent up to now is 162.5 secs Computing kpt #: 307 total cpu time spent up to now is 163.0 secs Computing kpt #: 308 total cpu time spent up to now is 163.5 secs Computing kpt #: 309 total cpu time spent up to now is 164.0 secs Computing kpt #: 310 total cpu time spent up to now is 164.6 secs Computing kpt #: 311 total cpu time spent up to now is 165.0 secs Computing kpt #: 312 total cpu time spent up to now is 165.5 secs Computing kpt #: 313 total cpu time spent up to now is 166.0 secs Computing kpt #: 314 total cpu time spent up to now is 166.5 secs Computing kpt #: 315 total cpu time spent up to now is 167.0 secs Computing kpt #: 316 total cpu time spent up to now is 167.5 secs Computing kpt #: 317 total cpu time spent up to now is 168.0 secs Computing kpt #: 318 total cpu time spent up to now is 168.4 secs Computing kpt #: 319 total cpu time spent up to now is 168.9 secs Computing kpt #: 320 total cpu time spent up to now is 169.4 secs Computing kpt #: 321 total cpu time spent up to now is 169.9 secs Computing kpt #: 322 total cpu time spent up to now is 170.4 secs Computing kpt #: 323 total cpu time spent up to now is 170.9 secs Computing kpt #: 324 total cpu time spent up to now is 171.4 secs Computing kpt #: 325 total cpu time spent up to now is 171.8 secs Computing kpt #: 326 total cpu time spent up to now is 172.3 secs Computing kpt #: 327 total cpu time spent up to now is 172.8 secs Computing kpt #: 328 total cpu time spent up to now is 173.3 secs Computing kpt #: 329 total cpu time spent up to now is 173.8 secs Computing kpt #: 330 total cpu time spent up to now is 174.3 secs Computing kpt #: 331 total cpu time spent up to now is 174.8 secs Computing kpt #: 332 total cpu time spent up to now is 175.4 secs Computing kpt #: 333 total cpu time spent up to now is 175.9 secs Computing kpt #: 334 total cpu time spent up to now is 176.4 secs Computing kpt #: 335 total cpu time spent up to now is 176.9 secs Computing kpt #: 336 total cpu time spent up to now is 177.4 secs Computing kpt #: 337 total cpu time spent up to now is 178.0 secs Computing kpt #: 338 total cpu time spent up to now is 178.5 secs Computing kpt #: 339 total cpu time spent up to now is 179.0 secs Computing kpt #: 340 total cpu time spent up to now is 179.5 secs Computing kpt #: 341 total cpu time spent up to now is 180.1 secs Computing kpt #: 342 total cpu time spent up to now is 180.6 secs Computing kpt #: 343 total cpu time spent up to now is 181.1 secs Computing kpt #: 344 total cpu time spent up to now is 181.7 secs Computing kpt #: 345 total cpu time spent up to now is 182.2 secs Computing kpt #: 346 total cpu time spent up to now is 182.8 secs Computing kpt #: 347 total cpu time spent up to now is 183.3 secs Computing kpt #: 348 total cpu time spent up to now is 183.8 secs Computing kpt #: 349 total cpu time spent up to now is 184.4 secs Computing kpt #: 350 total cpu time spent up to now is 184.9 secs Computing kpt #: 351 total cpu time spent up to now is 185.4 secs Computing kpt #: 352 total cpu time spent up to now is 186.0 secs Computing kpt #: 353 total cpu time spent up to now is 186.5 secs Computing kpt #: 354 total cpu time spent up to now is 187.0 secs Computing kpt #: 355 total cpu time spent up to now is 187.5 secs Computing kpt #: 356 total cpu time spent up to now is 188.0 secs Computing kpt #: 357 total cpu time spent up to now is 188.5 secs Computing kpt #: 358 total cpu time spent up to now is 189.0 secs Computing kpt #: 359 total cpu time spent up to now is 189.5 secs Computing kpt #: 360 total cpu time spent up to now is 189.9 secs Computing kpt #: 361 total cpu time spent up to now is 190.4 secs Computing kpt #: 362 total cpu time spent up to now is 190.8 secs Computing kpt #: 363 total cpu time spent up to now is 191.3 secs Computing kpt #: 364 total cpu time spent up to now is 191.7 secs Computing kpt #: 365 total cpu time spent up to now is 192.2 secs Computing kpt #: 366 total cpu time spent up to now is 192.6 secs Computing kpt #: 367 total cpu time spent up to now is 193.0 secs Computing kpt #: 368 total cpu time spent up to now is 193.4 secs ethr = 2.27E-08, avg # of iterations = 14.9 total cpu time spent up to now is 193.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7411 PWs) bands (ev): -67.5623 -67.5623 -67.5332 -67.5332 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1749 -36.1749 -36.1473 -36.1473 -36.0441 -36.0441 -0.9919 -0.9919 1.7493 1.7493 4.7320 4.7320 6.1854 6.1854 7.6722 7.6722 7.6985 7.6985 8.4462 8.4462 8.5151 8.5151 8.6950 8.6950 9.5858 9.5858 9.7261 9.7261 9.7931 9.7931 10.5591 10.5591 10.5989 10.5989 11.5267 11.5267 11.7283 11.7283 12.2974 12.2974 14.0923 14.0923 k = 0.0000 0.0122-0.0000 ( 7425 PWs) bands (ev): -67.5641 -67.5641 -67.5332 -67.5332 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1750 -36.1750 -36.1473 -36.1473 -36.0442 -36.0442 -0.9906 -0.9906 1.7500 1.7500 4.7335 4.7335 6.1846 6.1846 7.6698 7.6698 7.6967 7.6967 8.4383 8.4383 8.5085 8.5085 8.6873 8.6873 9.5939 9.5939 9.7231 9.7231 9.7987 9.7987 10.5554 10.5554 10.5951 10.5951 11.5161 11.5161 11.7307 11.7307 12.2979 12.2979 14.0813 14.0813 k = 0.0000 0.0244-0.0000 ( 7421 PWs) bands (ev): -67.5636 -67.5636 -67.5333 -67.5333 -37.3761 -37.3761 -37.3078 -37.3078 -36.1810 -36.1810 -36.1750 -36.1750 -36.1473 -36.1473 -36.0444 -36.0444 -0.9864 -0.9864 1.7521 1.7521 4.7380 4.7380 6.1797 6.1797 7.6611 7.6611 7.6944 7.6944 8.4079 8.4079 8.4983 8.4983 8.6890 8.6890 9.6128 9.6128 9.7243 9.7243 9.8207 9.8207 10.5573 10.5573 10.5976 10.5976 11.5137 11.5137 11.7381 11.7381 12.2951 12.2951 14.0430 14.0430 k = 0.0000 0.0366-0.0000 ( 7417 PWs) bands (ev): -67.5641 -67.5641 -67.5323 -67.5323 -37.3760 -37.3760 -37.3079 -37.3079 -36.1807 -36.1807 -36.1749 -36.1749 -36.1474 -36.1474 -36.0447 -36.0447 -0.9795 -0.9795 1.7556 1.7556 4.7455 4.7455 6.1696 6.1696 7.6463 7.6463 7.6966 7.6966 8.3508 8.3508 8.4948 8.4948 8.6896 8.6896 9.6330 9.6330 9.7246 9.7246 9.8646 9.8646 10.5564 10.5564 10.5969 10.5969 11.5006 11.5006 11.7502 11.7502 12.2909 12.2909 13.9810 13.9810 k = 0.0000 0.0488-0.0000 ( 7425 PWs) bands (ev): -67.5651 -67.5651 -67.5323 -67.5323 -37.3758 -37.3758 -37.3081 -37.3081 -36.1804 -36.1804 -36.1748 -36.1748 -36.1475 -36.1475 -36.0450 -36.0450 -0.9699 -0.9699 1.7604 1.7604 4.7555 4.7555 6.1545 6.1545 7.6189 7.6189 7.7012 7.7012 8.2754 8.2754 8.4966 8.4966 8.6916 8.6916 9.6484 9.6484 9.7240 9.7240 9.9250 9.9250 10.5499 10.5499 10.5905 10.5905 11.4905 11.4905 11.7664 11.7664 12.2794 12.2794 13.8983 13.8983 k = 0.0000 0.0610-0.0000 ( 7417 PWs) bands (ev): -67.5640 -67.5640 -67.5324 -67.5324 -37.3756 -37.3756 -37.3083 -37.3083 -36.1800 -36.1800 -36.1748 -36.1748 -36.1476 -36.1476 -36.0455 -36.0455 -0.9574 -0.9574 1.7665 1.7665 4.7688 4.7688 6.1330 6.1330 7.5822 7.5822 7.7094 7.7094 8.1905 8.1905 8.5014 8.5014 8.6981 8.6981 9.6576 9.6576 9.7280 9.7280 9.9982 9.9982 10.5463 10.5463 10.5963 10.5963 11.4866 11.4866 11.7861 11.7861 12.2688 12.2688 13.8085 13.8085 k = 0.0000 0.0732-0.0000 ( 7409 PWs) bands (ev): -67.5639 -67.5639 -67.5315 -67.5315 -37.3753 -37.3753 -37.3086 -37.3086 -36.1794 -36.1794 -36.1746 -36.1746 -36.1478 -36.1478 -36.0461 -36.0461 -0.9422 -0.9422 1.7739 1.7739 4.7850 4.7850 6.1081 6.1081 7.5398 7.5398 7.7193 7.7193 8.1019 8.1019 8.5083 8.5083 8.7019 8.7019 9.6655 9.6655 9.7311 9.7311 10.0781 10.0781 10.5381 10.5381 10.6022 10.6022 11.4746 11.4746 11.8087 11.8087 12.2543 12.2543 13.7205 13.7205 k = 0.0000 0.0854-0.0000 ( 7413 PWs) bands (ev): -67.5643 -67.5643 -67.5316 -67.5316 -37.3749 -37.3749 -37.3089 -37.3089 -36.1788 -36.1788 -36.1745 -36.1745 -36.1480 -36.1480 -36.0468 -36.0468 -0.9243 -0.9243 1.7825 1.7825 4.8042 4.8042 6.0757 6.0757 7.4893 7.4893 7.7303 7.7303 8.0136 8.0136 8.5168 8.5168 8.7054 8.7054 9.6693 9.6693 9.7344 9.7344 10.1545 10.1545 10.5238 10.5238 10.6122 10.6122 11.4574 11.4574 11.8326 11.8326 12.2348 12.2348 13.6342 13.6342 k = 0.0000 0.0976-0.0000 ( 7403 PWs) bands (ev): -67.5636 -67.5636 -67.5310 -67.5310 -37.3746 -37.3746 -37.3092 -37.3092 -36.1781 -36.1781 -36.1744 -36.1744 -36.1481 -36.1481 -36.0475 -36.0475 -0.9037 -0.9037 1.7922 1.7922 4.8262 4.8262 6.0367 6.0367 7.4330 7.4330 7.7444 7.7444 7.9288 7.9288 8.5268 8.5268 8.7139 8.7139 9.6726 9.6726 9.7398 9.7398 10.2269 10.2269 10.5108 10.5108 10.6284 10.6284 11.4429 11.4429 11.8571 11.8571 12.2148 12.2148 13.5545 13.5545 k = 0.0000 0.1098-0.0000 ( 7409 PWs) bands (ev): -67.5632 -67.5632 -67.5322 -67.5322 -37.3741 -37.3741 -37.3096 -37.3096 -36.1773 -36.1773 -36.1743 -36.1743 -36.1483 -36.1483 -36.0484 -36.0484 -0.8803 -0.8803 1.8029 1.8029 4.8513 4.8513 5.9883 5.9883 7.3690 7.3690 7.7587 7.7587 7.8495 7.8495 8.5381 8.5381 8.7199 8.7199 9.6715 9.6715 9.7450 9.7450 10.2874 10.2874 10.4950 10.4950 10.6523 10.6523 11.4247 11.4247 11.8792 11.8792 12.1864 12.1864 13.4811 13.4811 k = 0.0000 0.1220-0.0000 ( 7411 PWs) bands (ev): -67.5630 -67.5630 -67.5326 -67.5326 -37.3737 -37.3737 -37.3101 -37.3101 -36.1765 -36.1765 -36.1741 -36.1741 -36.1486 -36.1486 -36.0494 -36.0494 -0.8542 -0.8542 1.8146 1.8146 4.8792 4.8792 5.9332 5.9332 7.3002 7.3002 7.7736 7.7736 7.7789 7.7789 8.5506 8.5506 8.7254 8.7254 9.6710 9.6710 9.7487 9.7487 10.3372 10.3372 10.4786 10.4786 10.6816 10.6816 11.4027 11.4027 11.8983 11.8983 12.1611 12.1611 13.4182 13.4182 k = 0.0000 0.1341-0.0000 ( 7415 PWs) bands (ev): -67.5633 -67.5633 -67.5328 -67.5328 -37.3731 -37.3731 -37.3106 -37.3106 -36.1755 -36.1755 -36.1740 -36.1740 -36.1488 -36.1488 -36.0505 -36.0505 -0.8254 -0.8254 1.8271 1.8271 4.9097 4.9097 5.8703 5.8703 7.2274 7.2274 7.7141 7.7141 7.7929 7.7929 8.5643 8.5643 8.7327 8.7327 9.6695 9.6695 9.7531 9.7531 10.3716 10.3716 10.4594 10.4594 10.7100 10.7100 11.3787 11.3787 11.9131 11.9131 12.1356 12.1356 13.3678 13.3678 k = 0.0000 0.1463-0.0000 ( 7401 PWs) bands (ev): -67.5620 -67.5620 -67.5322 -67.5322 -37.3726 -37.3726 -37.3111 -37.3111 -36.1744 -36.1744 -36.1737 -36.1737 -36.1491 -36.1491 -36.0516 -36.0516 -0.7939 -0.7939 1.8403 1.8403 4.9433 4.9433 5.8009 5.8009 7.1517 7.1517 7.6610 7.6610 7.8140 7.8140 8.5788 8.5788 8.7452 8.7452 9.6685 9.6685 9.7605 9.7605 10.3968 10.3968 10.4422 10.4422 10.7447 10.7447 11.3597 11.3597 11.9233 11.9233 12.1029 12.1029 13.3317 13.3317 k = 0.0000 0.1585-0.0000 ( 7399 PWs) bands (ev): -67.5612 -67.5612 -67.5327 -67.5327 -37.3719 -37.3719 -37.3117 -37.3117 -36.1737 -36.1737 -36.1731 -36.1731 -36.1494 -36.1494 -36.0528 -36.0528 -0.7598 -0.7598 1.8539 1.8539 4.9796 4.9796 5.7230 5.7230 7.0708 7.0708 7.6158 7.6158 7.8352 7.8352 8.5944 8.5944 8.7558 8.7558 9.6650 9.6650 9.7660 9.7660 10.4014 10.4014 10.4375 10.4375 10.7763 10.7763 11.3328 11.3328 11.9240 11.9240 12.0734 12.0734 13.3090 13.3090 k = 0.0000 0.1707-0.0000 ( 7395 PWs) bands (ev): -67.5609 -67.5609 -67.5325 -67.5325 -37.3713 -37.3713 -37.3124 -37.3124 -36.1734 -36.1734 -36.1719 -36.1719 -36.1497 -36.1497 -36.0542 -36.0542 -0.7230 -0.7230 1.8679 1.8679 5.0187 5.0187 5.6394 5.6394 6.9890 6.9890 7.5801 7.5801 7.8578 7.8578 8.6107 8.6107 8.7652 8.7652 9.6607 9.6607 9.7716 9.7716 10.3823 10.3823 10.4455 10.4455 10.8020 10.8020 11.3036 11.3036 11.9205 11.9205 12.0433 12.0433 13.3025 13.3025 k = 0.0000 0.1829-0.0000 ( 7395 PWs) bands (ev): -67.5606 -67.5606 -67.5328 -67.5328 -37.3706 -37.3706 -37.3130 -37.3130 -36.1732 -36.1732 -36.1706 -36.1706 -36.1501 -36.1501 -36.0556 -36.0556 -0.6836 -0.6836 1.8819 1.8819 5.0605 5.0605 5.5499 5.5499 6.9017 6.9017 7.5520 7.5520 7.8820 7.8820 8.6277 8.6277 8.7780 8.7780 9.6550 9.6550 9.7786 9.7786 10.3514 10.3514 10.4552 10.4552 10.8208 10.8208 11.2723 11.2723 11.9041 11.9041 12.0174 12.0174 13.3097 13.3097 k = 0.0000 0.1951-0.0000 ( 7397 PWs) bands (ev): -67.5600 -67.5600 -67.5336 -67.5336 -37.3698 -37.3698 -37.3137 -37.3137 -36.1729 -36.1729 -36.1692 -36.1692 -36.1504 -36.1504 -36.0572 -36.0572 -0.6416 -0.6416 1.8957 1.8957 5.1048 5.1048 5.4564 5.4564 6.8119 6.8119 7.5308 7.5308 7.9078 7.9078 8.6451 8.6451 8.7893 8.7893 9.6477 9.6477 9.7840 9.7840 10.3205 10.3205 10.4644 10.4644 10.8314 10.8314 11.2436 11.2436 11.8794 11.8794 11.9860 11.9860 13.3313 13.3313 k = 0.0000 0.2073-0.0000 ( 7403 PWs) bands (ev): -67.5605 -67.5605 -67.5339 -67.5339 -37.3690 -37.3690 -37.3145 -37.3145 -36.1727 -36.1727 -36.1678 -36.1678 -36.1508 -36.1508 -36.0588 -36.0588 -0.5971 -0.5971 1.9090 1.9090 5.1518 5.1518 5.3605 5.3605 6.7201 6.7201 7.5163 7.5163 7.9350 7.9350 8.6631 8.6631 8.7965 8.7965 9.6393 9.6393 9.7883 9.7883 10.2881 10.2881 10.4716 10.4716 10.8334 10.8334 11.2046 11.2046 11.8476 11.8476 11.9616 11.9616 13.3659 13.3659 k = 0.0000 0.2195-0.0000 ( 7407 PWs) bands (ev): -67.5607 -67.5607 -67.5342 -67.5342 -37.3682 -37.3682 -37.3153 -37.3153 -36.1724 -36.1724 -36.1662 -36.1662 -36.1512 -36.1512 -36.0605 -36.0605 -0.5500 -0.5500 1.9214 1.9214 5.1993 5.1993 5.2651 5.2651 6.6266 6.6266 7.5071 7.5071 7.9636 7.9636 8.6815 8.6815 8.8056 8.8056 9.6295 9.6295 9.7923 9.7923 10.2546 10.2546 10.4782 10.4782 10.8275 10.8275 11.1659 11.1659 11.8099 11.8099 11.9384 11.9384 13.4119 13.4119 k = 0.0000 0.2317-0.0000 ( 7407 PWs) bands (ev): -67.5608 -67.5608 -67.5340 -67.5340 -37.3673 -37.3673 -37.3162 -37.3162 -36.1721 -36.1721 -36.1645 -36.1645 -36.1516 -36.1516 -36.0623 -36.0623 -0.5004 -0.5004 1.9326 1.9326 5.1615 5.1615 5.2574 5.2574 6.5318 6.5318 7.5042 7.5042 7.9936 7.9936 8.7001 8.7001 8.8180 8.8180 9.6180 9.6180 9.7957 9.7957 10.2200 10.2200 10.4817 10.4817 10.8132 10.8132 11.1271 11.1271 11.7677 11.7677 11.9188 11.9188 13.4676 13.4676 k = 0.0000 0.2439-0.0000 ( 7409 PWs) bands (ev): -67.5596 -67.5596 -67.5354 -67.5354 -37.3664 -37.3664 -37.3170 -37.3170 -36.1719 -36.1719 -36.1628 -36.1628 -36.1521 -36.1521 -36.0641 -36.0641 -0.4483 -0.4483 1.9421 1.9421 5.0659 5.0659 5.3111 5.3111 6.4351 6.4351 7.5016 7.5016 8.0225 8.0225 8.7184 8.7184 8.8378 8.8378 9.6046 9.6046 9.8023 9.8023 10.1849 10.1849 10.4873 10.4873 10.7938 10.7938 11.0876 11.0876 11.7194 11.7194 11.8952 11.8952 13.5313 13.5313 k = 0.0000 0.2561-0.0000 ( 7409 PWs) bands (ev): -67.5593 -67.5593 -67.5358 -67.5358 -37.3655 -37.3655 -37.3179 -37.3179 -36.1715 -36.1715 -36.1610 -36.1610 -36.1525 -36.1525 -36.0660 -36.0660 -0.3937 -0.3937 1.9495 1.9495 4.9717 4.9717 5.3680 5.3680 6.3392 6.3392 7.5032 7.5032 8.0550 8.0550 8.7362 8.7362 8.8522 8.8522 9.5894 9.5894 9.8048 9.8048 10.1444 10.1444 10.4928 10.4928 10.7702 10.7702 11.0517 11.0517 11.6740 11.6740 11.8727 11.8727 13.6014 13.6014 k = 0.0000 0.2683-0.0000 ( 7409 PWs) bands (ev): -67.5588 -67.5588 -67.5361 -67.5361 -37.3645 -37.3645 -37.3189 -37.3189 -36.1712 -36.1712 -36.1592 -36.1592 -36.1530 -36.1530 -36.0680 -36.0680 -0.3368 -0.3368 1.9540 1.9540 4.8804 4.8804 5.4279 5.4279 6.2427 6.2427 7.5050 7.5050 8.0891 8.0891 8.7539 8.7539 8.8670 8.8670 9.5725 9.5725 9.8079 9.8079 10.1064 10.1064 10.4972 10.4972 10.7421 10.7421 11.0085 11.0085 11.6273 11.6273 11.8569 11.8569 13.6735 13.6735 k = 0.0000 0.2805-0.0000 ( 7413 PWs) bands (ev): -67.5589 -67.5589 -67.5365 -67.5365 -37.3635 -37.3635 -37.3199 -37.3199 -36.1709 -36.1709 -36.1573 -36.1573 -36.1534 -36.1534 -36.0701 -36.0701 -0.2776 -0.2776 1.9554 1.9554 4.7937 4.7937 5.4901 5.4901 6.1454 6.1454 7.5078 7.5078 8.1239 8.1239 8.7711 8.7711 8.8806 8.8806 9.5541 9.5541 9.8099 9.8099 10.0665 10.0665 10.4994 10.4994 10.7125 10.7125 10.9644 10.9644 11.5771 11.5771 11.8448 11.8448 13.6666 13.6666 k = 0.0000 0.2927-0.0000 ( 7417 PWs) bands (ev): -67.5585 -67.5585 -67.5374 -67.5374 -37.3625 -37.3625 -37.3209 -37.3209 -36.1705 -36.1705 -36.1553 -36.1553 -36.1539 -36.1539 -36.0722 -36.0722 -0.2160 -0.2160 1.9528 1.9528 4.7126 4.7126 5.5547 5.5547 6.0481 6.0481 7.5100 7.5100 8.1597 8.1597 8.7870 8.7870 8.8951 8.8951 9.5346 9.5346 9.8100 9.8100 10.0266 10.0266 10.5029 10.5029 10.6856 10.6856 10.9201 10.9201 11.5263 11.5263 11.8309 11.8309 13.6628 13.6628 k = 0.0000 0.3049-0.0000 ( 7409 PWs) bands (ev): -67.5570 -67.5570 -67.5379 -67.5379 -37.3614 -37.3614 -37.3219 -37.3219 -36.1702 -36.1702 -36.1544 -36.1544 -36.1532 -36.1532 -36.0744 -36.0744 -0.1521 -0.1521 1.9458 1.9458 4.6379 4.6379 5.6215 5.6215 5.9505 5.9505 7.5116 7.5116 8.1965 8.1965 8.8028 8.8028 8.9164 8.9164 9.5151 9.5151 9.8111 9.8111 9.9884 9.9884 10.5055 10.5055 10.6628 10.6628 10.8768 10.8768 11.4730 11.4730 11.8264 11.8264 13.6251 13.6251 k = 0.0000 0.3171-0.0000 ( 7401 PWs) bands (ev): -67.5561 -67.5561 -67.5378 -67.5378 -37.3603 -37.3603 -37.3230 -37.3230 -36.1698 -36.1698 -36.1549 -36.1549 -36.1511 -36.1511 -36.0766 -36.0766 -0.0861 -0.0861 1.9337 1.9337 4.5707 4.5707 5.6900 5.6900 5.8549 5.8549 7.5102 7.5102 8.2348 8.2348 8.8178 8.8178 8.9342 8.9342 9.4947 9.4947 9.8099 9.8099 9.9476 9.9476 10.5023 10.5023 10.6426 10.6426 10.8392 10.8392 11.4254 11.4254 11.8276 11.8276 13.5483 13.5483 k = 0.0000 0.3293-0.0000 ( 7401 PWs) bands (ev): -67.5556 -67.5556 -67.5382 -67.5382 -37.3591 -37.3591 -37.3241 -37.3241 -36.1694 -36.1694 -36.1554 -36.1554 -36.1489 -36.1489 -36.0789 -36.0789 -0.0180 -0.0180 1.9159 1.9159 4.5118 4.5118 5.7478 5.7478 5.7726 5.7726 7.5057 7.5057 8.2729 8.2729 8.8308 8.8308 8.9511 8.9511 9.4747 9.4747 9.8047 9.8047 9.9071 9.9071 10.4947 10.4947 10.6296 10.6296 10.7964 10.7964 11.3767 11.3767 11.8291 11.8291 13.4651 13.4651 k = 0.0000 0.3415-0.0000 ( 7401 PWs) bands (ev): -67.5552 -67.5552 -67.5386 -67.5386 -37.3580 -37.3580 -37.3252 -37.3252 -36.1690 -36.1690 -36.1559 -36.1559 -36.1467 -36.1467 -36.0812 -36.0812 0.0522 0.0522 1.8922 1.8922 4.4617 4.4617 5.6628 5.6628 5.8358 5.8358 7.4971 7.4971 8.3115 8.3115 8.8422 8.8422 8.9670 8.9670 9.4557 9.4557 9.7938 9.7938 9.8693 9.8693 10.4827 10.4827 10.6225 10.6225 10.7598 10.7598 11.3292 11.3292 11.8347 11.8347 13.3780 13.3780 k = 0.0000 0.3537-0.0000 ( 7411 PWs) bands (ev): -67.5552 -67.5552 -67.5398 -67.5398 -37.3568 -37.3568 -37.3264 -37.3264 -36.1686 -36.1686 -36.1565 -36.1565 -36.1444 -36.1444 -36.0837 -36.0837 0.1242 0.1242 1.8620 1.8620 4.4210 4.4210 5.5691 5.5691 5.9101 5.9101 7.4833 7.4833 8.3503 8.3503 8.8515 8.8515 8.9837 8.9837 9.4387 9.4387 9.7737 9.7737 9.8375 9.8375 10.4668 10.4668 10.6200 10.6200 10.7173 10.7173 11.2786 11.2786 11.8422 11.8422 13.2886 13.2886 k = 0.0000 0.3659-0.0000 ( 7415 PWs) bands (ev): -67.5547 -67.5547 -67.5408 -67.5408 -37.3556 -37.3556 -37.3275 -37.3275 -36.1682 -36.1682 -36.1570 -36.1570 -36.1421 -36.1421 -36.0861 -36.0861 0.1981 0.1981 1.8254 1.8254 4.3900 4.3900 5.4769 5.4769 5.9862 5.9862 7.4634 7.4634 8.3897 8.3897 8.8598 8.8598 9.0046 9.0046 9.4237 9.4237 9.7448 9.7448 9.8156 9.8156 10.4496 10.4496 10.6144 10.6144 10.6836 10.6836 11.2314 11.2314 11.8570 11.8570 13.1992 13.1992 k = 0.0000 0.3780-0.0000 ( 7409 PWs) bands (ev): -67.5545 -67.5545 -67.5403 -67.5403 -37.3544 -37.3544 -37.3288 -37.3288 -36.1677 -36.1677 -36.1575 -36.1575 -36.1397 -36.1397 -36.0886 -36.0886 0.2738 0.2738 1.7824 1.7824 4.3689 4.3689 5.3870 5.3870 6.0639 6.0639 7.4390 7.4390 8.4306 8.4306 8.8666 8.8666 9.0251 9.0251 9.4132 9.4132 9.7073 9.7073 9.7974 9.7974 10.4373 10.4373 10.6014 10.6014 10.6648 10.6648 11.1913 11.1913 11.8789 11.8789 13.1093 13.1093 k = 0.0000 0.3902-0.0000 ( 7421 PWs) bands (ev): -67.5540 -67.5540 -67.5423 -67.5423 -37.3532 -37.3532 -37.3300 -37.3300 -36.1673 -36.1673 -36.1581 -36.1581 -36.1373 -36.1373 -36.0911 -36.0911 0.3511 0.3511 1.7330 1.7330 4.3574 4.3574 5.2978 5.2978 6.1429 6.1429 7.4075 7.4075 8.4679 8.4679 8.8681 8.8681 9.0459 9.0459 9.4067 9.4067 9.6651 9.6651 9.7796 9.7796 10.4214 10.4214 10.5773 10.5773 10.6644 10.6644 11.1437 11.1437 11.8955 11.8955 13.0187 13.0187 k = 0.0000 0.4024-0.0000 ( 7425 PWs) bands (ev): -67.5545 -67.5545 -67.5423 -67.5423 -37.3519 -37.3519 -37.3312 -37.3312 -36.1669 -36.1669 -36.1586 -36.1586 -36.1349 -36.1349 -36.0936 -36.0936 0.4298 0.4298 1.6778 1.6778 4.3555 4.3555 5.2113 5.2113 6.2230 6.2230 7.3703 7.3703 8.5065 8.5065 8.8686 8.8686 9.0660 9.0660 9.4049 9.4049 9.6203 9.6203 9.7608 9.7608 10.4158 10.4158 10.5468 10.5468 10.6679 10.6679 11.1030 11.1030 11.9230 11.9230 12.9287 12.9287 k = 0.0000 0.4146-0.0000 ( 7415 PWs) bands (ev): -67.5532 -67.5532 -67.5423 -67.5423 -37.3506 -37.3506 -37.3325 -37.3325 -36.1664 -36.1664 -36.1592 -36.1592 -36.1324 -36.1324 -36.0961 -36.0961 0.5100 0.5100 1.6172 1.6172 4.3628 4.3628 5.1271 5.1271 6.3040 6.3040 7.3263 7.3263 8.5471 8.5471 8.8673 8.8673 9.0928 9.0928 9.4090 9.4090 9.5781 9.5781 9.7396 9.7396 10.4072 10.4072 10.5227 10.5227 10.6833 10.6833 11.0645 11.0645 11.9561 11.9561 12.8430 12.8430 k = 0.0000 0.4268-0.0000 ( 7411 PWs) bands (ev): -67.5517 -67.5517 -67.5434 -67.5434 -37.3493 -37.3493 -37.3337 -37.3337 -36.1659 -36.1659 -36.1597 -36.1597 -36.1299 -36.1299 -36.0987 -36.0987 0.5912 0.5912 1.5516 1.5516 4.3786 4.3786 5.0452 5.0452 6.3858 6.3858 7.2757 7.2757 8.5846 8.5846 8.8626 8.8626 9.1200 9.1200 9.4171 9.4171 9.5370 9.5370 9.7190 9.7190 10.3991 10.3991 10.5002 10.5002 10.6985 10.6985 11.0249 11.0249 11.9917 11.9917 12.7591 12.7591 k = 0.0000 0.4390-0.0000 ( 7415 PWs) bands (ev): -67.5512 -67.5512 -67.5444 -67.5444 -37.3481 -37.3481 -37.3350 -37.3350 -36.1654 -36.1654 -36.1602 -36.1602 -36.1273 -36.1273 -36.1013 -36.1013 0.6735 0.6735 1.4817 1.4817 4.4025 4.4025 4.9658 4.9658 6.4679 6.4679 7.2191 7.2191 8.6206 8.6206 8.8553 8.8553 9.1454 9.1454 9.4288 9.4288 9.4960 9.4960 9.6935 9.6935 10.3944 10.3944 10.4772 10.4772 10.7157 10.7157 10.9845 10.9845 12.0332 12.0332 12.6755 12.6755 k = 0.0000 0.4512-0.0000 ( 7425 PWs) bands (ev): -67.5509 -67.5509 -67.5460 -67.5460 -37.3468 -37.3468 -37.3363 -37.3363 -36.1650 -36.1650 -36.1608 -36.1608 -36.1248 -36.1248 -36.1039 -36.1039 0.7564 0.7564 1.4082 1.4082 4.4338 4.4338 4.8899 4.8899 6.5499 6.5499 7.1576 7.1576 8.6547 8.6547 8.8426 8.8426 9.1718 9.1718 9.4354 9.4354 9.4625 9.4625 9.6662 9.6662 10.3895 10.3895 10.4568 10.4568 10.7324 10.7324 10.9498 10.9498 12.0736 12.0736 12.5943 12.5943 k = 0.0000 0.4634-0.0000 ( 7415 PWs) bands (ev): -67.5493 -67.5493 -67.5462 -67.5462 -37.3455 -37.3455 -37.3376 -37.3376 -36.1644 -36.1644 -36.1613 -36.1613 -36.1222 -36.1222 -36.1065 -36.1065 0.8399 0.8399 1.3318 1.3318 4.4724 4.4724 4.8173 4.8173 6.6324 6.6324 7.0918 7.0918 8.6874 8.6874 8.8291 8.8291 9.2005 9.2005 9.4063 9.4063 9.4732 9.4732 9.6396 9.6396 10.3937 10.3937 10.4429 10.4429 10.7589 10.7589 10.9176 10.9176 12.1238 12.1238 12.5166 12.5166 k = 0.0000 0.4756-0.0000 ( 7418 PWs) bands (ev): -67.5491 -67.5491 -67.5469 -67.5469 -37.3441 -37.3441 -37.3389 -37.3389 -36.1639 -36.1639 -36.1618 -36.1618 -36.1196 -36.1196 -36.1091 -36.1091 0.9235 0.9235 1.2529 1.2529 4.5170 4.5170 4.7485 4.7485 6.7136 6.7136 7.0217 7.0217 8.7177 8.7177 8.8127 8.8127 9.2304 9.2304 9.3686 9.3686 9.4962 9.4962 9.6108 9.6108 10.3940 10.3940 10.4246 10.4246 10.7806 10.7806 10.8870 10.8870 12.1791 12.1791 12.4416 12.4416 k = 0.0000 0.4878-0.0000 ( 7416 PWs) bands (ev): -67.5485 -67.5485 -67.5472 -67.5472 -37.3428 -37.3428 -37.3402 -37.3402 -36.1634 -36.1634 -36.1624 -36.1624 -36.1170 -36.1170 -36.1118 -36.1118 1.0070 1.0070 1.1721 1.1721 4.5674 4.5674 4.6836 4.6836 6.7935 6.7935 6.9483 6.9483 8.7457 8.7457 8.7934 8.7934 9.2623 9.2623 9.3316 9.3316 9.5228 9.5228 9.5807 9.5807 10.4014 10.4014 10.4131 10.4131 10.8045 10.8045 10.8581 10.8581 12.2387 12.2387 12.3703 12.3703 k = 0.0000 0.5000-0.0000 ( 7418 PWs) bands (ev): -67.5480 -67.5480 -67.5480 -67.5480 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.0900 1.0900 1.0900 1.0900 4.6231 4.6231 4.6231 4.6231 6.8720 6.8720 6.8720 6.8720 8.7710 8.7710 8.7710 8.7710 9.2960 9.2960 9.2961 9.2961 9.5512 9.5512 9.5512 9.5512 10.4042 10.4042 10.4043 10.4043 10.8306 10.8306 10.8306 10.8306 12.3025 12.3025 12.3025 12.3025 k = 0.0000 0.5000-0.0000 ( 7418 PWs) bands (ev): -67.5480 -67.5480 -67.5480 -67.5480 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.0900 1.0900 1.0900 1.0900 4.6231 4.6231 4.6231 4.6231 6.8720 6.8720 6.8720 6.8720 8.7710 8.7710 8.7710 8.7710 9.2960 9.2960 9.2961 9.2961 9.5512 9.5512 9.5512 9.5512 10.4042 10.4042 10.4043 10.4043 10.8306 10.8306 10.8306 10.8306 12.3025 12.3025 12.3025 12.3025 k = 0.0122 0.5000-0.0000 ( 7418 PWs) bands (ev): -67.5480 -67.5480 -67.5480 -67.5480 -37.3415 -37.3415 -37.3415 -37.3415 -36.1630 -36.1630 -36.1630 -36.1630 -36.1143 -36.1143 -36.1143 -36.1143 1.0911 1.0911 1.0912 1.0912 4.6238 4.6238 4.6238 4.6238 6.8731 6.8731 6.8734 6.8734 8.7629 8.7629 8.7684 8.7684 9.2772 9.2772 9.2915 9.2915 9.5569 9.5569 9.5671 9.5671 10.4036 10.4036 10.4039 10.4039 10.8300 10.8300 10.8315 10.8315 12.2943 12.2943 12.2969 12.2969 k = 0.0244 0.5000-0.0000 ( 7428 PWs) bands (ev): -67.5487 -67.5487 -67.5487 -67.5487 -37.3416 -37.3416 -37.3415 -37.3415 -36.1633 -36.1633 -36.1632 -36.1632 -36.1141 -36.1141 -36.1141 -36.1141 1.0945 1.0945 1.0947 1.0947 4.6261 4.6261 4.6262 4.6262 6.8766 6.8766 6.8771 6.8771 8.7430 8.7430 8.7537 8.7537 9.2410 9.2410 9.2651 9.2651 9.5784 9.5784 9.5945 9.5945 10.4007 10.4007 10.4013 10.4013 10.8297 10.8297 10.8327 10.8327 12.2724 12.2724 12.2775 12.2775 k = 0.0366 0.5000-0.0000 ( 7420 PWs) bands (ev): -67.5481 -67.5481 -67.5481 -67.5481 -37.3416 -37.3416 -37.3416 -37.3416 -36.1636 -36.1636 -36.1635 -36.1635 -36.1137 -36.1137 -36.1136 -36.1136 1.1002 1.1002 1.1004 1.1004 4.6300 4.6300 4.6301 4.6301 6.8831 6.8831 6.8839 6.8839 8.7141 8.7141 8.7296 8.7296 9.2000 9.2000 9.2304 9.2304 9.6132 9.6132 9.6322 9.6322 10.3992 10.3992 10.4001 10.4001 10.8308 10.8308 10.8352 10.8352 12.2411 12.2411 12.2486 12.2486 k = 0.0488 0.5000-0.0000 ( 7424 PWs) bands (ev): -67.5484 -67.5484 -67.5484 -67.5484 -37.3416 -37.3416 -37.3416 -37.3416 -36.1642 -36.1642 -36.1640 -36.1640 -36.1132 -36.1132 -36.1131 -36.1131 1.1081 1.1081 1.1085 1.1085 4.6354 4.6354 4.6355 4.6355 6.8919 6.8919 6.8929 6.8929 8.6730 8.6730 8.6925 8.6925 9.1550 9.1550 9.1893 9.1893 9.6479 9.6479 9.6681 9.6681 10.3949 10.3949 10.3961 10.3961 10.8320 10.8320 10.8377 10.8377 12.2019 12.2019 12.2113 12.2113 k = 0.0610 0.5000-0.0000 ( 7420 PWs) bands (ev): -67.5481 -67.5481 -67.5481 -67.5481 -37.3417 -37.3417 -37.3416 -37.3416 -36.1648 -36.1648 -36.1647 -36.1647 -36.1125 -36.1125 -36.1124 -36.1124 1.1184 1.1184 1.1188 1.1188 4.6424 4.6424 4.6424 4.6424 6.9033 6.9033 6.9046 6.9046 8.6214 8.6214 8.6440 8.6440 9.1117 9.1117 9.1483 9.1483 9.6853 9.6853 9.7061 9.7061 10.3903 10.3903 10.3918 10.3918 10.8346 10.8346 10.8417 10.8417 12.1575 12.1575 12.1687 12.1687 k = 0.0732 0.5000-0.0000 ( 7418 PWs) bands (ev): -67.5480 -67.5480 -67.5480 -67.5480 -37.3417 -37.3417 -37.3417 -37.3417 -36.1656 -36.1656 -36.1654 -36.1654 -36.1117 -36.1117 -36.1116 -36.1116 1.1309 1.1309 1.1314 1.1314 4.6508 4.6508 4.6508 4.6508 6.9171 6.9171 6.9187 6.9187 8.5585 8.5585 8.5832 8.5832 9.0704 9.0704 9.1082 9.1082 9.7189 9.7189 9.7399 9.7399 10.3872 10.3872 10.3890 10.3890 10.8374 10.8374 10.8456 10.8456 12.1099 12.1099 12.1225 12.1225 k = 0.0854 0.5000-0.0000 ( 7426 PWs) bands (ev): -67.5485 -67.5485 -67.5485 -67.5485 -37.3418 -37.3418 -37.3418 -37.3418 -36.1665 -36.1665 -36.1663 -36.1663 -36.1108 -36.1108 -36.1107 -36.1107 1.1456 1.1456 1.1462 1.1462 4.6606 4.6606 4.6607 4.6607 6.9337 6.9337 6.9356 6.9356 8.4851 8.4851 8.5107 8.5107 9.0285 9.0285 9.0661 9.0661 9.7481 9.7481 9.7690 9.7690 10.3814 10.3814 10.3835 10.3835 10.8399 10.8399 10.8492 10.8492 12.0615 12.0615 12.0754 12.0754 k = 0.0976 0.5000-0.0000 ( 7418 PWs) bands (ev): -67.5480 -67.5480 -67.5480 -67.5480 -37.3419 -37.3419 -37.3418 -37.3418 -36.1675 -36.1675 -36.1672 -36.1672 -36.1098 -36.1098 -36.1096 -36.1096 1.1625 1.1625 1.1633 1.1633 4.6719 4.6719 4.6720 4.6720 6.9526 6.9526 6.9548 6.9548 8.4037 8.4037 8.4296 8.4296 8.9938 8.9938 9.0308 9.0308 9.7716 9.7716 9.7924 9.7924 10.3818 10.3818 10.3840 10.3840 10.8452 10.8452 10.8554 10.8554 12.0142 12.0142 12.0292 12.0292 k = 0.1098 0.5000-0.0000 ( 7414 PWs) bands (ev): -67.5477 -67.5477 -67.5477 -67.5477 -37.3420 -37.3420 -37.3419 -37.3419 -36.1685 -36.1685 -36.1682 -36.1682 -36.1088 -36.1088 -36.1085 -36.1085 1.1816 1.1816 1.1824 1.1824 4.6845 4.6845 4.6847 4.6847 6.9741 6.9741 6.9766 6.9766 8.3155 8.3155 8.3413 8.3413 8.9588 8.9588 8.9946 8.9946 9.7893 9.7893 9.8098 9.8098 10.3810 10.3810 10.3831 10.3831 10.8493 10.8493 10.8604 10.8604 11.9713 11.9713 11.9874 11.9874 k = 0.1220 0.5000-0.0000 ( 7422 PWs) bands (ev): -67.5482 -67.5482 -67.5482 -67.5482 -37.3421 -37.3421 -37.3420 -37.3420 -36.1696 -36.1696 -36.1693 -36.1693 -36.1077 -36.1077 -36.1074 -36.1074 1.2029 1.2029 1.2038 1.2038 4.6985 4.6985 4.6987 4.6987 6.9975 6.9975 7.0003 7.0003 8.2205 8.2205 8.2459 8.2459 8.9224 8.9224 8.9570 8.9570 9.7949 9.7949 9.8149 9.8149 10.3817 10.3817 10.3835 10.3835 10.8533 10.8533 10.8652 10.8652 11.9321 11.9321 11.9490 11.9490 k = 0.1341 0.5000-0.0000 ( 7418 PWs) bands (ev): -67.5480 -67.5480 -67.5480 -67.5480 -37.3422 -37.3422 -37.3421 -37.3421 -36.1707 -36.1707 -36.1704 -36.1704 -36.1065 -36.1065 -36.1062 -36.1062 1.2263 1.2263 1.2273 1.2273 4.7137 4.7137 4.7140 4.7140 7.0240 7.0240 7.0271 7.0271 8.1200 8.1200 8.1449 8.1449 8.8876 8.8876 8.9208 8.9208 9.8011 9.8011 9.8205 9.8205 10.3859 10.3859 10.3872 10.3872 10.8587 10.8587 10.8712 10.8712 11.8939 11.8939 11.9116 11.9116 k = 0.1463 0.5000-0.0000 ( 7414 PWs) bands (ev): -67.5477 -67.5477 -67.5477 -67.5477 -37.3423 -37.3423 -37.3422 -37.3422 -36.1719 -36.1719 -36.1716 -36.1716 -36.1052 -36.1052 -36.1050 -36.1050 1.2517 1.2517 1.2527 1.2527 4.7298 4.7298 4.7302 4.7302 7.0529 7.0529 7.0563 7.0563 8.0161 8.0161 8.0405 8.0405 8.8505 8.8505 8.8823 8.8823 9.8013 9.8013 9.8198 9.8198 10.3927 10.3927 10.3933 10.3933 10.8638 10.8638 10.8770 10.8770 11.8619 11.8619 11.8802 11.8802 k = 0.1585 0.5000-0.0000 ( 7418 PWs) bands (ev): -67.5480 -67.5480 -67.5480 -67.5480 -37.3424 -37.3424 -37.3424 -37.3424 -36.1731 -36.1731 -36.1728 -36.1728 -36.1040 -36.1040 -36.1037 -36.1037 1.2792 1.2792 1.2803 1.2803 4.7473 4.7473 4.7477 4.7477 7.0836 7.0836 7.0874 7.0874 7.9080 7.9080 7.9320 7.9320 8.8135 8.8135 8.8441 8.8441 9.7918 9.7918 9.8093 9.8093 10.4005 10.4005 10.4007 10.4007 10.8686 10.8686 10.8823 10.8823 11.8311 11.8311 11.8499 11.8499 k = 0.1707 0.5000-0.0000 ( 7422 PWs) bands (ev): -67.5483 -67.5483 -67.5483 -67.5483 -37.3426 -37.3426 -37.3425 -37.3425 -36.1743 -36.1743 -36.1740 -36.1740 -36.1027 -36.1027 -36.1025 -36.1025 1.3085 1.3085 1.3097 1.3097 4.7655 4.7655 4.7661 4.7661 7.1163 7.1163 7.1207 7.1207 7.7981 7.7981 7.8218 7.8218 8.7768 8.7768 8.8061 8.8061 9.7785 9.7785 9.7951 9.7951 10.4080 10.4080 10.4091 10.4091 10.8701 10.8701 10.8842 10.8842 11.8042 11.8042 11.8235 11.8235 k = 0.1829 0.5000-0.0000 ( 7410 PWs) bands (ev): -67.5475 -67.5475 -67.5475 -67.5475 -37.3427 -37.3427 -37.3426 -37.3426 -36.1755 -36.1755 -36.1752 -36.1752 -36.1014 -36.1014 -36.1012 -36.1012 1.3399 1.3399 1.3411 1.3411 4.7849 4.7849 4.7856 4.7856 7.1517 7.1517 7.1566 7.1566 7.6881 7.6881 7.7117 7.7117 8.7382 8.7382 8.7664 8.7664 9.7616 9.7616 9.7771 9.7771 10.4196 10.4196 10.4215 10.4215 10.8746 10.8746 10.8891 10.8891 11.7875 11.7875 11.8072 11.8072 k = 0.1951 0.5000-0.0000 ( 7410 PWs) bands (ev): -67.5475 -67.5475 -67.5475 -67.5475 -37.3428 -37.3428 -37.3427 -37.3427 -36.1767 -36.1767 -36.1764 -36.1764 -36.1001 -36.1001 -36.0999 -36.0999 1.3730 1.3730 1.3743 1.3743 4.8047 4.8047 4.8056 4.8056 7.1887 7.1887 7.1944 7.1944 7.5755 7.5755 7.5992 7.5992 8.6983 8.6983 8.7255 8.7255 9.7406 9.7406 9.7552 9.7552 10.4295 10.4295 10.4324 10.4324 10.8781 10.8781 10.8928 10.8928 11.7682 11.7682 11.7882 11.7882 k = 0.2073 0.5000-0.0000 ( 7406 PWs) bands (ev): -67.5473 -67.5473 -67.5473 -67.5473 -37.3430 -37.3430 -37.3429 -37.3429 -36.1779 -36.1779 -36.1776 -36.1776 -36.0988 -36.0988 -36.0986 -36.0986 1.4078 1.4078 1.4092 1.4092 4.8250 4.8250 4.8261 4.8261 7.2274 7.2274 7.2343 7.2343 7.4630 7.4630 7.4874 7.4874 8.6573 8.6573 8.6833 8.6833 9.7166 9.7166 9.7304 9.7304 10.4407 10.4407 10.4442 10.4442 10.8823 10.8823 10.8972 10.8972 11.7536 11.7536 11.7739 11.7739 k = 0.2195 0.5000-0.0000 ( 7408 PWs) bands (ev): -67.5474 -67.5474 -67.5474 -67.5474 -37.3431 -37.3431 -37.3430 -37.3430 -36.1791 -36.1791 -36.1788 -36.1788 -36.0976 -36.0976 -36.0973 -36.0973 1.4443 1.4443 1.4458 1.4458 4.8456 4.8456 4.8469 4.8469 7.2640 7.2640 7.2748 7.2748 7.3515 7.3515 7.3792 7.3792 8.6151 8.6151 8.6401 8.6401 9.6894 9.6894 9.7025 9.7025 10.4491 10.4491 10.4532 10.4532 10.8861 10.8861 10.9010 10.9010 11.7404 11.7404 11.7608 11.7608 k = 0.2317 0.5000-0.0000 ( 7420 PWs) bands (ev): -67.5482 -67.5482 -67.5482 -67.5482 -37.3433 -37.3433 -37.3432 -37.3432 -36.1803 -36.1803 -36.1800 -36.1800 -36.0964 -36.0964 -36.0961 -36.0961 1.4823 1.4823 1.4838 1.4838 4.8662 4.8662 4.8678 4.8678 7.2353 7.2353 7.2456 7.2456 7.3229 7.3229 7.3289 7.3289 8.5700 8.5700 8.5940 8.5940 9.6605 9.6605 9.6729 9.6729 10.4566 10.4566 10.4612 10.4612 10.8850 10.8850 10.8999 10.8999 11.7268 11.7268 11.7473 11.7473 k = 0.2439 0.5000-0.0000 ( 7416 PWs) bands (ev): -67.5480 -67.5480 -67.5480 -67.5480 -37.3434 -37.3434 -37.3433 -37.3433 -36.1814 -36.1814 -36.1811 -36.1811 -36.0951 -36.0951 -36.0949 -36.0949 1.5218 1.5218 1.5233 1.5233 4.8868 4.8868 4.8886 4.8886 7.1260 7.1260 7.1434 7.1434 7.3660 7.3660 7.3676 7.3676 8.5258 8.5258 8.5488 8.5488 9.6304 9.6304 9.6422 9.6422 10.4648 10.4648 10.4698 10.4698 10.8919 10.8919 10.9066 10.9066 11.7181 11.7181 11.7387 11.7387 k = 0.2561 0.5000-0.0000 ( 7416 PWs) bands (ev): -67.5480 -67.5480 -67.5480 -67.5480 -37.3436 -37.3436 -37.3435 -37.3435 -36.1825 -36.1825 -36.1822 -36.1822 -36.0939 -36.0939 -36.0937 -36.0937 1.5625 1.5625 1.5641 1.5641 4.9070 4.9070 4.9091 4.9091 7.0178 7.0178 7.0365 7.0365 7.4116 7.4116 7.4150 7.4150 8.4816 8.4816 8.5036 8.5036 9.5990 9.5990 9.6102 9.6102 10.4707 10.4707 10.4760 10.4760 10.8943 10.8943 10.9088 10.9088 11.7104 11.7104 11.7309 11.7309 k = 0.2683 0.5000-0.0000 ( 7412 PWs) bands (ev): -67.5477 -67.5477 -67.5477 -67.5477 -37.3437 -37.3437 -37.3436 -37.3436 -36.1836 -36.1836 -36.1833 -36.1833 -36.0927 -36.0927 -36.0925 -36.0925 1.6044 1.6044 1.6061 1.6061 4.9266 4.9266 4.9291 4.9291 6.9128 6.9128 6.9319 6.9319 7.4597 7.4597 7.4640 7.4640 8.4369 8.4369 8.4579 8.4579 9.5685 9.5685 9.5793 9.5793 10.4732 10.4732 10.4785 10.4785 10.8946 10.8946 10.9086 10.9086 11.7072 11.7072 11.7276 11.7276 k = 0.2805 0.5000-0.0000 ( 7400 PWs) bands (ev): -67.5470 -67.5470 -67.5470 -67.5470 -37.3439 -37.3439 -37.3438 -37.3438 -36.1846 -36.1846 -36.1843 -36.1843 -36.0916 -36.0916 -36.0913 -36.0913 1.6473 1.6473 1.6490 1.6490 4.9451 4.9451 4.9480 4.9480 6.8106 6.8106 6.8299 6.8299 7.5100 7.5100 7.5150 7.5150 8.3923 8.3923 8.4122 8.4122 9.5386 9.5386 9.5490 9.5490 10.4759 10.4759 10.4811 10.4811 10.8997 10.8997 10.9132 10.9132 11.7047 11.7047 11.7248 11.7248 k = 0.2927 0.5000-0.0000 ( 7390 PWs) bands (ev): -67.5463 -67.5463 -67.5463 -67.5463 -37.3440 -37.3440 -37.3439 -37.3439 -36.1856 -36.1856 -36.1853 -36.1853 -36.0905 -36.0905 -36.0902 -36.0902 1.6910 1.6910 1.6927 1.6927 4.9623 4.9623 4.9655 4.9655 6.7126 6.7126 6.7320 6.7320 7.5616 7.5616 7.5672 7.5672 8.3481 8.3481 8.3669 8.3669 9.5052 9.5052 9.5152 9.5152 10.4771 10.4771 10.4822 10.4822 10.9038 10.9038 10.9166 10.9166 11.7029 11.7029 11.7227 11.7227 k = 0.3049 0.5000-0.0000 ( 7390 PWs) bands (ev): -67.5463 -67.5463 -67.5463 -67.5463 -37.3441 -37.3441 -37.3440 -37.3440 -36.1866 -36.1866 -36.1863 -36.1863 -36.0894 -36.0894 -36.0892 -36.0892 1.7352 1.7352 1.7369 1.7369 4.9772 4.9772 4.9808 4.9808 6.6188 6.6188 6.6383 6.6383 7.6146 7.6146 7.6209 7.6209 8.3031 8.3031 8.3206 8.3206 9.4708 9.4708 9.4805 9.4805 10.4765 10.4765 10.4813 10.4813 10.9050 10.9050 10.9172 10.9172 11.6991 11.6991 11.7185 11.7185 k = 0.3171 0.5000-0.0000 ( 7390 PWs) bands (ev): -67.5463 -67.5463 -67.5463 -67.5463 -37.3443 -37.3443 -37.3442 -37.3442 -36.1875 -36.1875 -36.1872 -36.1872 -36.0884 -36.0884 -36.0882 -36.0882 1.7798 1.7798 1.7815 1.7815 4.9895 4.9895 4.9935 4.9935 6.5306 6.5306 6.5500 6.5500 7.6685 7.6685 7.6755 7.6755 8.2588 8.2588 8.2749 8.2749 9.4367 9.4367 9.4461 9.4461 10.4742 10.4742 10.4787 10.4787 10.9055 10.9055 10.9169 10.9169 11.6949 11.6949 11.7138 11.7138 k = 0.3293 0.5000-0.0000 ( 7386 PWs) bands (ev): -67.5461 -67.5461 -67.5461 -67.5461 -37.3444 -37.3444 -37.3443 -37.3443 -36.1884 -36.1884 -36.1881 -36.1881 -36.0875 -36.0875 -36.0872 -36.0872 1.8245 1.8245 1.8261 1.8261 4.9993 4.9993 5.0036 5.0036 6.4490 6.4490 6.4683 6.4683 7.7229 7.7229 7.7308 7.7308 8.2156 8.2156 8.2301 8.2301 9.4011 9.4011 9.4101 9.4101 10.4709 10.4709 10.4750 10.4750 10.9045 10.9045 10.9151 10.9151 11.6945 11.6945 11.7129 11.7129 k = 0.3415 0.5000-0.0000 ( 7378 PWs) bands (ev): -67.5456 -67.5456 -67.5456 -67.5456 -37.3445 -37.3445 -37.3444 -37.3444 -36.1892 -36.1892 -36.1889 -36.1889 -36.0866 -36.0866 -36.0863 -36.0863 1.8689 1.8689 1.8705 1.8705 5.0057 5.0057 5.0103 5.0103 6.3742 6.3742 6.3933 6.3933 7.7781 7.7781 7.7872 7.7872 8.1736 8.1736 8.1861 8.1861 9.3653 9.3653 9.3741 9.3741 10.4689 10.4689 10.4726 10.4726 10.9049 10.9049 10.9147 10.9147 11.6933 11.6933 11.7110 11.7110 k = 0.3537 0.5000-0.0000 ( 7378 PWs) bands (ev): -67.5456 -67.5456 -67.5456 -67.5456 -37.3446 -37.3446 -37.3445 -37.3445 -36.1899 -36.1899 -36.1897 -36.1897 -36.0857 -36.0857 -36.0855 -36.0855 1.9128 1.9128 1.9143 1.9143 5.0079 5.0079 5.0128 5.0128 6.3065 6.3065 6.3251 6.3251 7.8326 7.8326 7.8435 7.8435 8.1330 8.1330 8.1429 8.1429 9.3305 9.3305 9.3390 9.3390 10.4647 10.4647 10.4680 10.4680 10.9031 10.9031 10.9120 10.9120 11.6894 11.6894 11.7064 11.7064 k = 0.3659 0.5000-0.0000 ( 7378 PWs) bands (ev): -67.5456 -67.5456 -67.5456 -67.5456 -37.3448 -37.3448 -37.3447 -37.3447 -36.1906 -36.1906 -36.1904 -36.1904 -36.0850 -36.0850 -36.0847 -36.0847 1.9557 1.9557 1.9572 1.9572 5.0064 5.0064 5.0114 5.0114 6.2471 6.2471 6.2652 6.2652 7.8857 7.8857 7.8997 7.8997 8.0956 8.0956 8.1014 8.1014 9.2935 9.2935 9.3018 9.3018 10.4553 10.4553 10.4581 10.4581 10.9017 10.9017 10.9097 10.9097 11.6907 11.6907 11.7067 11.7067 k = 0.3780 0.5000-0.0000 ( 7378 PWs) bands (ev): -67.5456 -67.5456 -67.5456 -67.5456 -37.3449 -37.3449 -37.3448 -37.3448 -36.1913 -36.1913 -36.1910 -36.1910 -36.0843 -36.0843 -36.0840 -36.0840 1.9973 1.9973 1.9988 1.9988 5.0010 5.0010 5.0060 5.0060 6.1961 6.1961 6.2133 6.2133 7.9339 7.9339 7.9549 7.9549 8.0629 8.0629 8.0651 8.0651 9.2544 9.2544 9.2623 9.2623 10.4479 10.4479 10.4503 10.4503 10.9000 10.9000 10.9072 10.9072 11.6911 11.6911 11.7062 11.7062 k = 0.3902 0.5000-0.0000 ( 7380 PWs) bands (ev): -67.5458 -67.5458 -67.5458 -67.5458 -37.3450 -37.3450 -37.3449 -37.3449 -36.1919 -36.1919 -36.1916 -36.1916 -36.0836 -36.0836 -36.0834 -36.0834 2.0372 2.0372 2.0386 2.0386 4.9920 4.9920 4.9968 4.9968 6.1534 6.1534 6.1696 6.1696 7.9633 7.9633 8.0003 8.0003 8.0355 8.0355 8.0548 8.0548 9.2156 9.2156 9.2232 9.2232 10.4382 10.4382 10.4402 10.4402 10.8960 10.8960 10.9023 10.9023 11.6926 11.6926 11.7065 11.7065 k = 0.4024 0.5000-0.0000 ( 7368 PWs) bands (ev): -67.5450 -67.5450 -67.5450 -67.5450 -37.3450 -37.3450 -37.3450 -37.3450 -36.1924 -36.1924 -36.1921 -36.1921 -36.0830 -36.0830 -36.0828 -36.0828 2.0749 2.0749 2.0762 2.0762 4.9797 4.9797 4.9842 4.9842 6.1191 6.1191 6.1340 6.1340 7.9566 7.9566 7.9838 7.9838 8.0719 8.0719 8.0828 8.0828 9.1786 9.1786 9.1858 9.1858 10.4328 10.4328 10.4344 10.4344 10.8976 10.8976 10.9031 10.9031 11.6938 11.6938 11.7064 11.7064 k = 0.4146 0.5000-0.0000 ( 7368 PWs) bands (ev): -67.5450 -67.5450 -67.5450 -67.5450 -37.3451 -37.3451 -37.3450 -37.3450 -36.1929 -36.1929 -36.1926 -36.1926 -36.0825 -36.0825 -36.0822 -36.0822 2.1098 2.1098 2.1110 2.1110 4.9648 4.9648 4.9690 4.9690 6.0914 6.0914 6.1049 6.1049 7.9338 7.9338 7.9531 7.9531 8.1232 8.1232 8.1275 8.1275 9.1409 9.1409 9.1476 9.1476 10.4247 10.4247 10.4260 10.4260 10.8983 10.8983 10.9029 10.9029 11.6922 11.6922 11.7035 11.7035 k = 0.4268 0.5000-0.0000 ( 7362 PWs) bands (ev): -67.5446 -67.5446 -67.5446 -67.5446 -37.3452 -37.3452 -37.3451 -37.3451 -36.1933 -36.1933 -36.1930 -36.1930 -36.0820 -36.0820 -36.0818 -36.0818 2.1415 2.1415 2.1425 2.1425 4.9489 4.9489 4.9525 4.9525 6.0707 6.0707 6.0827 6.0827 7.9096 7.9096 7.9246 7.9246 8.1731 8.1731 8.1746 8.1746 9.1043 9.1043 9.1105 9.1105 10.4202 10.4202 10.4212 10.4212 10.8967 10.8967 10.9005 10.9005 11.6934 11.6934 11.7033 11.7033 k = 0.4390 0.5000-0.0000 ( 7362 PWs) bands (ev): -67.5447 -67.5447 -67.5446 -67.5446 -37.3452 -37.3452 -37.3452 -37.3452 -36.1936 -36.1936 -36.1934 -36.1934 -36.0816 -36.0816 -36.0814 -36.0814 2.1694 2.1694 2.1703 2.1703 4.9326 4.9326 4.9356 4.9356 6.0554 6.0554 6.0656 6.0656 7.8873 7.8873 7.8991 7.8991 8.2202 8.2202 8.2203 8.2203 9.0714 9.0714 9.0770 9.0770 10.4155 10.4155 10.4162 10.4162 10.8920 10.8920 10.8952 10.8952 11.6904 11.6904 11.6987 11.6987 k = 0.4512 0.5000-0.0000 ( 7354 PWs) bands (ev): -67.5442 -67.5442 -67.5441 -67.5441 -37.3453 -37.3453 -37.3452 -37.3452 -36.1939 -36.1939 -36.1937 -36.1937 -36.0813 -36.0813 -36.0811 -36.0811 2.1931 2.1931 2.1938 2.1938 4.9174 4.9174 4.9199 4.9199 6.0448 6.0448 6.0530 6.0530 7.8685 7.8685 7.8777 7.8777 8.2616 8.2616 8.2623 8.2623 9.0405 9.0405 9.0453 9.0453 10.4108 10.4108 10.4113 10.4113 10.8948 10.8948 10.8972 10.8972 11.6910 11.6910 11.6978 11.6978 k = 0.4634 0.5000-0.0000 ( 7356 PWs) bands (ev): -67.5443 -67.5443 -67.5443 -67.5443 -37.3453 -37.3453 -37.3453 -37.3453 -36.1941 -36.1941 -36.1939 -36.1939 -36.0810 -36.0810 -36.0808 -36.0808 2.2121 2.2121 2.2126 2.2126 4.9043 4.9043 4.9062 4.9062 6.0377 6.0377 6.0439 6.0439 7.8535 7.8535 7.8603 7.8603 8.2971 8.2971 8.2980 8.2980 9.0125 9.0125 9.0164 9.0164 10.4046 10.4046 10.4049 10.4049 10.8939 10.8939 10.8957 10.8957 11.6915 11.6915 11.6966 11.6966 k = 0.4756 0.5000-0.0000 ( 7356 PWs) bands (ev): -67.5443 -67.5443 -67.5443 -67.5443 -37.3453 -37.3453 -37.3453 -37.3453 -36.1943 -36.1943 -36.1941 -36.1941 -36.0809 -36.0809 -36.0806 -36.0806 2.2260 2.2260 2.2263 2.2263 4.8944 4.8944 4.8956 4.8956 6.0335 6.0335 6.0377 6.0377 7.8429 7.8429 7.8474 7.8474 8.3247 8.3247 8.3256 8.3256 8.9914 8.9914 8.9942 8.9942 10.4004 10.4004 10.4006 10.4006 10.8933 10.8933 10.8945 10.8945 11.6921 11.6921 11.6956 11.6956 k = 0.4878 0.5000-0.0000 ( 7352 PWs) bands (ev): -67.5440 -67.5440 -67.5440 -67.5440 -37.3453 -37.3453 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0808 -36.0808 -36.0805 -36.0805 2.2345 2.2345 2.2347 2.2347 4.8882 4.8882 4.8889 4.8889 6.0325 6.0325 6.0346 6.0346 7.8369 7.8369 7.8391 7.8391 8.3425 8.3425 8.3430 8.3430 8.9780 8.9780 8.9794 8.9794 10.3969 10.3969 10.3970 10.3970 10.8946 10.8946 10.8952 10.8952 11.6925 11.6925 11.6942 11.6942 k = 0.5000 0.5000-0.0000 ( 7340 PWs) bands (ev): -67.5433 -67.5433 -67.5433 -67.5433 -37.3453 -37.3453 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2374 2.2374 2.2374 2.2374 4.8864 4.8864 4.8864 4.8864 6.0326 6.0326 6.0326 6.0326 7.8356 7.8356 7.8356 7.8356 8.3488 8.3488 8.3488 8.3488 8.9774 8.9774 8.9775 8.9775 10.4013 10.4013 10.4013 10.4013 10.8948 10.8948 10.8949 10.8949 11.6944 11.6944 11.6945 11.6945 k = 0.5000 0.5000-0.0000 ( 7340 PWs) bands (ev): -67.5433 -67.5433 -67.5433 -67.5433 -37.3453 -37.3453 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2374 2.2374 2.2374 2.2374 4.8864 4.8864 4.8864 4.8864 6.0326 6.0326 6.0326 6.0326 7.8356 7.8356 7.8356 7.8356 8.3488 8.3488 8.3488 8.3488 8.9774 8.9774 8.9775 8.9775 10.4013 10.4013 10.4013 10.4013 10.8948 10.8948 10.8949 10.8949 11.6944 11.6944 11.6945 11.6945 k = 0.4912 0.4912-0.0000 ( 7356 PWs) bands (ev): -67.5443 -67.5443 -67.5443 -67.5443 -37.3453 -37.3453 -37.3453 -37.3453 -36.1943 -36.1943 -36.1942 -36.1942 -36.0808 -36.0808 -36.0805 -36.0805 2.2314 2.2314 2.2376 2.2376 4.8877 4.8877 4.8894 4.8894 6.0284 6.0284 6.0387 6.0387 7.8355 7.8355 7.8407 7.8407 8.3368 8.3368 8.3484 8.3484 8.9751 8.9751 8.9823 8.9823 10.3939 10.3939 10.3943 10.3943 10.8944 10.8944 10.8954 10.8954 11.6916 11.6916 11.6934 11.6934 k = 0.4825 0.4825-0.0000 ( 7360 PWs) bands (ev): -67.5451 -67.5451 -67.5440 -67.5440 -37.3454 -37.3454 -37.3452 -37.3452 -36.1942 -36.1942 -36.1941 -36.1941 -36.0810 -36.0810 -36.0805 -36.0805 2.2134 2.2134 2.2382 2.2382 4.8923 4.8923 4.8984 4.8984 6.0148 6.0148 6.0565 6.0565 7.8358 7.8358 7.8551 7.8551 8.3027 8.3027 8.3469 8.3469 8.9812 8.9812 9.0045 9.0045 10.3968 10.3968 10.3988 10.3988 10.8905 10.8905 10.8973 10.8973 11.6911 11.6911 11.6948 11.6948 k = 0.4737 0.4737-0.0000 ( 7362 PWs) bands (ev): -67.5452 -67.5452 -67.5442 -67.5442 -37.3455 -37.3455 -37.3451 -37.3451 -36.1941 -36.1941 -36.1939 -36.1939 -36.0814 -36.0814 -36.0805 -36.0805 2.1840 2.1840 2.2392 2.2392 4.8999 4.8999 4.9129 4.9129 5.9954 5.9954 6.0853 6.0853 7.8363 7.8363 7.8784 7.8784 8.2510 8.2510 8.3444 8.3444 8.9881 8.9881 9.0390 9.0390 10.4002 10.4002 10.4059 10.4059 10.8892 10.8892 10.8985 10.8985 11.6904 11.6904 11.6967 11.6967 k = 0.4649 0.4649-0.0000 ( 7362 PWs) bands (ev): -67.5452 -67.5452 -67.5441 -67.5441 -37.3456 -37.3456 -37.3448 -37.3448 -36.1940 -36.1940 -36.1936 -36.1936 -36.0820 -36.0820 -36.0804 -36.0804 2.1440 2.1440 2.2406 2.2406 4.9106 4.9106 4.9324 4.9324 5.9694 5.9694 6.1264 6.1264 7.8370 7.8370 7.9098 7.9098 8.1865 8.1865 8.3410 8.3410 8.9983 8.9983 9.0799 9.0799 10.4051 10.4051 10.4137 10.4137 10.8873 10.8873 10.9030 10.9030 11.6893 11.6893 11.6983 11.6983 k = 0.4561 0.4561-0.0000 ( 7366 PWs) bands (ev): -67.5451 -67.5451 -67.5448 -67.5448 -37.3458 -37.3458 -37.3446 -37.3446 -36.1939 -36.1939 -36.1931 -36.1931 -36.0827 -36.0827 -36.0804 -36.0804 2.0944 2.0944 2.2423 2.2423 4.9242 4.9242 4.9559 4.9559 5.9378 5.9378 6.1777 6.1777 7.8378 7.8378 7.9478 7.9478 8.1138 8.1138 8.3367 8.3367 9.0095 9.0095 9.1263 9.1263 10.4125 10.4125 10.4226 10.4226 10.8850 10.8850 10.9023 10.9023 11.6892 11.6892 11.7001 11.7001 k = 0.4474 0.4474-0.0000 ( 7362 PWs) bands (ev): -67.5449 -67.5449 -67.5444 -67.5444 -37.3461 -37.3461 -37.3442 -37.3442 -36.1938 -36.1938 -36.1925 -36.1925 -36.0835 -36.0835 -36.0803 -36.0803 2.0363 2.0363 2.2443 2.2443 4.9409 4.9409 4.9829 4.9829 5.9014 5.9014 6.2404 6.2404 7.8388 7.8388 7.9851 7.9851 8.0411 8.0411 8.3314 8.3314 9.0290 9.0290 9.1706 9.1706 10.4202 10.4202 10.4301 10.4301 10.8822 10.8822 10.9157 10.9157 11.6878 11.6878 11.7037 11.7037 k = 0.4386 0.4386-0.0000 ( 7365 PWs) bands (ev): -67.5459 -67.5459 -67.5437 -67.5437 -37.3463 -37.3463 -37.3438 -37.3438 -36.1936 -36.1936 -36.1919 -36.1919 -36.0845 -36.0845 -36.0802 -36.0802 1.9708 1.9708 2.2464 2.2464 4.9606 4.9606 5.0127 5.0127 5.8602 5.8602 6.3134 6.3134 7.8400 7.8400 7.9387 7.9387 8.0518 8.0518 8.3254 8.3254 9.0486 9.0486 9.2125 9.2125 10.4275 10.4275 10.4436 10.4436 10.8761 10.8761 10.9272 10.9272 11.6865 11.6865 11.7098 11.7098 k = 0.4298 0.4298-0.0000 ( 7385 PWs) bands (ev): -67.5473 -67.5473 -67.5449 -67.5449 -37.3466 -37.3466 -37.3434 -37.3434 -36.1934 -36.1934 -36.1911 -36.1911 -36.0857 -36.0857 -36.0802 -36.0802 1.8990 1.8990 2.2486 2.2486 4.9831 4.9831 5.0446 5.0446 5.8169 5.8169 6.3950 6.3950 7.8394 7.8394 7.8531 7.8531 8.1037 8.1037 8.3183 8.3183 9.0684 9.0684 9.2515 9.2515 10.4320 10.4320 10.4506 10.4506 10.8718 10.8718 10.9325 10.9325 11.6784 11.6784 11.7103 11.7103 k = 0.4211 0.4211-0.0000 ( 7375 PWs) bands (ev): -67.5461 -67.5461 -67.5448 -67.5448 -37.3470 -37.3470 -37.3428 -37.3428 -36.1932 -36.1932 -36.1902 -36.1902 -36.0870 -36.0870 -36.0800 -36.0800 1.8221 1.8221 2.2511 2.2511 5.0088 5.0088 5.0787 5.0787 5.7730 5.7730 6.4851 6.4851 7.7602 7.7602 7.8429 7.8429 8.1615 8.1615 8.3116 8.3116 9.0927 9.0927 9.2930 9.2930 10.4461 10.4461 10.4692 10.4692 10.8730 10.8730 10.9437 10.9437 11.6797 11.6797 11.7137 11.7137 k = 0.4123 0.4123-0.0000 ( 7379 PWs) bands (ev): -67.5463 -67.5463 -67.5451 -67.5451 -37.3474 -37.3474 -37.3423 -37.3423 -36.1929 -36.1929 -36.1893 -36.1893 -36.0885 -36.0885 -36.0799 -36.0799 1.7409 1.7409 2.2534 2.2534 5.0374 5.0374 5.1144 5.1144 5.7276 5.7276 6.5822 6.5822 7.6672 7.6672 7.8440 7.8440 8.2194 8.2194 8.3062 8.3062 9.1184 9.1184 9.3292 9.3292 10.4590 10.4590 10.4848 10.4848 10.8682 10.8682 10.9566 10.9566 11.6766 11.6766 11.7164 11.7164 k = 0.4035 0.4035-0.0000 ( 7389 PWs) bands (ev): -67.5473 -67.5473 -67.5454 -67.5454 -37.3478 -37.3478 -37.3416 -37.3416 -36.1927 -36.1927 -36.1883 -36.1883 -36.0901 -36.0901 -36.0798 -36.0798 1.6563 1.6563 2.2555 2.2555 5.0690 5.0690 5.1517 5.1517 5.6820 5.6820 6.6848 6.6848 7.5733 7.5733 7.8452 7.8452 8.2636 8.2636 8.3164 8.3164 9.1450 9.1450 9.3606 9.3606 10.4673 10.4673 10.5066 10.5066 10.8606 10.8606 10.9689 10.9689 11.6730 11.6730 11.7202 11.7202 k = 0.3947 0.3947-0.0000 ( 7385 PWs) bands (ev): -67.5475 -67.5475 -67.5447 -67.5447 -37.3482 -37.3482 -37.3410 -37.3410 -36.1924 -36.1924 -36.1871 -36.1871 -36.0917 -36.0917 -36.0796 -36.0796 1.5691 1.5691 2.2575 2.2575 5.1035 5.1035 5.1907 5.1907 5.6371 5.6371 6.7916 6.7916 7.4803 7.4803 7.8466 7.8466 8.2693 8.2693 8.3666 8.3666 9.1773 9.1773 9.3912 9.3912 10.4813 10.4813 10.5322 10.5322 10.8548 10.8548 10.9888 10.9888 11.6700 11.6700 11.7246 11.7246 k = 0.3860 0.3860-0.0000 ( 7389 PWs) bands (ev): -67.5482 -67.5482 -67.5445 -67.5445 -37.3487 -37.3487 -37.3402 -37.3402 -36.1921 -36.1921 -36.1860 -36.1860 -36.0935 -36.0935 -36.0794 -36.0794 1.4798 1.4798 2.2589 2.2589 5.1409 5.1409 5.2307 5.2307 5.5930 5.5930 6.8978 6.8978 7.3909 7.3909 7.8477 7.8477 8.2616 8.2616 8.4297 8.4297 9.2119 9.2119 9.4178 9.4178 10.4981 10.4981 10.5583 10.5583 10.8488 10.8488 11.0070 11.0070 11.6646 11.6646 11.7289 11.7289 k = 0.3772 0.3772-0.0000 ( 7391 PWs) bands (ev): -67.5482 -67.5482 -67.5447 -67.5447 -37.3492 -37.3492 -37.3395 -37.3395 -36.1917 -36.1917 -36.1847 -36.1847 -36.0955 -36.0955 -36.0792 -36.0792 1.3892 1.3892 2.2600 2.2600 5.1815 5.1815 5.2724 5.2724 5.5512 5.5512 6.9949 6.9949 7.3144 7.3144 7.8481 7.8481 8.2517 8.2517 8.4976 8.4976 9.2462 9.2462 9.4413 9.4413 10.5149 10.5149 10.5883 10.5883 10.8467 10.8467 11.0184 11.0184 11.6606 11.6606 11.7347 11.7347 k = 0.3684 0.3684-0.0000 ( 7387 PWs) bands (ev): -67.5479 -67.5479 -67.5445 -67.5445 -37.3498 -37.3498 -37.3387 -37.3387 -36.1914 -36.1914 -36.1834 -36.1834 -36.0975 -36.0975 -36.0789 -36.0789 1.2978 1.2978 2.2604 2.2604 5.2246 5.2246 5.3156 5.3156 5.5113 5.5113 7.0474 7.0474 7.2852 7.2852 7.8492 7.8492 8.2399 8.2399 8.5655 8.5655 9.2833 9.2833 9.4640 9.4640 10.5343 10.5343 10.6156 10.6156 10.8450 10.8450 11.0449 11.0449 11.6604 11.6604 11.7400 11.7400 k = 0.3596 0.3596-0.0000 ( 7403 PWs) bands (ev): -67.5503 -67.5503 -67.5442 -67.5442 -37.3504 -37.3504 -37.3378 -37.3378 -36.1910 -36.1910 -36.1821 -36.1821 -36.0996 -36.0996 -36.0786 -36.0786 1.2058 1.2058 2.2599 2.2599 5.2705 5.2705 5.3599 5.3599 5.4734 5.4734 7.0129 7.0129 7.3429 7.3429 7.8498 7.8498 8.2277 8.2277 8.6302 8.6302 9.3248 9.3248 9.4829 9.4829 10.5481 10.5481 10.6458 10.6458 10.8348 10.8348 11.0689 11.0689 11.6524 11.6524 11.7449 11.7449 k = 0.3509 0.3509-0.0000 ( 7407 PWs) bands (ev): -67.5512 -67.5512 -67.5439 -67.5439 -37.3510 -37.3510 -37.3370 -37.3370 -36.1906 -36.1906 -36.1807 -36.1807 -36.1018 -36.1018 -36.0783 -36.0783 1.1138 1.1138 2.2586 2.2586 5.3187 5.3187 5.4062 5.4062 5.4396 5.4396 6.9359 6.9359 7.4454 7.4454 7.8503 7.8503 8.2149 8.2149 8.6978 8.6978 9.3687 9.3687 9.4975 9.4975 10.5672 10.5672 10.6759 10.6759 10.8269 10.8269 11.0965 11.0965 11.6529 11.6529 11.7495 11.7495 k = 0.3421 0.3421-0.0000 ( 7415 PWs) bands (ev): -67.5525 -67.5525 -67.5436 -67.5436 -37.3516 -37.3516 -37.3361 -37.3361 -36.1902 -36.1902 -36.1793 -36.1793 -36.1041 -36.1041 -36.0780 -36.0780 1.0221 1.0221 2.2564 2.2564 5.3673 5.3673 5.4114 5.4114 5.4535 5.4535 6.8475 6.8475 7.5587 7.5587 7.8505 7.8505 8.2019 8.2019 8.7649 8.7649 9.4175 9.4175 9.5125 9.5125 10.5875 10.5875 10.7083 10.7083 10.8094 10.8094 11.1252 11.1252 11.6538 11.6538 11.7547 11.7547 k = 0.3333 0.3333-0.0000 ( 7419 PWs) bands (ev): -67.5539 -67.5539 -67.5427 -67.5427 -37.3523 -37.3523 -37.3352 -37.3352 -36.1898 -36.1898 -36.1778 -36.1778 -36.1065 -36.1065 -36.0776 -36.0776 0.9310 0.9310 2.2530 2.2530 5.3759 5.3759 5.4298 5.4298 5.5033 5.5033 6.7555 6.7555 7.6747 7.6747 7.8509 7.8509 8.1897 8.1897 8.8308 8.8308 9.4649 9.4649 9.5256 9.5256 10.6052 10.6052 10.7441 10.7441 10.8006 10.8006 11.1570 11.1570 11.6549 11.6549 11.7612 11.7612 k = 0.3246 0.3246-0.0000 ( 7411 PWs) bands (ev): -67.5532 -67.5532 -67.5424 -67.5424 -37.3530 -37.3530 -37.3342 -37.3342 -36.1894 -36.1894 -36.1763 -36.1763 -36.1090 -36.1090 -36.0771 -36.0771 0.8407 0.8407 2.2486 2.2486 5.3545 5.3545 5.4849 5.4849 5.5547 5.5547 6.6633 6.6633 7.7881 7.7881 7.8538 7.8538 8.1765 8.1765 8.8985 8.8985 9.5140 9.5140 9.5408 9.5408 10.6354 10.6354 10.7777 10.7777 10.7951 10.7951 11.1905 11.1905 11.6644 11.6644 11.7670 11.7670 k = 0.3158 0.3158-0.0000 ( 7417 PWs) bands (ev): -67.5544 -67.5544 -67.5420 -67.5420 -37.3537 -37.3537 -37.3332 -37.3332 -36.1889 -36.1889 -36.1748 -36.1748 -36.1115 -36.1115 -36.0766 -36.0766 0.7514 0.7514 2.2428 2.2428 5.3352 5.3352 5.5441 5.5441 5.6075 5.6075 6.5710 6.5710 7.8425 7.8425 7.9104 7.9104 8.1624 8.1624 8.9626 8.9626 9.5540 9.5540 9.5647 9.5647 10.6601 10.6601 10.7868 10.7868 10.8087 10.8087 11.2309 11.2309 11.6697 11.6697 11.7724 11.7724 k = 0.3070 0.3070-0.0000 ( 7417 PWs) bands (ev): -67.5553 -67.5553 -67.5411 -67.5411 -37.3545 -37.3545 -37.3322 -37.3322 -36.1885 -36.1885 -36.1733 -36.1733 -36.1140 -36.1140 -36.0761 -36.0761 0.6634 0.6634 2.2357 2.2357 5.3201 5.3201 5.6062 5.6062 5.6622 5.6622 6.4799 6.4799 7.8447 7.8447 8.0148 8.0148 8.1498 8.1498 9.0278 9.0278 9.5670 9.5670 9.6207 9.6207 10.6804 10.6804 10.7786 10.7786 10.8423 10.8423 11.2713 11.2713 11.6811 11.6811 11.7779 11.7779 k = 0.2982 0.2982-0.0000 ( 7417 PWs) bands (ev): -67.5557 -67.5557 -67.5408 -67.5408 -37.3552 -37.3552 -37.3312 -37.3312 -36.1880 -36.1880 -36.1718 -36.1718 -36.1166 -36.1166 -36.0755 -36.0755 0.5767 0.5767 2.2273 2.2273 5.3090 5.3090 5.6711 5.6711 5.7185 5.7185 6.3898 6.3898 7.8435 7.8435 8.1100 8.1100 8.1440 8.1440 9.0904 9.0904 9.5808 9.5808 9.6737 9.6737 10.7076 10.7076 10.7729 10.7729 10.8761 10.8761 11.3124 11.3124 11.6973 11.6973 11.7845 11.7845 k = 0.2895 0.2895-0.0000 ( 7413 PWs) bands (ev): -67.5560 -67.5560 -67.5398 -67.5398 -37.3560 -37.3560 -37.3301 -37.3301 -36.1876 -36.1876 -36.1703 -36.1703 -36.1193 -36.1193 -36.0748 -36.0748 0.4917 0.4917 2.2175 2.2175 5.3024 5.3024 5.7385 5.7385 5.7766 5.7766 6.3015 6.3015 7.8420 7.8420 8.1202 8.1202 8.2177 8.2177 9.1529 9.1529 9.5959 9.5959 9.7289 9.7289 10.7289 10.7289 10.7708 10.7708 10.9102 10.9102 11.3587 11.3587 11.7164 11.7164 11.7917 11.7917 k = 0.2807 0.2807-0.0000 ( 7413 PWs) bands (ev): -67.5554 -67.5554 -67.5405 -67.5405 -37.3568 -37.3568 -37.3291 -37.3291 -36.1871 -36.1871 -36.1687 -36.1687 -36.1220 -36.1220 -36.0741 -36.0741 0.4083 0.4083 2.2064 2.2064 5.3002 5.3002 5.8080 5.8080 5.8358 5.8358 6.2152 6.2152 7.8382 7.8382 8.1082 8.1082 8.3065 8.3065 9.2176 9.2176 9.6157 9.6157 9.7827 9.7827 10.7381 10.7381 10.7844 10.7844 10.9411 10.9411 11.4003 11.4003 11.7371 11.7371 11.7964 11.7964 k = 0.2719 0.2719-0.0000 ( 7415 PWs) bands (ev): -67.5560 -67.5560 -67.5401 -67.5401 -37.3577 -37.3577 -37.3280 -37.3280 -36.1866 -36.1866 -36.1673 -36.1673 -36.1247 -36.1247 -36.0733 -36.0733 0.3267 0.3267 2.1939 2.1939 5.3023 5.3023 5.8799 5.8799 5.8965 5.8965 6.1314 6.1314 7.8349 7.8349 8.0965 8.0965 8.3862 8.3862 9.2781 9.2781 9.6317 9.6317 9.8375 9.8375 10.7338 10.7338 10.8066 10.8066 10.9717 10.9717 11.4493 11.4493 11.7588 11.7588 11.8074 11.8074 k = 0.2632 0.2632-0.0000 ( 7407 PWs) bands (ev): -67.5564 -67.5564 -67.5387 -67.5387 -37.3585 -37.3585 -37.3270 -37.3270 -36.1861 -36.1861 -36.1658 -36.1658 -36.1274 -36.1274 -36.0724 -36.0724 0.2470 0.2470 2.1802 2.1802 5.3087 5.3087 5.9508 5.9508 5.9579 5.9579 6.0542 6.0542 7.8327 7.8327 8.0857 8.0857 8.4579 8.4579 9.3375 9.3375 9.6483 9.6483 9.8960 9.8960 10.7264 10.7264 10.8353 10.8353 11.0008 11.0008 11.5062 11.5062 11.7792 11.7792 11.8241 11.8241 k = 0.2544 0.2544-0.0000 ( 7407 PWs) bands (ev): -67.5568 -67.5568 -67.5383 -67.5383 -37.3593 -37.3593 -37.3259 -37.3259 -36.1856 -36.1856 -36.1645 -36.1645 -36.1301 -36.1301 -36.0715 -36.0715 0.1693 0.1693 2.1652 2.1652 5.3194 5.3194 5.9512 5.9512 6.0265 6.0265 6.0458 6.0458 7.8291 7.8291 8.0744 8.0744 8.5200 8.5200 9.3961 9.3961 9.6661 9.6661 9.9480 9.9480 10.7193 10.7193 10.8645 10.8645 11.0262 11.0262 11.5629 11.5629 11.7955 11.7955 11.8477 11.8477 k = 0.2456 0.2456-0.0000 ( 7403 PWs) bands (ev): -67.5561 -67.5561 -67.5385 -67.5385 -37.3602 -37.3602 -37.3249 -37.3249 -36.1852 -36.1852 -36.1631 -36.1631 -36.1328 -36.1328 -36.0705 -36.0705 0.0937 0.0937 2.1492 2.1492 5.3341 5.3341 5.8791 5.8791 6.0923 6.0923 6.1176 6.1176 7.8244 7.8244 8.0639 8.0639 8.5756 8.5756 9.4540 9.4540 9.6836 9.6836 10.0007 10.0007 10.7121 10.7121 10.9035 10.9035 11.0488 11.0488 11.6203 11.6203 11.8062 11.8062 11.8759 11.8759 k = 0.2368 0.2368-0.0000 ( 7407 PWs) bands (ev): -67.5570 -67.5570 -67.5381 -67.5381 -37.3610 -37.3610 -37.3239 -37.3239 -36.1847 -36.1847 -36.1618 -36.1618 -36.1355 -36.1355 -36.0695 -36.0695 0.0202 0.0202 2.1321 2.1321 5.3528 5.3528 5.8035 5.8035 6.1594 6.1594 6.1982 6.1982 7.8195 7.8195 8.0550 8.0550 8.6177 8.6177 9.5091 9.5091 9.7001 9.7001 10.0524 10.0524 10.7028 10.7028 10.9347 10.9347 11.0683 11.0683 11.6814 11.6814 11.8155 11.8155 11.9052 11.9052 k = 0.2281 0.2281-0.0000 ( 7407 PWs) bands (ev): -67.5574 -67.5574 -67.5377 -67.5377 -37.3619 -37.3619 -37.3228 -37.3228 -36.1842 -36.1842 -36.1605 -36.1605 -36.1382 -36.1382 -36.0685 -36.0685 -0.0510 -0.0510 2.1142 2.1142 5.3753 5.3753 5.7294 5.7294 6.2278 6.2278 6.2818 6.2818 7.8148 7.8148 8.0470 8.0470 8.6551 8.6551 9.5629 9.5629 9.7162 9.7162 10.1008 10.1008 10.6935 10.6935 10.9667 10.9667 11.0833 11.0833 11.7464 11.7464 11.8249 11.8249 11.9362 11.9362 k = 0.2193 0.2193-0.0000 ( 7407 PWs) bands (ev): -67.5578 -67.5578 -67.5373 -67.5373 -37.3627 -37.3627 -37.3218 -37.3218 -36.1838 -36.1838 -36.1593 -36.1593 -36.1408 -36.1408 -36.0674 -36.0674 -0.1199 -0.1199 2.0955 2.0955 5.4012 5.4012 5.6573 5.6573 6.2966 6.2966 6.3678 6.3678 7.8092 7.8092 8.0406 8.0406 8.6852 8.6852 9.6147 9.6147 9.7316 9.7316 10.1503 10.1503 10.6842 10.6842 10.9990 10.9990 11.0934 11.0934 11.8129 11.8129 11.8348 11.8348 11.9636 11.9636 k = 0.2105 0.2105-0.0000 ( 7407 PWs) bands (ev): -67.5581 -67.5581 -67.5369 -67.5369 -37.3636 -37.3636 -37.3209 -37.3209 -36.1833 -36.1833 -36.1582 -36.1582 -36.1435 -36.1435 -36.0662 -36.0662 -0.1865 -0.1865 2.0762 2.0762 5.4302 5.4302 5.5877 5.5877 6.3673 6.3673 6.4559 6.4559 7.8034 7.8034 8.0353 8.0353 8.7104 8.7104 9.6631 9.6631 9.7473 9.7473 10.1945 10.1945 10.6745 10.6745 11.0300 11.0300 11.0975 11.0975 11.8434 11.8434 11.8849 11.8849 11.9905 11.9905 k = 0.2018 0.2018-0.0000 ( 7407 PWs) bands (ev): -67.5592 -67.5592 -67.5358 -67.5358 -37.3644 -37.3644 -37.3199 -37.3199 -36.1828 -36.1828 -36.1572 -36.1572 -36.1460 -36.1460 -36.0650 -36.0650 -0.2507 -0.2507 2.0564 2.0564 5.4608 5.4608 5.5216 5.5216 6.4387 6.4387 6.5460 6.5460 7.7985 7.7985 8.0307 8.0307 8.7281 8.7281 9.7035 9.7035 9.7647 9.7647 10.2416 10.2416 10.6626 10.6626 11.0580 11.0580 11.0944 11.0944 11.8580 11.8580 11.9602 11.9602 12.0132 12.0132 k = 0.1930 0.1930-0.0000 ( 7401 PWs) bands (ev): -67.5593 -67.5593 -67.5349 -67.5349 -37.3653 -37.3653 -37.3190 -37.3190 -36.1824 -36.1824 -36.1562 -36.1562 -36.1485 -36.1485 -36.0638 -36.0638 -0.3124 -0.3124 2.0364 2.0364 5.4508 5.4508 5.5018 5.5018 6.5112 6.5112 6.6379 6.6379 7.7927 7.7927 8.0298 8.0298 8.7427 8.7427 9.7345 9.7345 9.7929 9.7929 10.2797 10.2797 10.6538 10.6538 11.0855 11.0855 11.0904 11.0904 11.8705 11.8705 12.0315 12.0315 12.0384 12.0384 k = 0.1842 0.1842-0.0000 ( 7395 PWs) bands (ev): -67.5595 -67.5595 -67.5340 -67.5340 -37.3661 -37.3661 -37.3180 -37.3180 -36.1819 -36.1819 -36.1552 -36.1552 -36.1509 -36.1509 -36.0625 -36.0625 -0.3716 -0.3716 2.0161 2.0161 5.3903 5.3903 5.5373 5.5373 6.5849 6.5849 6.7318 6.7318 7.7865 7.7865 8.0301 8.0301 8.7546 8.7546 9.7501 9.7501 9.8330 9.8330 10.3105 10.3105 10.6452 10.6452 11.0692 11.0692 11.1189 11.1189 11.8878 11.8878 12.0487 12.0487 12.1175 12.1175 k = 0.1754 0.1754-0.0000 ( 7399 PWs) bands (ev): -67.5603 -67.5603 -67.5337 -67.5337 -37.3669 -37.3669 -37.3171 -37.3171 -36.1815 -36.1815 -36.1544 -36.1544 -36.1533 -36.1533 -36.0613 -36.0613 -0.4283 -0.4283 1.9959 1.9959 5.3307 5.3307 5.5764 5.5764 6.6583 6.6583 6.8270 6.8270 7.7801 7.7801 8.0317 8.0317 8.7604 8.7604 9.7569 9.7569 9.8738 9.8738 10.3355 10.3355 10.6366 10.6366 11.0444 11.0444 11.1445 11.1445 11.9034 11.9034 12.0588 12.0588 12.2004 12.2004 k = 0.1667 0.1667-0.0000 ( 7397 PWs) bands (ev): -67.5594 -67.5594 -67.5344 -67.5344 -37.3677 -37.3677 -37.3163 -37.3163 -36.1811 -36.1811 -36.1557 -36.1557 -36.1535 -36.1535 -36.0599 -36.0599 -0.4824 -0.4824 1.9757 1.9757 5.2738 5.2738 5.6174 5.6174 6.7318 6.7318 6.9236 6.9236 7.7704 7.7704 8.0355 8.0355 8.7658 8.7658 9.7638 9.7638 9.9203 9.9203 10.3521 10.3521 10.6312 10.6312 11.0129 11.0129 11.1800 11.1800 11.9172 11.9172 12.0639 12.0639 12.2810 12.2810 k = 0.1579 0.1579-0.0000 ( 7405 PWs) bands (ev): -67.5598 -67.5598 -67.5351 -67.5351 -37.3685 -37.3685 -37.3154 -37.3154 -36.1808 -36.1808 -36.1579 -36.1579 -36.1528 -36.1528 -36.0586 -36.0586 -0.5339 -0.5339 1.9558 1.9558 5.2192 5.2192 5.6591 5.6591 6.8041 6.8041 7.0214 7.0214 7.7629 7.7629 8.0395 8.0395 8.7668 8.7668 9.7663 9.7663 9.9586 9.9586 10.3629 10.3629 10.6245 10.6245 10.9730 10.9730 11.2100 11.2100 11.9353 11.9353 12.0625 12.0625 12.3685 12.3685 k = 0.1491 0.1491-0.0000 ( 7401 PWs) bands (ev): -67.5601 -67.5601 -67.5342 -67.5342 -37.3692 -37.3692 -37.3146 -37.3146 -36.1804 -36.1804 -36.1600 -36.1600 -36.1521 -36.1521 -36.0574 -36.0574 -0.5828 -0.5828 1.9362 1.9362 5.1675 5.1675 5.7027 5.7027 6.8775 6.8775 7.1208 7.1208 7.7564 7.7564 8.0495 8.0495 8.7627 8.7627 9.7665 9.7665 9.9952 9.9952 10.3674 10.3674 10.6226 10.6226 10.9275 10.9275 11.2386 11.2386 11.9590 11.9590 12.0594 12.0594 12.4609 12.4609 k = 0.1404 0.1404-0.0000 ( 7399 PWs) bands (ev): -67.5607 -67.5607 -67.5334 -67.5334 -37.3700 -37.3700 -37.3139 -37.3139 -36.1800 -36.1800 -36.1621 -36.1621 -36.1514 -36.1514 -36.0561 -36.0561 -0.6291 -0.6291 1.9172 1.9172 5.1184 5.1184 5.7468 5.7468 6.9512 6.9512 7.2208 7.2208 7.7505 7.7505 8.0618 8.0618 8.7593 8.7593 9.7659 9.7659 10.0248 10.0248 10.3640 10.3640 10.6174 10.6174 10.8758 10.8758 11.2670 11.2670 11.9815 11.9815 12.0537 12.0537 12.5569 12.5569 k = 0.1316 0.1316-0.0000 ( 7403 PWs) bands (ev): -67.5615 -67.5615 -67.5331 -67.5331 -37.3706 -37.3706 -37.3132 -37.3132 -36.1797 -36.1797 -36.1640 -36.1640 -36.1509 -36.1509 -36.0549 -36.0549 -0.6726 -0.6726 1.8987 1.8987 5.0722 5.0722 5.7906 5.7906 7.0229 7.0229 7.3214 7.3214 7.7442 7.7442 8.0763 8.0763 8.7521 8.7521 9.7633 9.7633 10.0501 10.0501 10.3531 10.3531 10.6127 10.6127 10.8205 10.8205 11.2940 11.2940 12.0022 12.0022 12.0447 12.0447 12.6552 12.6552 k = 0.1228 0.1228-0.0000 ( 7409 PWs) bands (ev): -67.5623 -67.5623 -67.5330 -67.5330 -37.3713 -37.3713 -37.3125 -37.3125 -36.1795 -36.1795 -36.1658 -36.1658 -36.1504 -36.1504 -36.0537 -36.0537 -0.7135 -0.7135 1.8809 1.8809 5.0287 5.0287 5.8327 5.8327 7.0925 7.0925 7.4222 7.4222 7.7389 7.7389 8.0913 8.0913 8.7462 8.7462 9.7606 9.7606 10.0673 10.0673 10.3362 10.3362 10.6080 10.6080 10.7630 10.7630 11.3191 11.3191 12.0103 12.0103 12.0489 12.0489 12.7571 12.7571 k = 0.1140 0.1140-0.0000 ( 7417 PWs) bands (ev): -67.5631 -67.5631 -67.5333 -67.5333 -37.3720 -37.3720 -37.3119 -37.3119 -36.1792 -36.1792 -36.1675 -36.1675 -36.1499 -36.1499 -36.0525 -36.0525 -0.7516 -0.7516 1.8640 1.8640 4.9883 4.9883 5.8749 5.8749 7.1610 7.1610 7.5232 7.5232 7.7313 7.7313 8.1117 8.1117 8.7377 8.7377 9.7554 9.7554 10.0805 10.0805 10.3108 10.3108 10.6048 10.6048 10.7094 10.7094 11.3377 11.3377 11.9952 11.9952 12.0693 12.0693 12.8585 12.8585 k = 0.1053 0.1053-0.0000 ( 7437 PWs) bands (ev): -67.5644 -67.5644 -67.5346 -67.5346 -37.3726 -37.3726 -37.3113 -37.3113 -36.1791 -36.1791 -36.1691 -36.1691 -36.1495 -36.1495 -36.0514 -36.0514 -0.7870 -0.7870 1.8479 1.8479 4.9504 4.9504 5.9151 5.9151 7.2267 7.2267 7.6237 7.6237 7.7219 7.7219 8.1343 8.1343 8.7290 8.7290 9.7489 9.7489 10.0792 10.0792 10.2774 10.2774 10.5972 10.5972 10.6591 10.6591 11.3588 11.3588 11.9728 11.9728 12.0907 12.0907 12.9598 12.9598 k = 0.0965 0.0965-0.0000 ( 7439 PWs) bands (ev): -67.5644 -67.5644 -67.5349 -67.5349 -37.3732 -37.3732 -37.3107 -37.3107 -36.1790 -36.1790 -36.1704 -36.1704 -36.1491 -36.1491 -36.0503 -36.0503 -0.8196 -0.8196 1.8329 1.8329 4.9156 4.9156 5.9537 5.9537 7.2909 7.2909 7.7130 7.7130 7.7269 7.7269 8.1606 8.1606 8.7254 8.7254 9.7451 9.7451 10.0670 10.0670 10.2390 10.2390 10.5896 10.5896 10.6218 10.6218 11.3811 11.3811 11.9482 11.9482 12.1145 12.1145 13.0687 13.0687 k = 0.0877 0.0877-0.0000 ( 7433 PWs) bands (ev): -67.5643 -67.5643 -67.5342 -67.5342 -37.3737 -37.3737 -37.3102 -37.3102 -36.1789 -36.1789 -36.1716 -36.1716 -36.1488 -36.1488 -36.0493 -36.0493 -0.8494 -0.8494 1.8189 1.8189 4.8839 4.8839 5.9915 5.9915 7.3525 7.3525 7.7121 7.7121 7.8227 7.8227 8.1917 8.1917 8.7204 8.7204 9.7414 9.7414 10.0403 10.0403 10.1967 10.1967 10.5753 10.5753 10.6036 10.6036 11.4019 11.4019 11.9219 11.9219 12.1414 12.1414 13.1813 13.1813 k = 0.0789 0.0789-0.0000 ( 7429 PWs) bands (ev): -67.5645 -67.5645 -67.5335 -67.5335 -37.3741 -37.3741 -37.3097 -37.3097 -36.1790 -36.1790 -36.1726 -36.1726 -36.1485 -36.1485 -36.0484 -36.0484 -0.8764 -0.8764 1.8061 1.8061 4.8551 4.8551 6.0271 6.0271 7.4088 7.4088 7.7079 7.7079 7.9191 7.9191 8.2255 8.2255 8.7151 8.7151 9.7372 9.7372 9.9986 9.9986 10.1533 10.1533 10.5598 10.5598 10.5966 10.5966 11.4211 11.4211 11.8934 11.8934 12.1704 12.1704 13.2945 13.2945 k = 0.0702 0.0702-0.0000 ( 7423 PWs) bands (ev): -67.5644 -67.5644 -67.5328 -67.5328 -37.3746 -37.3746 -37.3093 -37.3093 -36.1791 -36.1791 -36.1734 -36.1734 -36.1482 -36.1482 -36.0475 -36.0475 -0.9006 -0.9006 1.7945 1.7945 4.8292 4.8292 6.0587 6.0587 7.4623 7.4623 7.7057 7.7057 8.0127 8.0127 8.2610 8.2610 8.7112 8.7112 9.7339 9.7339 9.9459 9.9459 10.1032 10.1032 10.5506 10.5506 10.5931 10.5931 11.4405 11.4405 11.8654 11.8654 12.2010 12.2010 13.4111 13.4111 k = 0.0614 0.0614-0.0000 ( 7427 PWs) bands (ev): -67.5656 -67.5656 -67.5321 -67.5321 -37.3749 -37.3749 -37.3090 -37.3090 -36.1794 -36.1794 -36.1739 -36.1739 -36.1481 -36.1481 -36.0468 -36.0468 -0.9220 -0.9220 1.7841 1.7841 4.8064 4.8064 6.0881 6.0881 7.5114 7.5114 7.7031 7.7031 8.1021 8.1021 8.2991 8.2991 8.7044 8.7044 9.7298 9.7298 9.8859 9.8859 10.0513 10.0513 10.5415 10.5415 10.5873 10.5873 11.4519 11.4519 11.8380 11.8380 12.2265 12.2265 13.5275 13.5275 k = 0.0526 0.0526-0.0000 ( 7419 PWs) bands (ev): -67.5647 -67.5647 -67.5320 -67.5320 -37.3753 -37.3753 -37.3086 -37.3086 -36.1797 -36.1797 -36.1743 -36.1743 -36.1478 -36.1478 -36.0461 -36.0461 -0.9405 -0.9405 1.7750 1.7750 4.7869 4.7869 6.1140 6.1140 7.5559 7.5559 7.7007 7.7007 8.1858 8.1858 8.3384 8.3384 8.7007 8.7007 9.7287 9.7287 9.8244 9.8244 9.9960 9.9960 10.5449 10.5449 10.5923 10.5923 11.4681 11.4681 11.8122 11.8122 12.2454 12.2454 13.6431 13.6431 k = 0.0439 0.0439-0.0000 ( 7419 PWs) bands (ev): -67.5653 -67.5653 -67.5314 -67.5314 -37.3755 -37.3755 -37.3083 -37.3083 -36.1800 -36.1800 -36.1746 -36.1746 -36.1477 -36.1477 -36.0455 -36.0455 -0.9562 -0.9562 1.7673 1.7673 4.7701 4.7701 6.1372 6.1372 7.5941 7.5941 7.6988 7.6988 8.2618 8.2618 8.3783 8.3783 8.6969 8.6969 9.7243 9.7243 9.7648 9.7648 9.9451 9.9451 10.5444 10.5444 10.5896 10.5896 11.4761 11.4761 11.7885 11.7885 12.2635 12.2635 13.7568 13.7568 k = 0.0351 0.0351-0.0000 ( 7415 PWs) bands (ev): -67.5643 -67.5643 -67.5318 -67.5318 -37.3758 -37.3758 -37.3081 -37.3081 -36.1804 -36.1804 -36.1748 -36.1748 -36.1475 -36.1475 -36.0450 -36.0450 -0.9691 -0.9691 1.7609 1.7609 4.7566 4.7566 6.1554 6.1554 7.6253 7.6253 7.6954 7.6954 8.3273 8.3273 8.4173 8.4173 8.6950 8.6950 9.7028 9.7028 9.7302 9.7302 9.8953 9.8953 10.5507 10.5507 10.5938 10.5938 11.4893 11.4893 11.7678 11.7678 12.2782 12.2782 13.8631 13.8631 k = 0.0263 0.0263-0.0000 ( 7415 PWs) bands (ev): -67.5644 -67.5644 -67.5317 -67.5317 -37.3760 -37.3760 -37.3079 -37.3079 -36.1807 -36.1807 -36.1748 -36.1748 -36.1474 -36.1474 -36.0447 -36.0447 -0.9791 -0.9791 1.7558 1.7558 4.7460 4.7460 6.1696 6.1696 7.6487 7.6487 7.6944 7.6944 8.3796 8.3796 8.4541 8.4541 8.6897 8.6897 9.6563 9.6563 9.7247 9.7247 9.8555 9.8555 10.5558 10.5558 10.5965 10.5965 11.4972 11.4972 11.7509 11.7509 12.2903 12.2903 13.9607 13.9607 k = 0.0175 0.0175-0.0000 ( 7423 PWs) bands (ev): -67.5644 -67.5644 -67.5327 -67.5327 -37.3761 -37.3761 -37.3078 -37.3078 -36.1810 -36.1810 -36.1749 -36.1749 -36.1474 -36.1474 -36.0444 -36.0444 -0.9862 -0.9862 1.7522 1.7522 4.7382 4.7382 6.1795 6.1795 7.6629 7.6629 7.6932 7.6932 8.4168 8.4168 8.4857 8.4857 8.6884 8.6884 9.6188 9.6188 9.7229 9.7229 9.8213 9.8213 10.5564 10.5564 10.5960 10.5960 11.5049 11.5049 11.7384 11.7384 12.2948 12.2948 14.0357 14.0357 k = 0.0088 0.0088-0.0000 ( 7427 PWs) bands (ev): -67.5649 -67.5649 -67.5327 -67.5327 -37.3762 -37.3762 -37.3077 -37.3077 -36.1811 -36.1811 -36.1750 -36.1750 -36.1473 -36.1473 -36.0442 -36.0442 -0.9905 -0.9905 1.7501 1.7501 4.7335 4.7335 6.1857 6.1857 7.6700 7.6700 7.6965 7.6965 8.4388 8.4388 8.5074 8.5074 8.6867 8.6867 9.5950 9.5950 9.7217 9.7217 9.8003 9.8003 10.5541 10.5541 10.5939 10.5939 11.5074 11.5074 11.7307 11.7307 12.3001 12.3001 14.0804 14.0804 k = 0.0000 0.0000 0.0000 ( 7411 PWs) bands (ev): -67.5623 -67.5623 -67.5332 -67.5332 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1749 -36.1749 -36.1473 -36.1473 -36.0441 -36.0441 -0.9919 -0.9919 1.7493 1.7493 4.7320 4.7320 6.1854 6.1854 7.6722 7.6722 7.6985 7.6985 8.4462 8.4462 8.5151 8.5151 8.6950 8.6950 9.5858 9.5858 9.7261 9.7261 9.7931 9.7931 10.5591 10.5591 10.5989 10.5989 11.5267 11.5267 11.7283 11.7283 12.2974 12.2974 14.0923 14.0923 k = 0.0000 0.0000 0.0000 ( 7411 PWs) bands (ev): -67.5623 -67.5623 -67.5332 -67.5332 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1749 -36.1749 -36.1473 -36.1473 -36.0441 -36.0441 -0.9919 -0.9919 1.7493 1.7493 4.7320 4.7320 6.1854 6.1854 7.6722 7.6722 7.6985 7.6985 8.4462 8.4462 8.5151 8.5151 8.6950 8.6950 9.5858 9.5858 9.7261 9.7261 9.7931 9.7931 10.5591 10.5591 10.5989 10.5989 11.5267 11.5267 11.7283 11.7283 12.2974 12.2974 14.0923 14.0923 k = 0.0000 0.0000 0.0122 ( 7431 PWs) bands (ev): -67.5639 -67.5639 -67.5343 -67.5343 -37.3763 -37.3763 -37.3077 -37.3077 -36.1812 -36.1812 -36.1750 -36.1750 -36.1473 -36.1473 -36.0441 -36.0441 -0.9905 -0.9905 1.7439 1.7439 4.7379 4.7379 6.1870 6.1870 7.6686 7.6686 7.6950 7.6950 8.4501 8.4501 8.5189 8.5189 8.6877 8.6877 9.5791 9.5791 9.7235 9.7235 9.7874 9.7874 10.5559 10.5559 10.5956 10.5956 11.5198 11.5198 11.7364 11.7364 12.2972 12.2972 14.0747 14.0747 k = 0.0000 0.0000 0.0244 ( 7431 PWs) bands (ev): -67.5649 -67.5649 -67.5332 -67.5332 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1750 -36.1750 -36.1473 -36.1473 -36.0442 -36.0442 -0.9865 -0.9865 1.7279 1.7279 4.7551 4.7551 6.1921 6.1921 7.6634 7.6634 7.6905 7.6905 8.4617 8.4617 8.5300 8.5300 8.6877 8.6877 9.5599 9.5599 9.7163 9.7163 9.7913 9.7913 10.5560 10.5560 10.5957 10.5957 11.5097 11.5097 11.7606 11.7606 12.2974 12.2974 14.0324 14.0324 k = 0.0000 0.0000 0.0367 ( 7420 PWs) bands (ev): -67.5651 -67.5651 -67.5317 -67.5317 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1749 -36.1749 -36.1473 -36.1473 -36.0442 -36.0442 -0.9796 -0.9796 1.7017 1.7017 4.7836 4.7836 6.2001 6.2001 7.6541 7.6541 7.6821 7.6821 8.4806 8.4806 8.5481 8.5481 8.6877 8.6877 9.5295 9.5295 9.7128 9.7128 9.8001 9.8001 10.5558 10.5558 10.5955 10.5955 11.5096 11.5096 11.8000 11.8000 12.2982 12.2982 13.9670 13.9670 k = 0.0000 0.0000 0.0489 ( 7412 PWs) bands (ev): -67.5651 -67.5651 -67.5307 -67.5307 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1749 -36.1749 -36.1473 -36.1473 -36.0442 -36.0442 -0.9700 -0.9700 1.6661 1.6661 4.8225 4.8225 6.2136 6.2136 7.6385 7.6385 7.6675 7.6675 8.5059 8.5059 8.5725 8.5725 8.6877 8.6877 9.4907 9.4907 9.7091 9.7091 9.8073 9.8073 10.5555 10.5555 10.5953 10.5953 11.5095 11.5095 11.8535 11.8535 12.3029 12.3029 13.8814 13.8814 k = 0.0000 0.0000 0.0611 ( 7424 PWs) bands (ev): -67.5672 -67.5672 -67.5302 -67.5302 -37.3762 -37.3762 -37.3077 -37.3077 -36.1811 -36.1811 -36.1749 -36.1749 -36.1474 -36.1474 -36.0442 -36.0442 -0.9577 -0.9577 1.6217 1.6217 4.8704 4.8704 6.2281 6.2281 7.6201 7.6201 7.6502 7.6502 8.5369 8.5369 8.6024 8.6024 8.6847 8.6847 9.4437 9.4437 9.7024 9.7024 9.8129 9.8129 10.5457 10.5457 10.5855 10.5855 11.4987 11.4987 11.9194 11.9194 12.3112 12.3112 13.7850 13.7850 k = 0.0000 0.0000 0.0733 ( 7424 PWs) bands (ev): -67.5672 -67.5672 -67.5302 -67.5302 -37.3762 -37.3762 -37.3077 -37.3077 -36.1811 -36.1811 -36.1749 -36.1749 -36.1474 -36.1474 -36.0442 -36.0442 -0.9426 -0.9426 1.5698 1.5698 4.9264 4.9264 6.2460 6.2460 7.5991 7.5991 7.6303 7.6303 8.5727 8.5727 8.6372 8.6372 8.6848 8.6848 9.3909 9.3909 9.6940 9.6940 9.8195 9.8195 10.5453 10.5453 10.5852 10.5852 11.4985 11.4985 11.9960 11.9960 12.3113 12.3113 13.6813 13.6813 k = 0.0000 0.0000 0.0855 ( 7424 PWs) bands (ev): -67.5667 -67.5667 -67.5308 -67.5308 -37.3762 -37.3762 -37.3077 -37.3077 -36.1811 -36.1811 -36.1749 -36.1749 -36.1474 -36.1474 -36.0442 -36.0442 -0.9248 -0.9248 1.5112 1.5112 4.9891 4.9891 6.2674 6.2674 7.5765 7.5765 7.6088 7.6088 8.6126 8.6126 8.6756 8.6756 8.6854 8.6854 9.3340 9.3340 9.6846 9.6846 9.8225 9.8225 10.5476 10.5476 10.5875 10.5875 11.4990 11.4990 12.0819 12.0819 12.3116 12.3116 13.5735 13.5735 k = 0.0000 0.0000 0.0977 ( 7416 PWs) bands (ev): -67.5657 -67.5657 -67.5308 -67.5308 -37.3762 -37.3762 -37.3077 -37.3077 -36.1811 -36.1811 -36.1749 -36.1749 -36.1474 -36.1474 -36.0442 -36.0442 -0.9042 -0.9042 1.4470 1.4470 5.0567 5.0567 6.2924 6.2924 7.5530 7.5530 7.5863 7.5863 8.6558 8.6558 8.6851 8.6851 8.7186 8.7186 9.2742 9.2742 9.6715 9.6715 9.8310 9.8310 10.5519 10.5519 10.5918 10.5918 11.5065 11.5065 12.1753 12.1753 12.3122 12.3122 13.4638 13.4638 k = 0.0000 0.0000 0.1099 ( 7416 PWs) bands (ev): -67.5657 -67.5657 -67.5308 -67.5308 -37.3762 -37.3762 -37.3077 -37.3077 -36.1811 -36.1811 -36.1749 -36.1749 -36.1474 -36.1474 -36.0442 -36.0442 -0.8810 -0.8810 1.3781 1.3781 5.1281 5.1281 6.3213 6.3213 7.5291 7.5291 7.5634 7.5634 8.6854 8.6854 8.7017 8.7017 8.7636 8.7636 9.2128 9.2128 9.6557 9.6557 9.8404 9.8404 10.5515 10.5515 10.5915 10.5915 11.5062 11.5062 12.2720 12.2720 12.3160 12.3160 13.3536 13.3536 k = 0.0000 0.0000 0.1222 ( 7432 PWs) bands (ev): -67.5677 -67.5677 -67.5307 -67.5307 -37.3762 -37.3762 -37.3078 -37.3078 -36.1811 -36.1811 -36.1749 -36.1749 -36.1474 -36.1474 -36.0442 -36.0442 -0.8552 -0.8552 1.3053 1.3053 5.2009 5.2009 6.3537 6.3537 7.5052 7.5052 7.5404 7.5404 8.6844 8.6844 8.7496 8.7496 8.8108 8.8108 9.1509 9.1509 9.6306 9.6306 9.8507 9.8507 10.5419 10.5419 10.5819 10.5819 11.5032 11.5032 12.3080 12.3080 12.3859 12.3859 13.2440 13.2440 k = 0.0000 0.0000 0.1344 ( 7424 PWs) bands (ev): -67.5667 -67.5667 -67.5307 -67.5307 -37.3762 -37.3762 -37.3077 -37.3077 -36.1811 -36.1811 -36.1749 -36.1749 -36.1474 -36.1474 -36.0442 -36.0442 -0.8265 -0.8265 1.2296 1.2296 5.2755 5.2755 6.3903 6.3903 7.4816 7.4816 7.5177 7.5177 8.6886 8.6886 8.7992 8.7992 8.8598 8.8598 9.0900 9.0900 9.6096 9.6096 9.8616 9.8616 10.5470 10.5470 10.5871 10.5871 11.5037 11.5037 12.3097 12.3097 12.4944 12.4944 13.1358 13.1358 k = 0.0000 0.0000 0.1466 ( 7424 PWs) bands (ev): -67.5667 -67.5667 -67.5307 -67.5307 -37.3762 -37.3762 -37.3077 -37.3077 -36.1811 -36.1811 -36.1749 -36.1749 -36.1474 -36.1474 -36.0442 -36.0442 -0.7953 -0.7953 1.1515 1.1515 5.3497 5.3497 6.4309 6.4309 7.4587 7.4587 7.4955 7.4955 8.6887 8.6887 8.8497 8.8497 8.9100 8.9100 9.0308 9.0308 9.5856 9.5856 9.8731 9.8731 10.5466 10.5466 10.5867 10.5867 11.5034 11.5034 12.3101 12.3101 12.6072 12.6072 13.0300 13.0300 k = 0.0000 0.0000 0.1588 ( 7436 PWs) bands (ev): -67.5672 -67.5672 -67.5317 -67.5317 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1749 -36.1749 -36.1474 -36.1474 -36.0442 -36.0442 -0.7614 -0.7614 1.0716 1.0716 5.4216 5.4216 6.4735 6.4735 7.4359 7.4359 7.4734 7.4734 8.6885 8.6885 8.8999 8.8999 8.9607 8.9607 8.9746 8.9746 9.5605 9.5605 9.8831 9.8831 10.5410 10.5410 10.5812 10.5812 11.5018 11.5018 12.3099 12.3099 12.7201 12.7201 12.9267 12.9267 k = 0.0000 0.0000 0.1710 ( 7436 PWs) bands (ev): -67.5673 -67.5673 -67.5316 -67.5316 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1749 -36.1749 -36.1474 -36.1474 -36.0442 -36.0442 -0.7250 -0.7250 0.9907 0.9907 5.4914 5.4914 6.5219 6.5219 7.4148 7.4148 7.4529 7.4529 8.6887 8.6887 8.9167 8.9167 8.9561 8.9561 9.0119 9.0119 9.5301 9.5301 9.8954 9.8954 10.5407 10.5407 10.5809 10.5809 11.5016 11.5016 12.3100 12.3100 12.8081 12.8081 12.8552 12.8552 k = 0.0000 0.0000 0.1832 ( 7420 PWs) bands (ev): -67.5673 -67.5673 -67.5295 -67.5295 -37.3762 -37.3762 -37.3077 -37.3077 -36.1811 -36.1811 -36.1749 -36.1749 -36.1474 -36.1474 -36.0442 -36.0442 -0.6859 -0.6859 0.9090 0.9090 5.5582 5.5582 6.5744 6.5744 7.3989 7.3989 7.4378 7.4378 8.6890 8.6890 8.8701 8.8701 9.0054 9.0054 9.0633 9.0633 9.4967 9.4967 9.9078 9.9078 10.5405 10.5405 10.5807 10.5807 11.5014 11.5014 12.3143 12.3143 12.7313 12.7313 12.7652 12.7652 k = 0.0000 0.0000 0.1955 ( 7432 PWs) bands (ev): -67.5663 -67.5663 -67.5321 -67.5321 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1749 -36.1749 -36.1474 -36.1474 -36.0442 -36.0442 -0.6442 -0.6442 0.8270 0.8270 5.6201 5.6201 6.6283 6.6283 7.3764 7.3764 7.4156 7.4156 8.6899 8.6899 8.8267 8.8267 9.0549 9.0549 9.1131 9.1131 9.4622 9.4622 9.9158 9.9158 10.5456 10.5456 10.5858 10.5858 11.5015 11.5015 12.3030 12.3030 12.6347 12.6347 12.6662 12.6662 k = 0.0000 0.0000 0.2077 ( 7436 PWs) bands (ev): -67.5663 -67.5663 -67.5326 -67.5326 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1750 -36.1750 -36.1474 -36.1474 -36.0442 -36.0442 -0.6001 -0.6001 0.7451 0.7451 5.6773 5.6773 6.6840 6.6840 7.3581 7.3581 7.3978 7.3978 8.6901 8.6901 8.7893 8.7893 9.1034 9.1034 9.1619 9.1619 9.4220 9.4220 9.9268 9.9268 10.5456 10.5456 10.5857 10.5857 11.5014 11.5014 12.2994 12.2994 12.5466 12.5466 12.5763 12.5763 k = 0.0000 0.0000 0.2199 ( 7440 PWs) bands (ev): -67.5668 -67.5668 -67.5327 -67.5327 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1750 -36.1750 -36.1474 -36.1474 -36.0442 -36.0442 -0.5534 -0.5534 0.6636 0.6636 5.7296 5.7296 6.7394 6.7394 7.3420 7.3420 7.3821 7.3821 8.6904 8.6904 8.7588 8.7588 9.1501 9.1501 9.2090 9.2090 9.3754 9.3754 9.9363 9.9363 10.5453 10.5453 10.5853 10.5853 11.5012 11.5012 12.2991 12.2991 12.4652 12.4652 12.4928 12.4928 k = 0.0000 0.0000 0.2321 ( 7432 PWs) bands (ev): -67.5657 -67.5657 -67.5327 -67.5327 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1750 -36.1750 -36.1474 -36.1474 -36.0442 -36.0442 -0.5043 -0.5043 0.5828 0.5828 5.7764 5.7764 6.7943 6.7943 7.3275 7.3275 7.3679 7.3679 8.6970 8.6970 8.7361 8.7361 9.1938 9.1938 9.2538 9.2538 9.3311 9.3311 9.9471 9.9471 10.5466 10.5466 10.5866 10.5866 11.5049 11.5049 12.2963 12.2963 12.3915 12.3915 12.4154 12.4154 k = 0.0000 0.0000 0.2443 ( 7440 PWs) bands (ev): -67.5657 -67.5657 -67.5338 -67.5338 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1750 -36.1750 -36.1474 -36.1474 -36.0442 -36.0442 -0.4529 -0.4529 0.5029 0.5029 5.8169 5.8169 6.8461 6.8461 7.3137 7.3137 7.3544 7.3544 8.6972 8.6972 8.7219 8.7219 9.2308 9.2308 9.2859 9.2859 9.2954 9.2954 9.9556 9.9556 10.5470 10.5470 10.5869 10.5869 11.5047 11.5047 12.2798 12.2798 12.3299 12.3299 12.3435 12.3435 k = 0.0000 0.0000 0.2565 ( 7440 PWs) bands (ev): -67.5658 -67.5658 -67.5339 -67.5339 -37.3762 -37.3762 -37.3077 -37.3077 -36.1812 -36.1812 -36.1750 -36.1750 -36.1474 -36.1474 -36.0442 -36.0442 -0.3992 -0.3992 0.4242 0.4242 5.8528 5.8528 6.8954 6.8954 7.3025 7.3025 7.3434 7.3434 8.6956 8.6956 8.7167 8.7167 9.2224 9.2224 9.2820 9.2820 9.3334 9.3334 9.9646 9.9646 10.5451 10.5451 10.5849 10.5849 11.5065 11.5065 12.2416 12.2416 12.2804 12.2804 12.3055 12.3055 k = 0.0000 0.0000 0.2688 ( 7452 PWs) bands (ev): -67.5663 -67.5663 -67.5350 -67.5350 -37.3763 -37.3763 -37.3077 -37.3077 -36.1812 -36.1812 -36.1750 -36.1750 -36.1474 -36.1474 -36.0442 -36.0442 -0.3432 -0.3432 0.3469 0.3469 5.8831 5.8831 6.9375 6.9375 7.2925 7.2925 7.3336 7.3336 8.6957 8.6957 8.7206 8.7206 9.1709 9.1709 9.3115 9.3115 9.3670 9.3670 9.9632 9.9632 10.5439 10.5439 10.5836 10.5836 11.5064 11.5064 12.1913 12.1913 12.2248 12.2248 12.3005 12.3005 k = 0.0000 0.0000 0.2810 ( 7444 PWs) bands (ev): -67.5652 -67.5652 -67.5350 -67.5350 -37.3763 -37.3763 -37.3077 -37.3077 -36.1812 -36.1812 -36.1750 -36.1750 -36.1474 -36.1474 -36.0441 -36.0441 -0.2853 -0.2853 0.2714 0.2714 5.9080 5.9080 6.9740 6.9740 7.2846 7.2846 7.3259 7.3259 8.6990 8.6990 8.7335 8.7335 9.1175 9.1175 9.3392 9.3392 9.3958 9.3958 9.9698 9.9698 10.5493 10.5493 10.5888 10.5888 11.5091 11.5091 12.1471 12.1471 12.1786 12.1786 12.2989 12.2989 k = 0.0000 0.0000 0.2932 ( 7440 PWs) bands (ev): -67.5647 -67.5647 -67.5350 -67.5350 -37.3763 -37.3763 -37.3077 -37.3077 -36.1812 -36.1812 -36.1750 -36.1750 -36.1474 -36.1474 -36.0441 -36.0441 -0.2257 -0.2257 0.1981 0.1981 5.9274 5.9274 7.0033 7.0033 7.2784 7.2784 7.3199 7.3199 8.7029 8.7029 8.7543 8.7543 9.0646 9.0646 9.3618 9.3618 9.4188 9.4188 9.9750 9.9750 10.5510 10.5510 10.5904 10.5904 11.5090 11.5090 12.1114 12.1114 12.1419 12.1419 12.2982 12.2982 k = 0.0000 0.0000 0.3054 ( 7424 PWs) bands (ev): -67.5627 -67.5627 -67.5350 -67.5350 -37.3763 -37.3763 -37.3077 -37.3077 -36.1812 -36.1812 -36.1750 -36.1750 -36.1473 -36.1473 -36.0441 -36.0441 -0.1654 -0.1654 0.1280 0.1280 5.9414 5.9414 7.0272 7.0272 7.2740 7.2740 7.3156 7.3156 8.7056 8.7056 8.7812 8.7812 9.0175 9.0175 9.3785 9.3785 9.4359 9.4359 9.9788 9.9788 10.5600 10.5600 10.5994 10.5994 11.5091 11.5091 12.0854 12.0854 12.1153 12.1153 12.2978 12.2978 k = 0.0000 0.0000 0.3176 ( 7432 PWs) bands (ev): -67.5627 -67.5627 -67.5361 -67.5361 -37.3763 -37.3763 -37.3077 -37.3077 -36.1813 -36.1813 -36.1751 -36.1751 -36.1473 -36.1473 -36.0441 -36.0441 -0.1079 -0.1079 0.0646 0.0646 5.9491 5.9491 7.0401 7.0401 7.2694 7.2694 7.3110 7.3110 8.7056 8.7056 8.8078 8.8078 8.9765 8.9765 9.3886 9.3886 9.4462 9.4462 9.9805 9.9805 10.5602 10.5602 10.5995 10.5995 11.5091 11.5091 12.0661 12.0661 12.0957 12.0957 12.2966 12.2966 k = 0.0000 0.0000 0.3298 ( 7432 PWs) bands (ev): -67.5627 -67.5627 -67.5361 -67.5361 -37.3763 -37.3763 -37.3077 -37.3077 -36.1813 -36.1813 -36.1751 -36.1751 -36.1473 -36.1473 -36.0441 -36.0441 -0.0750 -0.0750 0.0297 0.0297 5.9519 5.9519 7.0444 7.0444 7.2685 7.2685 7.3101 7.3101 8.7056 8.7056 8.8210 8.8210 8.9586 8.9586 9.3921 9.3921 9.4497 9.4497 9.9813 9.9813 10.5602 10.5602 10.5996 10.5996 11.5091 11.5091 12.0608 12.0608 12.0903 12.0903 12.2965 12.2965 k = 0.0000 0.0000 0.3298 ( 7432 PWs) bands (ev): -67.5627 -67.5627 -67.5361 -67.5361 -37.3763 -37.3763 -37.3077 -37.3077 -36.1813 -36.1813 -36.1751 -36.1751 -36.1473 -36.1473 -36.0441 -36.0441 -0.0750 -0.0750 0.0297 0.0297 5.9519 5.9519 7.0444 7.0444 7.2685 7.2685 7.3101 7.3101 8.7056 8.7056 8.8210 8.8210 8.9586 8.9586 9.3921 9.3921 9.4497 9.4497 9.9813 9.9813 10.5602 10.5602 10.5996 10.5996 11.5091 11.5091 12.0608 12.0608 12.0903 12.0903 12.2965 12.2965 k = 0.0000 0.0122 0.3298 ( 7432 PWs) bands (ev): -67.5627 -67.5627 -67.5361 -67.5361 -37.3763 -37.3763 -37.3077 -37.3077 -36.1812 -36.1812 -36.1751 -36.1751 -36.1473 -36.1473 -36.0441 -36.0441 -0.0738 -0.0738 0.0311 0.0311 5.9510 5.9510 7.0296 7.0296 7.2735 7.2735 7.3145 7.3145 8.7060 8.7060 8.8207 8.8207 8.9628 8.9628 9.3842 9.3842 9.4430 9.4430 9.9916 9.9916 10.5605 10.5605 10.5998 10.5998 11.5080 11.5080 12.0546 12.0546 12.0861 12.0861 12.2965 12.2965 k = 0.0000 0.0244 0.3298 ( 7432 PWs) bands (ev): -67.5632 -67.5632 -67.5356 -67.5356 -37.3762 -37.3762 -37.3078 -37.3078 -36.1810 -36.1810 -36.1750 -36.1750 -36.1473 -36.1473 -36.0443 -36.0443 -0.0703 -0.0703 0.0351 0.0351 5.9483 5.9483 6.9900 6.9900 7.2838 7.2838 7.3297 7.3297 8.7034 8.7034 8.8196 8.8196 8.9751 8.9751 9.3545 9.3545 9.4323 9.4323 10.0200 10.0200 10.5594 10.5594 10.5999 10.5999 11.5049 11.5049 12.0316 12.0316 12.0830 12.0830 12.2970 12.2970 k = 0.0000 0.0366 0.3298 ( 7440 PWs) bands (ev): -67.5641 -67.5641 -67.5356 -67.5356 -37.3760 -37.3760 -37.3079 -37.3079 -36.1808 -36.1808 -36.1750 -36.1750 -36.1474 -36.1474 -36.0446 -36.0446 -0.0643 -0.0643 0.0417 0.0417 5.9433 5.9433 6.9328 6.9328 7.2930 7.2930 7.3515 7.3515 8.7000 8.7000 8.8179 8.8179 8.9948 8.9948 9.3007 9.3007 9.4263 9.4263 10.0594 10.0594 10.5550 10.5550 10.6003 10.6003 11.4979 11.4979 11.9863 11.9863 12.0844 12.0844 12.2972 12.2972 k = 0.0000 0.0488 0.3298 ( 7444 PWs) bands (ev): -67.5651 -67.5651 -67.5352 -67.5352 -37.3759 -37.3759 -37.3081 -37.3081 -36.1805 -36.1805 -36.1749 -36.1749 -36.1475 -36.1475 -36.0450 -36.0450 -0.0560 -0.0560 0.0511 0.0511 5.9367 5.9367 6.8634 6.8634 7.3023 7.3023 7.3772 7.3772 8.6978 8.6978 8.8156 8.8156 9.0210 9.0210 9.2312 9.2312 9.4235 9.4235 10.1054 10.1054 10.5489 10.5489 10.6037 10.6037 11.4873 11.4873 11.9293 11.9293 12.0889 12.0889 12.3009 12.3009 k = 0.0000 0.0610 0.3298 ( 7444 PWs) bands (ev): -67.5655 -67.5655 -67.5347 -67.5347 -37.3756 -37.3756 -37.3083 -37.3083 -36.1800 -36.1800 -36.1749 -36.1749 -36.1477 -36.1477 -36.0455 -36.0455 -0.0454 -0.0454 0.0631 0.0631 5.9283 5.9283 6.7840 6.7840 7.3124 7.3124 7.4036 7.4036 8.7007 8.7007 8.8128 8.8128 9.0518 9.0518 9.1529 9.1529 9.4218 9.4218 10.1533 10.1533 10.5394 10.5394 10.6125 10.6125 11.4778 11.4778 11.8655 11.8655 12.0952 12.0952 12.3017 12.3017 k = 0.0000 0.0732 0.3298 ( 7446 PWs) bands (ev): -67.5656 -67.5656 -67.5348 -67.5348 -37.3753 -37.3753 -37.3086 -37.3086 -36.1795 -36.1795 -36.1748 -36.1748 -36.1478 -36.1478 -36.0461 -36.0461 -0.0323 -0.0323 0.0778 0.0778 5.9158 5.9158 6.6966 6.6966 7.3241 7.3241 7.4303 7.4303 8.7048 8.7048 8.8091 8.8091 9.0618 9.0618 9.0948 9.0948 9.4206 9.4206 10.1993 10.1993 10.5292 10.5292 10.6247 10.6247 11.4651 11.4651 11.7978 11.7978 12.1031 12.1031 12.3026 12.3026 k = 0.0000 0.0854 0.3298 ( 7442 PWs) bands (ev): -67.5660 -67.5660 -67.5339 -67.5339 -37.3750 -37.3750 -37.3089 -37.3089 -36.1788 -36.1788 -36.1746 -36.1746 -36.1480 -36.1480 -36.0468 -36.0468 -0.0170 -0.0170 0.0951 0.0951 5.9013 5.9013 6.6026 6.6026 7.3394 7.3394 7.4569 7.4569 8.7086 8.7086 8.8049 8.8049 8.9795 8.9795 9.1289 9.1289 9.4193 9.4193 10.2444 10.2444 10.5121 10.5121 10.6403 10.6403 11.4555 11.4555 11.7317 11.7317 12.1158 12.1158 12.3053 12.3053 k = 0.0000 0.0976 0.3298 ( 7440 PWs) bands (ev): -67.5658 -67.5658 -67.5338 -67.5338 -37.3746 -37.3746 -37.3093 -37.3093 -36.1781 -36.1781 -36.1745 -36.1745 -36.1482 -36.1482 -36.0476 -36.0476 0.0007 0.0007 0.1151 0.1151 5.8831 5.8831 6.5016 6.5016 7.3551 7.3551 7.4832 7.4832 8.7142 8.7142 8.7995 8.7995 8.8941 8.8941 9.1678 9.1678 9.4182 9.4182 10.2885 10.2885 10.4970 10.4970 10.6615 10.6615 11.4392 11.4392 11.6627 11.6627 12.1276 12.1276 12.3112 12.3112 k = 0.0000 0.1098 0.3298 ( 7434 PWs) bands (ev): -67.5654 -67.5654 -67.5334 -67.5334 -37.3742 -37.3742 -37.3097 -37.3097 -36.1773 -36.1773 -36.1744 -36.1744 -36.1484 -36.1484 -36.0484 -36.0484 0.0207 0.0207 0.1376 0.1376 5.8602 5.8602 6.3968 6.3968 7.3728 7.3728 7.5114 7.5114 8.7208 8.7208 8.7838 8.7838 8.8192 8.8192 9.2082 9.2082 9.4170 9.4170 10.3273 10.3273 10.4815 10.4815 10.6884 10.6884 11.4182 11.4182 11.6009 11.6009 12.1410 12.1410 12.3179 12.3179 k = 0.0000 0.1220 0.3298 ( 7428 PWs) bands (ev): -67.5649 -67.5649 -67.5331 -67.5331 -37.3737 -37.3737 -37.3101 -37.3101 -36.1764 -36.1764 -36.1742 -36.1742 -36.1486 -36.1486 -36.0494 -36.0494 0.0430 0.0430 0.1627 0.1627 5.8331 5.8331 6.2876 6.2876 7.3926 7.3926 7.5403 7.5403 8.7155 8.7155 8.7314 8.7314 8.7985 8.7985 9.2479 9.2479 9.4157 9.4157 10.3625 10.3625 10.4622 10.4622 10.7140 10.7140 11.3958 11.3958 11.5434 11.5434 12.1562 12.1562 12.3252 12.3252 k = 0.0000 0.1341 0.3298 ( 7428 PWs) bands (ev): -67.5641 -67.5641 -67.5338 -67.5338 -37.3732 -37.3732 -37.3106 -37.3106 -36.1754 -36.1754 -36.1741 -36.1741 -36.1489 -36.1489 -36.0505 -36.0505 0.0676 0.0676 0.1904 0.1904 5.8008 5.8008 6.1741 6.1741 7.4135 7.4135 7.5695 7.5695 8.6364 8.6364 8.7427 8.7427 8.7923 8.7923 9.2841 9.2841 9.4141 9.4141 10.3938 10.3938 10.4417 10.4417 10.7441 10.7441 11.3716 11.3716 11.4888 11.4888 12.1715 12.1715 12.3288 12.3288 k = 0.0000 0.1463 0.3298 ( 7432 PWs) bands (ev): -67.5644 -67.5644 -67.5340 -67.5340 -37.3726 -37.3726 -37.3112 -37.3112 -36.1744 -36.1744 -36.1738 -36.1738 -36.1492 -36.1492 -36.0517 -36.0517 0.0944 0.0944 0.2204 0.2204 5.7645 5.7645 6.0583 6.0583 7.4363 7.4363 7.6002 7.6002 8.5617 8.5617 8.7487 8.7487 8.7876 8.7876 9.3179 9.3179 9.4122 9.4122 10.4120 10.4120 10.4265 10.4265 10.7727 10.7727 11.3432 11.3432 11.4426 11.4426 12.1882 12.1882 12.3291 12.3291 k = 0.0000 0.1585 0.3298 ( 7436 PWs) bands (ev): -67.5641 -67.5641 -67.5347 -67.5347 -37.3720 -37.3720 -37.3118 -37.3118 -36.1738 -36.1738 -36.1731 -36.1731 -36.1495 -36.1495 -36.0529 -36.0529 0.1234 0.1234 0.2529 0.2529 5.7211 5.7211 5.9402 5.9402 7.4610 7.4610 7.6320 7.6320 8.4897 8.4897 8.7579 8.7579 8.7830 8.7830 9.3469 9.3469 9.4112 9.4112 10.3901 10.3901 10.4469 10.4469 10.8068 10.8068 11.3127 11.3127 11.4028 11.4028 12.2064 12.2064 12.3335 12.3335 k = 0.0000 0.1707 0.3298 ( 7444 PWs) bands (ev): -67.5633 -67.5633 -67.5365 -67.5365 -37.3713 -37.3713 -37.3124 -37.3124 -36.1736 -36.1736 -36.1720 -36.1720 -36.1498 -36.1498 -36.0543 -36.0543 0.1547 0.1547 0.2879 0.2879 5.6717 5.6717 5.8199 5.8199 7.4870 7.4870 7.6640 7.6640 8.4247 8.4247 8.7722 8.7722 8.7794 8.7794 9.3672 9.3672 9.4118 9.4118 10.3649 10.3649 10.4643 10.4643 10.8451 10.8451 11.2805 11.2805 11.3678 11.3678 12.2249 12.2249 12.3306 12.3306 k = 0.0000 0.1829 0.3298 ( 7452 PWs) bands (ev): -67.5635 -67.5635 -67.5373 -67.5373 -37.3706 -37.3706 -37.3131 -37.3131 -36.1734 -36.1734 -36.1707 -36.1707 -36.1502 -36.1502 -36.0557 -36.0557 0.1880 0.1880 0.3250 0.3250 5.6165 5.6165 5.6987 5.6987 7.5156 7.5156 7.6984 7.6984 8.3668 8.3668 8.7750 8.7750 8.7815 8.7815 9.3776 9.3776 9.4186 9.4186 10.3338 10.3338 10.4795 10.4795 10.8810 10.8810 11.2483 11.2483 11.3381 11.3381 12.2459 12.2459 12.3376 12.3376 k = 0.0000 0.1951 0.3298 ( 7448 PWs) bands (ev): -67.5632 -67.5632 -67.5371 -67.5371 -37.3699 -37.3699 -37.3138 -37.3138 -36.1731 -36.1731 -36.1693 -36.1693 -36.1505 -36.1505 -36.0572 -36.0572 0.2235 0.2235 0.3645 0.3645 5.5559 5.5559 5.5775 5.5775 7.5468 7.5468 7.7344 7.7344 8.3164 8.3164 8.7723 8.7723 8.7928 8.7928 9.3787 9.3787 9.4311 9.4311 10.3028 10.3028 10.4940 10.4940 10.9224 10.9224 11.2174 11.2174 11.3136 11.3136 12.2698 12.2698 12.3498 12.3498 k = 0.0000 0.2073 0.3298 ( 7456 PWs) bands (ev): -67.5634 -67.5634 -67.5379 -67.5379 -37.3691 -37.3691 -37.3146 -37.3146 -36.1729 -36.1729 -36.1678 -36.1678 -36.1509 -36.1509 -36.0589 -36.0589 0.2611 0.2611 0.4061 0.4061 5.4544 5.4544 5.4905 5.4905 7.5785 7.5785 7.7716 7.7716 8.2733 8.2733 8.7695 8.7695 8.8011 8.8011 9.3737 9.3737 9.4418 9.4418 10.2681 10.2681 10.5038 10.5038 10.9624 10.9624 11.1897 11.1897 11.2933 11.2933 12.2925 12.2925 12.3558 12.3558 k = 0.0000 0.2195 0.3298 ( 7440 PWs) bands (ev): -67.5615 -67.5615 -67.5377 -67.5377 -37.3683 -37.3683 -37.3153 -37.3153 -36.1726 -36.1726 -36.1662 -36.1662 -36.1513 -36.1513 -36.0605 -36.0605 0.3007 0.3007 0.4498 0.4498 5.3326 5.3326 5.4185 5.4185 7.6123 7.6123 7.8125 7.8125 8.2380 8.2380 8.7685 8.7685 8.8205 8.8205 9.3675 9.3675 9.4509 9.4509 10.2355 10.2355 10.5133 10.5133 11.0089 11.0089 11.1620 11.1620 11.2801 11.2801 12.3174 12.3174 12.3729 12.3729 k = 0.0000 0.2317 0.3298 ( 7436 PWs) bands (ev): -67.5611 -67.5611 -67.5375 -67.5375 -37.3674 -37.3674 -37.3162 -37.3162 -36.1723 -36.1723 -36.1646 -36.1646 -36.1517 -36.1517 -36.0623 -36.0623 0.3423 0.3423 0.4955 0.4955 5.2110 5.2110 5.3418 5.3418 7.6486 7.6486 7.8519 7.8519 8.2101 8.2101 8.7688 8.7688 8.8314 8.8314 9.3584 9.3584 9.4549 9.4549 10.1992 10.1992 10.5226 10.5226 11.0564 11.0564 11.1315 11.1315 11.2727 11.2727 12.3435 12.3435 12.3849 12.3849 k = 0.0000 0.2439 0.3298 ( 7424 PWs) bands (ev): -67.5592 -67.5592 -67.5379 -67.5379 -37.3665 -37.3665 -37.3170 -37.3170 -36.1720 -36.1720 -36.1629 -36.1629 -36.1520 -36.1520 -36.0641 -36.0641 0.3857 0.3857 0.5431 0.5431 5.0900 5.0900 5.2594 5.2594 7.6854 7.6854 7.8934 7.8934 8.1896 8.1896 8.7722 8.7722 8.8460 8.8460 9.3483 9.3483 9.4536 9.4536 10.1624 10.1624 10.5263 10.5263 11.0854 11.0854 11.1317 11.1317 11.2719 11.2719 12.3692 12.3692 12.4035 12.4035 k = 0.0000 0.2561 0.3298 ( 7436 PWs) bands (ev): -67.5599 -67.5599 -67.5388 -67.5388 -37.3655 -37.3655 -37.3180 -37.3180 -36.1717 -36.1717 -36.1611 -36.1611 -36.1525 -36.1525 -36.0661 -36.0661 0.4310 0.4310 0.5922 0.5922 4.9700 4.9700 5.1721 5.1721 7.7219 7.7219 7.9337 7.9337 8.1757 8.1757 8.7722 8.7722 8.8589 8.8589 9.3357 9.3357 9.4478 9.4478 10.1194 10.1194 10.5277 10.5277 11.0543 11.0543 11.1700 11.1700 11.2767 11.2767 12.3924 12.3924 12.4218 12.4218 k = 0.0000 0.2683 0.3298 ( 7436 PWs) bands (ev): -67.5595 -67.5595 -67.5392 -67.5392 -37.3646 -37.3646 -37.3189 -37.3189 -36.1713 -36.1713 -36.1592 -36.1592 -36.1530 -36.1530 -36.0681 -36.0681 0.4779 0.4779 0.6429 0.6429 4.8514 4.8514 5.0814 5.0814 7.7618 7.7618 7.9757 7.9757 8.1684 8.1684 8.7744 8.7744 8.8754 8.8754 9.3224 9.3224 9.4379 9.4379 10.0795 10.0795 10.5267 10.5267 11.0147 11.0147 11.2190 11.2190 11.2876 11.2876 12.4188 12.4188 12.4460 12.4460 k = 0.0000 0.2805 0.3298 ( 7434 PWs) bands (ev): -67.5588 -67.5588 -67.5396 -67.5396 -37.3635 -37.3635 -37.3199 -37.3199 -36.1710 -36.1710 -36.1573 -36.1573 -36.1534 -36.1534 -36.0701 -36.0701 0.5265 0.5265 0.6951 0.6951 4.7346 4.7346 4.9879 4.9879 7.8002 7.8002 8.0182 8.0182 8.1689 8.1689 8.7782 8.7782 8.8916 8.8916 9.3077 9.3077 9.4242 9.4242 10.0388 10.0388 10.5260 10.5260 10.9775 10.9775 11.2700 11.2700 11.3037 11.3037 12.4441 12.4441 12.4708 12.4708 k = 0.0000 0.2927 0.3298 ( 7422 PWs) bands (ev): -67.5574 -67.5574 -67.5395 -67.5395 -37.3625 -37.3625 -37.3209 -37.3209 -36.1706 -36.1706 -36.1553 -36.1553 -36.1539 -36.1539 -36.0722 -36.0722 0.5766 0.5766 0.7484 0.7484 4.6201 4.6201 4.8914 4.8914 7.8430 7.8430 8.0616 8.0616 8.1734 8.1734 8.7829 8.7829 8.9129 8.9129 9.2913 9.2913 9.4097 9.4097 9.9976 9.9976 10.5239 10.5239 10.9420 10.9420 11.3218 11.3218 11.3254 11.3254 12.4722 12.4722 12.4996 12.4996 k = 0.0000 0.3049 0.3298 ( 7414 PWs) bands (ev): -67.5569 -67.5569 -67.5388 -67.5388 -37.3614 -37.3614 -37.3219 -37.3219 -36.1702 -36.1702 -36.1544 -36.1544 -36.1532 -36.1532 -36.0744 -36.0744 0.6280 0.6280 0.8025 0.8025 4.5083 4.5083 4.7933 4.7933 7.8871 7.8871 8.1046 8.1046 8.1833 8.1833 8.7887 8.7887 8.9306 8.9306 9.2731 9.2731 9.3937 9.3937 9.9552 9.9552 10.5229 10.5229 10.8987 10.8987 11.3505 11.3505 11.3737 11.3737 12.5013 12.5013 12.5301 12.5301 k = 0.0000 0.3171 0.3298 ( 7426 PWs) bands (ev): -67.5570 -67.5570 -67.5403 -67.5403 -37.3603 -37.3603 -37.3230 -37.3230 -36.1699 -36.1699 -36.1549 -36.1549 -36.1511 -36.1511 -36.0767 -36.0767 0.6806 0.6806 0.8572 0.8572 4.3990 4.3990 4.6934 4.6934 7.9322 7.9322 8.1466 8.1466 8.1958 8.1958 8.7953 8.7953 8.9467 8.9467 9.2518 9.2518 9.3702 9.3702 9.9115 9.9115 10.5123 10.5123 10.8506 10.8506 11.3780 11.3780 11.4250 11.4250 12.5273 12.5273 12.5608 12.5608 k = 0.0000 0.3293 0.3298 ( 7426 PWs) bands (ev): -67.5571 -67.5571 -67.5402 -67.5402 -37.3592 -37.3592 -37.3241 -37.3241 -36.1695 -36.1695 -36.1554 -36.1554 -36.1489 -36.1489 -36.0790 -36.0790 0.7342 0.7342 0.9122 0.9122 4.2933 4.2933 4.5934 4.5934 7.9803 7.9803 8.1885 8.1885 8.2137 8.2137 8.8024 8.8024 8.9659 8.9659 9.2303 9.2303 9.3478 9.3478 9.8697 9.8697 10.5024 10.5024 10.8005 10.8005 11.4089 11.4089 11.4728 11.4728 12.5599 12.5599 12.5958 12.5958 k = 0.0000 0.3415 0.3298 ( 7410 PWs) bands (ev): -67.5551 -67.5551 -67.5402 -67.5402 -37.3580 -37.3580 -37.3252 -37.3252 -36.1691 -36.1691 -36.1559 -36.1559 -36.1467 -36.1467 -36.0813 -36.0813 0.7886 0.7886 0.9672 0.9672 4.1916 4.1916 4.4935 4.4935 8.0289 8.0289 8.2280 8.2280 8.2362 8.2362 8.8135 8.8135 8.9903 8.9903 9.2074 9.2074 9.3247 9.3247 9.8275 9.8275 10.4912 10.4912 10.7643 10.7643 11.4424 11.4424 11.5263 11.5263 12.5955 12.5955 12.6310 12.6310 k = 0.0000 0.3537 0.3298 ( 7406 PWs) bands (ev): -67.5546 -67.5546 -67.5401 -67.5401 -37.3568 -37.3568 -37.3264 -37.3264 -36.1686 -36.1686 -36.1564 -36.1564 -36.1444 -36.1444 -36.0836 -36.0836 0.8435 0.8435 1.0215 1.0215 4.0943 4.0943 4.3947 4.3947 8.0776 8.0776 8.2545 8.2545 8.2725 8.2725 8.8228 8.8228 9.0108 9.0108 9.1816 9.1816 9.3006 9.3006 9.7842 9.7842 10.4837 10.4837 10.7230 10.7230 11.4777 11.4777 11.5719 11.5719 12.6298 12.6298 12.6652 12.6652 k = 0.0000 0.3659 0.3298 ( 7418 PWs) bands (ev): -67.5541 -67.5541 -67.5421 -67.5421 -37.3556 -37.3556 -37.3275 -37.3275 -36.1682 -36.1682 -36.1570 -36.1570 -36.1421 -36.1421 -36.0861 -36.0861 0.8986 0.8986 1.0746 1.0746 4.0019 4.0019 4.2967 4.2967 8.1270 8.1270 8.2777 8.2777 8.3104 8.3104 8.8343 8.8343 9.0316 9.0316 9.1513 9.1513 9.2746 9.2746 9.7387 9.7387 10.4641 10.4641 10.6796 10.6796 11.5136 11.5136 11.6185 11.6185 12.6570 12.6570 12.6985 12.6985 k = 0.0000 0.3780 0.3298 ( 7410 PWs) bands (ev): -67.5526 -67.5526 -67.5426 -67.5426 -37.3544 -37.3544 -37.3287 -37.3287 -36.1678 -36.1678 -36.1575 -36.1575 -36.1398 -36.1398 -36.0885 -36.0885 0.9535 0.9535 1.1260 1.1260 3.9153 3.9153 4.2012 4.2012 8.1776 8.1776 8.3028 8.3028 8.3474 8.3474 8.8485 8.8485 9.0574 9.0574 9.1223 9.1223 9.2498 9.2498 9.6967 9.6967 10.4501 10.4501 10.6383 10.6383 11.5508 11.5508 11.6645 11.6645 12.6932 12.6932 12.7330 12.7330 k = 0.0000 0.3902 0.3298 ( 7410 PWs) bands (ev): -67.5516 -67.5516 -67.5436 -67.5436 -37.3532 -37.3532 -37.3299 -37.3299 -36.1674 -36.1674 -36.1580 -36.1580 -36.1374 -36.1374 -36.0910 -36.0910 1.0079 1.0079 1.1749 1.1749 3.8352 3.8352 4.1086 4.1086 8.2268 8.2268 8.3284 8.3284 8.3809 8.3809 8.8627 8.8627 9.0750 9.0750 9.0979 9.0979 9.2244 9.2244 9.6561 9.6561 10.4340 10.4340 10.5986 10.5986 11.5877 11.5877 11.7055 11.7055 12.7294 12.7294 12.7646 12.7646 k = 0.0000 0.4024 0.3298 ( 7402 PWs) bands (ev): -67.5511 -67.5511 -67.5431 -67.5431 -37.3519 -37.3519 -37.3312 -37.3312 -36.1669 -36.1669 -36.1586 -36.1586 -36.1349 -36.1349 -36.0935 -36.0935 1.0613 1.0613 1.2205 1.2205 3.7626 3.7626 4.0198 4.0198 8.2786 8.2786 8.3551 8.3551 8.4128 8.4128 8.8788 8.8788 9.0518 9.0518 9.1080 9.1080 9.2045 9.2045 9.6151 9.6151 10.4212 10.4212 10.5597 10.5597 11.6256 11.6256 11.7437 11.7437 12.7663 12.7663 12.7974 12.7974 k = 0.0000 0.4146 0.3298 ( 7414 PWs) bands (ev): -67.5516 -67.5516 -67.5441 -67.5441 -37.3506 -37.3506 -37.3324 -37.3324 -36.1664 -36.1664 -36.1591 -36.1591 -36.1324 -36.1324 -36.0961 -36.0961 1.1130 1.1130 1.2619 1.2619 3.6979 3.6979 3.9353 3.9353 8.3294 8.3294 8.3808 8.3808 8.4391 8.4391 8.8945 8.8945 9.0139 9.0139 9.1255 9.1255 9.1803 9.1803 9.5714 9.5714 10.4079 10.4079 10.5230 10.5230 11.6612 11.6612 11.7759 11.7759 12.7970 12.7970 12.8267 12.8267 k = 0.0000 0.4268 0.3298 ( 7410 PWs) bands (ev): -67.5506 -67.5506 -67.5446 -67.5446 -37.3494 -37.3494 -37.3337 -37.3337 -36.1659 -36.1659 -36.1596 -36.1596 -36.1299 -36.1299 -36.0987 -36.0987 1.1623 1.1623 1.2983 1.2983 3.6425 3.6425 3.8560 3.8560 8.3812 8.3812 8.4058 8.4058 8.4626 8.4626 8.9119 8.9119 8.9759 8.9759 9.1485 9.1485 9.1592 9.1592 9.5323 9.5323 10.3954 10.3954 10.4936 10.4936 11.6960 11.6960 11.8050 11.8050 12.8305 12.8305 12.8559 12.8559 k = 0.0000 0.4390 0.3298 ( 7406 PWs) bands (ev): -67.5501 -67.5501 -67.5446 -67.5446 -37.3481 -37.3481 -37.3350 -37.3350 -36.1654 -36.1654 -36.1602 -36.1602 -36.1273 -36.1273 -36.1013 -36.1013 1.2087 1.2087 1.3285 1.3285 3.5972 3.5972 3.7830 3.7830 8.4268 8.4268 8.4379 8.4379 8.4820 8.4820 8.9227 8.9227 8.9428 8.9428 9.1318 9.1318 9.1775 9.1775 9.4946 9.4946 10.3878 10.3878 10.4641 10.4641 11.7288 11.7288 11.8279 11.8279 12.8618 12.8618 12.8828 12.8828 k = 0.0000 0.4512 0.3298 ( 7406 PWs) bands (ev): -67.5496 -67.5496 -67.5451 -67.5451 -37.3468 -37.3468 -37.3363 -37.3363 -36.1649 -36.1649 -36.1607 -36.1607 -36.1248 -36.1248 -36.1038 -36.1038 1.2511 1.2511 1.3518 1.3518 3.5629 3.5629 3.7172 3.7172 8.4501 8.4501 8.4833 8.4833 8.5015 8.5015 8.8869 8.8869 8.9525 8.9525 9.1101 9.1101 9.2065 9.2065 9.4572 9.4572 10.3788 10.3788 10.4369 10.4369 11.7596 11.7596 11.8442 11.8442 12.8888 12.8888 12.9060 12.9060 k = 0.0000 0.4634 0.3298 ( 7394 PWs) bands (ev): -67.5483 -67.5483 -67.5448 -67.5448 -37.3454 -37.3454 -37.3376 -37.3376 -36.1644 -36.1644 -36.1613 -36.1613 -36.1222 -36.1222 -36.1064 -36.1064 1.2888 1.2888 1.3674 1.3674 3.5404 3.5404 3.6598 3.6598 8.4689 8.4689 8.5036 8.5036 8.5453 8.5453 8.8430 8.8430 8.9717 8.9717 9.0903 9.0903 9.2365 9.2365 9.4241 9.4241 10.3762 10.3762 10.4162 10.4162 11.7881 11.7881 11.8551 11.8551 12.9135 12.9135 12.9256 12.9256 k = 0.0000 0.4756 0.3298 ( 7398 PWs) bands (ev): -67.5483 -67.5483 -67.5454 -67.5454 -37.3441 -37.3441 -37.3389 -37.3389 -36.1639 -36.1639 -36.1618 -36.1618 -36.1195 -36.1195 -36.1091 -36.1091 1.3207 1.3207 1.3747 1.3747 3.5302 3.5302 3.6116 3.6116 8.4844 8.4844 8.5094 8.5094 8.5961 8.5961 8.7959 8.7959 8.9901 8.9901 9.0699 9.0699 9.2627 9.2627 9.3903 9.3903 10.3724 10.3724 10.3974 10.3974 11.8123 11.8123 11.8581 11.8581 12.9310 12.9310 12.9382 12.9382 k = 0.0000 0.4878 0.3298 ( 7410 PWs) bands (ev): -67.5486 -67.5486 -67.5467 -67.5467 -37.3428 -37.3428 -37.3402 -37.3402 -36.1634 -36.1634 -36.1624 -36.1624 -36.1170 -36.1170 -36.1117 -36.1117 1.3460 1.3460 1.3735 1.3735 3.5324 3.5324 3.5737 3.5737 8.4963 8.4963 8.5081 8.5081 8.6454 8.6454 8.7459 8.7459 9.0085 9.0085 9.0481 9.0481 9.2893 9.2893 9.3536 9.3536 10.3750 10.3750 10.3847 10.3847 11.8310 11.8310 11.8546 11.8546 12.9397 12.9397 12.9433 12.9433 k = 0.0000 0.5000 0.3298 ( 7408 PWs) bands (ev): -67.5475 -67.5475 -67.5475 -67.5475 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.3638 1.3638 1.3638 1.3638 3.5471 3.5471 3.5471 3.5471 8.5040 8.5040 8.5040 8.5040 8.6964 8.6964 8.6964 8.6964 9.0280 9.0280 9.0280 9.0280 9.3223 9.3223 9.3223 9.3223 10.3779 10.3779 10.3779 10.3779 11.8456 11.8456 11.8456 11.8456 12.9454 12.9454 12.9454 12.9454 k = 0.0000 0.5000 0.3298 ( 7408 PWs) bands (ev): -67.5475 -67.5475 -67.5475 -67.5475 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.3638 1.3638 1.3638 1.3638 3.5471 3.5471 3.5471 3.5471 8.5040 8.5040 8.5040 8.5040 8.6964 8.6964 8.6964 8.6964 9.0280 9.0280 9.0280 9.0280 9.3223 9.3223 9.3223 9.3223 10.3779 10.3779 10.3779 10.3779 11.8456 11.8456 11.8456 11.8456 12.9454 12.9454 12.9454 12.9454 k = 0.0122 0.5000 0.3298 ( 7412 PWs) bands (ev): -67.5478 -67.5478 -67.5478 -67.5478 -37.3415 -37.3415 -37.3415 -37.3415 -36.1630 -36.1630 -36.1630 -36.1630 -36.1143 -36.1143 -36.1143 -36.1143 1.3647 1.3647 1.3649 1.3649 3.5483 3.5483 3.5486 3.5486 8.4974 8.4974 8.5021 8.5021 8.6928 8.6928 8.6956 8.6956 9.0253 9.0253 9.0299 9.0299 9.3196 9.3196 9.3242 9.3242 10.3772 10.3772 10.3775 10.3775 11.8321 11.8321 11.8346 11.8346 12.9454 12.9454 12.9540 12.9540 k = 0.0244 0.5000 0.3298 ( 7400 PWs) bands (ev): -67.5470 -67.5470 -67.5470 -67.5470 -37.3415 -37.3415 -37.3415 -37.3415 -36.1632 -36.1632 -36.1632 -36.1632 -36.1140 -36.1140 -36.1140 -36.1140 1.3676 1.3676 1.3680 1.3680 3.5523 3.5523 3.5530 3.5530 8.4858 8.4858 8.4951 8.4951 8.6859 8.6859 8.6913 8.6913 9.0229 9.0229 9.0318 9.0318 9.3209 9.3209 9.3299 9.3299 10.3813 10.3813 10.3818 10.3818 11.7975 11.7975 11.8017 11.8017 12.9545 12.9545 12.9705 12.9705 k = 0.0366 0.5000 0.3298 ( 7404 PWs) bands (ev): -67.5472 -67.5472 -67.5472 -67.5472 -37.3416 -37.3416 -37.3415 -37.3415 -36.1636 -36.1636 -36.1635 -36.1635 -36.1137 -36.1137 -36.1136 -36.1136 1.3725 1.3725 1.3731 1.3731 3.5591 3.5591 3.5601 3.5601 8.4653 8.4653 8.4788 8.4788 8.6746 8.6746 8.6824 8.6824 9.0181 9.0181 9.0305 9.0305 9.3192 9.3192 9.3326 9.3326 10.3852 10.3852 10.3859 10.3859 11.7440 11.7440 11.7491 11.7491 12.9650 12.9650 12.9861 12.9861 k = 0.0488 0.5000 0.3298 ( 7408 PWs) bands (ev): -67.5475 -67.5475 -67.5475 -67.5475 -37.3416 -37.3416 -37.3416 -37.3416 -36.1642 -36.1642 -36.1640 -36.1640 -36.1132 -36.1132 -36.1130 -36.1130 1.3795 1.3795 1.3802 1.3802 3.5686 3.5686 3.5699 3.5699 8.4374 8.4374 8.4548 8.4548 8.6607 8.6607 8.6701 8.6701 9.0106 9.0106 9.0257 9.0257 9.3201 9.3201 9.3380 9.3380 10.3893 10.3893 10.3902 10.3902 11.6777 11.6777 11.6826 11.6826 12.9725 12.9725 12.9963 12.9963 k = 0.0610 0.5000 0.3298 ( 7404 PWs) bands (ev): -67.5472 -67.5472 -67.5472 -67.5472 -37.3417 -37.3417 -37.3416 -37.3416 -36.1648 -36.1648 -36.1647 -36.1647 -36.1125 -36.1125 -36.1123 -36.1123 1.3884 1.3884 1.3892 1.3892 3.5809 3.5809 3.5825 3.5825 8.4032 8.4032 8.4237 8.4237 8.6472 8.6472 8.6583 8.6583 8.9998 8.9998 9.0171 9.0171 9.3241 9.3241 9.3461 9.3461 10.3949 10.3949 10.3959 10.3959 11.6032 11.6032 11.6072 11.6072 12.9748 12.9748 12.9989 12.9989 k = 0.0732 0.5000 0.3298 ( 7404 PWs) bands (ev): -67.5472 -67.5472 -67.5472 -67.5472 -37.3417 -37.3417 -37.3417 -37.3417 -36.1656 -36.1656 -36.1654 -36.1654 -36.1117 -36.1117 -36.1115 -36.1115 1.3992 1.3992 1.4002 1.4002 3.5959 3.5959 3.5979 3.5979 8.3613 8.3613 8.3840 8.3840 8.6313 8.6313 8.6443 8.6443 8.9851 8.9851 9.0045 9.0045 9.3296 9.3296 9.3553 9.3553 10.3998 10.3998 10.4010 10.4010 11.5242 11.5242 11.5266 11.5266 12.9671 12.9671 12.9896 12.9896 k = 0.0854 0.5000 0.3298 ( 7412 PWs) bands (ev): -67.5477 -67.5477 -67.5477 -67.5477 -37.3418 -37.3418 -37.3417 -37.3417 -36.1665 -36.1665 -36.1663 -36.1663 -36.1108 -36.1108 -36.1106 -36.1106 1.4120 1.4120 1.4132 1.4132 3.6136 3.6136 3.6159 3.6159 8.3122 8.3122 8.3363 8.3363 8.6121 8.6121 8.6275 8.6275 8.9662 8.9662 8.9878 8.9878 9.3350 9.3350 9.3638 9.3638 10.4048 10.4048 10.4061 10.4061 11.4437 11.4437 11.4442 11.4442 12.9482 12.9482 12.9680 12.9680 k = 0.0976 0.5000 0.3298 ( 7404 PWs) bands (ev): -67.5472 -67.5472 -67.5472 -67.5472 -37.3419 -37.3419 -37.3418 -37.3418 -36.1675 -36.1675 -36.1672 -36.1672 -36.1098 -36.1098 -36.1096 -36.1096 1.4267 1.4267 1.4280 1.4280 3.6341 3.6341 3.6367 3.6367 8.2587 8.2587 8.2836 8.2836 8.5921 8.5921 8.6098 8.6098 8.9479 8.9479 8.9717 8.9717 9.3442 9.3442 9.3753 9.3753 10.4071 10.4071 10.4085 10.4085 11.3633 11.3633 11.3651 11.3651 12.9241 12.9241 12.9408 12.9408 k = 0.1098 0.5000 0.3298 ( 7408 PWs) bands (ev): -67.5474 -67.5474 -67.5474 -67.5474 -37.3420 -37.3420 -37.3419 -37.3419 -36.1685 -36.1685 -36.1682 -36.1682 -36.1087 -36.1087 -36.1085 -36.1085 1.4432 1.4432 1.4447 1.4447 3.6573 3.6573 3.6603 3.6603 8.1978 8.1978 8.2229 8.2229 8.5653 8.5653 8.5854 8.5854 8.9279 8.9279 8.9540 8.9540 9.3520 9.3520 9.3847 9.3847 10.4099 10.4099 10.4113 10.4113 11.2840 11.2840 11.2882 11.2882 12.8911 12.8911 12.9047 12.9047 k = 0.1220 0.5000 0.3298 ( 7408 PWs) bands (ev): -67.5474 -67.5474 -67.5474 -67.5474 -37.3421 -37.3421 -37.3420 -37.3420 -36.1696 -36.1696 -36.1693 -36.1693 -36.1076 -36.1076 -36.1074 -36.1074 1.4616 1.4616 1.4633 1.4633 3.6833 3.6833 3.6866 3.6866 8.1323 8.1323 8.1571 8.1571 8.5331 8.5331 8.5553 8.5553 8.9093 8.9093 8.9375 8.9375 9.3595 9.3595 9.3932 9.3932 10.4129 10.4129 10.4142 10.4142 11.2099 11.2099 11.2164 11.2164 12.8534 12.8534 12.8640 12.8640 k = 0.1341 0.5000 0.3298 ( 7408 PWs) bands (ev): -67.5474 -67.5474 -67.5474 -67.5474 -37.3422 -37.3422 -37.3421 -37.3421 -36.1707 -36.1707 -36.1704 -36.1704 -36.1064 -36.1064 -36.1062 -36.1062 1.4818 1.4818 1.4836 1.4836 3.7120 3.7120 3.7156 3.7156 8.0625 8.0625 8.0866 8.0866 8.4952 8.4952 8.5188 8.5188 8.8930 8.8930 8.9227 8.9227 9.3653 9.3653 9.3992 9.3992 10.4138 10.4138 10.4150 10.4150 11.1406 11.1406 11.1493 11.1493 12.8141 12.8141 12.8221 12.8221 k = 0.1463 0.5000 0.3298 ( 7396 PWs) bands (ev): -67.5467 -67.5467 -67.5467 -67.5467 -37.3423 -37.3423 -37.3422 -37.3422 -36.1719 -36.1719 -36.1716 -36.1716 -36.1052 -36.1052 -36.1050 -36.1050 1.5038 1.5038 1.5058 1.5058 3.7434 3.7434 3.7474 3.7474 7.9886 7.9886 8.0119 8.0119 8.4521 8.4521 8.4764 8.4764 8.8800 8.8800 8.9108 8.9108 9.3709 9.3709 9.4046 9.4046 10.4166 10.4166 10.4177 10.4177 11.0794 11.0794 11.0902 11.0902 12.7754 12.7754 12.7811 12.7811 k = 0.1585 0.5000 0.3298 ( 7396 PWs) bands (ev): -67.5467 -67.5467 -67.5467 -67.5467 -37.3424 -37.3424 -37.3423 -37.3423 -36.1731 -36.1731 -36.1727 -36.1727 -36.1039 -36.1039 -36.1037 -36.1037 1.5274 1.5274 1.5295 1.5295 3.7774 3.7774 3.7818 3.7818 7.9100 7.9100 7.9323 7.9323 8.4018 8.4018 8.4263 8.4263 8.8686 8.8686 8.8999 8.8999 9.3731 9.3731 9.4059 9.4059 10.4159 10.4159 10.4168 10.4168 11.0234 11.0234 11.0360 11.0360 12.7352 12.7352 12.7389 12.7389 k = 0.1707 0.5000 0.3298 ( 7388 PWs) bands (ev): -67.5461 -67.5461 -67.5461 -67.5461 -37.3425 -37.3425 -37.3424 -37.3424 -36.1743 -36.1743 -36.1739 -36.1739 -36.1026 -36.1026 -36.1024 -36.1024 1.5526 1.5526 1.5549 1.5549 3.8141 3.8141 3.8188 3.8188 7.8281 7.8281 7.8493 7.8493 8.3461 8.3461 8.3704 8.3704 8.8597 8.8597 8.8913 8.8913 9.3746 9.3746 9.4059 9.4059 10.4157 10.4157 10.4163 10.4163 10.9766 10.9766 10.9908 10.9908 12.6974 12.6974 12.6994 12.6994 k = 0.1829 0.5000 0.3298 ( 7384 PWs) bands (ev): -67.5458 -67.5458 -67.5458 -67.5458 -37.3427 -37.3427 -37.3426 -37.3426 -36.1755 -36.1755 -36.1751 -36.1751 -36.1014 -36.1014 -36.1011 -36.1011 1.5794 1.5794 1.5818 1.5818 3.8535 3.8535 3.8586 3.8586 7.7434 7.7434 7.7634 7.7634 8.2857 8.2857 8.3093 8.3093 8.8512 8.8512 8.8827 8.8827 9.3713 9.3713 9.4007 9.4007 10.4151 10.4151 10.4152 10.4152 10.9347 10.9347 10.9501 10.9501 12.6629 12.6629 12.6634 12.6634 k = 0.1951 0.5000 0.3298 ( 7388 PWs) bands (ev): -67.5461 -67.5461 -67.5461 -67.5461 -37.3428 -37.3428 -37.3427 -37.3427 -36.1767 -36.1767 -36.1763 -36.1763 -36.1001 -36.1001 -36.0998 -36.0998 1.6076 1.6076 1.6101 1.6101 3.8955 3.8955 3.9009 3.9009 7.6551 7.6551 7.6739 7.6739 8.2185 8.2185 8.2413 8.2413 8.8438 8.8438 8.8750 8.8750 9.3671 9.3671 9.3942 9.3942 10.4121 10.4121 10.4124 10.4124 10.8974 10.8974 10.9136 10.9136 12.6291 12.6291 12.6297 12.6297 k = 0.2073 0.5000 0.3298 ( 7384 PWs) bands (ev): -67.5458 -67.5458 -67.5458 -67.5458 -37.3430 -37.3430 -37.3428 -37.3428 -36.1779 -36.1779 -36.1775 -36.1775 -36.0988 -36.0988 -36.0985 -36.0985 1.6372 1.6372 1.6398 1.6398 3.9402 3.9402 3.9459 3.9459 7.5647 7.5647 7.5824 7.5824 8.1468 8.1468 8.1687 8.1687 8.8369 8.8369 8.8679 8.8679 9.3627 9.3627 9.3870 9.3870 10.4100 10.4100 10.4109 10.4109 10.8673 10.8673 10.8841 10.8841 12.6023 12.6023 12.6039 12.6039 k = 0.2195 0.5000 0.3298 ( 7396 PWs) bands (ev): -67.5466 -67.5466 -67.5466 -67.5466 -37.3431 -37.3431 -37.3430 -37.3430 -36.1791 -36.1791 -36.1788 -36.1788 -36.0976 -36.0976 -36.0973 -36.0973 1.6681 1.6681 1.6708 1.6708 3.9874 3.9874 3.9935 3.9935 7.4714 7.4714 7.4879 7.4879 8.0693 8.0693 8.0902 8.0902 8.8293 8.8293 8.8601 8.8601 9.3571 9.3571 9.3784 9.3784 10.4032 10.4032 10.4045 10.4045 10.8406 10.8406 10.8576 10.8576 12.5755 12.5755 12.5779 12.5779 k = 0.2317 0.5000 0.3298 ( 7392 PWs) bands (ev): -67.5463 -67.5463 -67.5463 -67.5463 -37.3433 -37.3433 -37.3431 -37.3431 -36.1802 -36.1802 -36.1799 -36.1799 -36.0963 -36.0963 -36.0960 -36.0960 1.7001 1.7001 1.7029 1.7029 4.0372 4.0372 4.0436 4.0436 7.3780 7.3780 7.3934 7.3934 7.9901 7.9901 8.0100 8.0100 8.8209 8.8209 8.8512 8.8512 9.3514 9.3514 9.3698 9.3698 10.4005 10.4005 10.4022 10.4022 10.8206 10.8206 10.8375 10.8375 12.5581 12.5581 12.5611 12.5611 k = 0.2439 0.5000 0.3298 ( 7392 PWs) bands (ev): -67.5463 -67.5463 -67.5463 -67.5463 -37.3434 -37.3434 -37.3433 -37.3433 -36.1814 -36.1814 -36.1811 -36.1811 -36.0951 -36.0951 -36.0948 -36.0948 1.7332 1.7332 1.7361 1.7361 4.0895 4.0895 4.0963 4.0963 7.2836 7.2836 7.2980 7.2980 7.9071 7.9071 7.9260 7.9260 8.8120 8.8120 8.8417 8.8417 9.3453 9.3453 9.3607 9.3607 10.3964 10.3964 10.3985 10.3985 10.8056 10.8056 10.8221 10.8221 12.5407 12.5407 12.5441 12.5441 k = 0.2561 0.5000 0.3298 ( 7400 PWs) bands (ev): -67.5469 -67.5469 -67.5469 -67.5469 -37.3436 -37.3436 -37.3435 -37.3435 -36.1825 -36.1825 -36.1822 -36.1822 -36.0939 -36.0939 -36.0936 -36.0936 1.7672 1.7672 1.7701 1.7701 4.1443 4.1443 4.1515 4.1515 7.1882 7.1882 7.2017 7.2017 7.8200 7.8200 7.8379 7.8379 8.8013 8.8013 8.8303 8.8303 9.3388 9.3388 9.3515 9.3515 10.3919 10.3919 10.3944 10.3944 10.7934 10.7934 10.8093 10.8093 12.5257 12.5257 12.5295 12.5295 k = 0.2683 0.5000 0.3298 ( 7400 PWs) bands (ev): -67.5469 -67.5469 -67.5469 -67.5469 -37.3437 -37.3437 -37.3436 -37.3436 -36.1836 -36.1836 -36.1833 -36.1833 -36.0927 -36.0927 -36.0925 -36.0925 1.8020 1.8020 1.8050 1.8050 4.2016 4.2016 4.2092 4.2092 7.0933 7.0933 7.1061 7.1061 7.7307 7.7307 7.7475 7.7475 8.7904 8.7904 8.8184 8.8184 9.3326 9.3326 9.3428 9.3428 10.3894 10.3894 10.3921 10.3921 10.7875 10.7875 10.8026 10.8026 12.5146 12.5146 12.5187 12.5187 k = 0.2805 0.5000 0.3298 ( 7400 PWs) bands (ev): -67.5469 -67.5469 -67.5469 -67.5469 -37.3439 -37.3439 -37.3438 -37.3438 -36.1846 -36.1846 -36.1843 -36.1843 -36.0916 -36.0916 -36.0914 -36.0914 1.8373 1.8373 1.8404 1.8404 4.2614 4.2614 4.2694 4.2694 6.9993 6.9993 7.0113 7.0113 7.6387 7.6387 7.6546 7.6546 8.7786 8.7786 8.8054 8.8054 9.3279 9.3279 9.3359 9.3359 10.3837 10.3837 10.3864 10.3864 10.7848 10.7848 10.7989 10.7989 12.5102 12.5102 12.5144 12.5144 k = 0.2927 0.5000 0.3298 ( 7388 PWs) bands (ev): -67.5461 -67.5461 -67.5461 -67.5461 -37.3440 -37.3440 -37.3439 -37.3439 -36.1856 -36.1856 -36.1853 -36.1853 -36.0905 -36.0905 -36.0902 -36.0902 1.8731 1.8731 1.8762 1.8762 4.3235 4.3235 4.3320 4.3320 6.9060 6.9060 6.9175 6.9175 7.5444 7.5444 7.5593 7.5593 8.7660 8.7660 8.7915 8.7915 9.3258 9.3258 9.3319 9.3319 10.3850 10.3850 10.3877 10.3877 10.7909 10.7909 10.8039 10.8039 12.5052 12.5052 12.5095 12.5095 k = 0.3049 0.5000 0.3298 ( 7396 PWs) bands (ev): -67.5466 -67.5466 -67.5466 -67.5466 -37.3441 -37.3441 -37.3440 -37.3440 -36.1866 -36.1866 -36.1863 -36.1863 -36.0894 -36.0894 -36.0892 -36.0892 1.9091 1.9091 1.9121 1.9121 4.3880 4.3880 4.3968 4.3968 6.8139 6.8139 6.8250 6.8250 7.4475 7.4475 7.4614 7.4614 8.7524 8.7524 8.7765 8.7765 9.3226 9.3226 9.3271 9.3271 10.3781 10.3781 10.3806 10.3806 10.7939 10.7939 10.8058 10.8058 12.5018 12.5018 12.5060 12.5060 k = 0.3171 0.5000 0.3298 ( 7400 PWs) bands (ev): -67.5469 -67.5469 -67.5469 -67.5469 -37.3443 -37.3443 -37.3442 -37.3442 -36.1875 -36.1875 -36.1872 -36.1872 -36.0885 -36.0885 -36.0882 -36.0882 1.9451 1.9451 1.9481 1.9481 4.4548 4.4548 4.4641 4.4641 6.7240 6.7240 6.7347 6.7347 7.3494 7.3494 7.3623 7.3623 8.7391 8.7391 8.7617 8.7617 9.3199 9.3199 9.3231 9.3231 10.3750 10.3750 10.3774 10.3774 10.7971 10.7971 10.8078 10.8078 12.5004 12.5004 12.5046 12.5046 k = 0.3293 0.5000 0.3298 ( 7396 PWs) bands (ev): -67.5466 -67.5466 -67.5466 -67.5466 -37.3444 -37.3444 -37.3443 -37.3443 -36.1884 -36.1884 -36.1881 -36.1881 -36.0875 -36.0875 -36.0873 -36.0873 1.9808 1.9808 1.9838 1.9838 4.5240 4.5240 4.5337 4.5337 6.6367 6.6367 6.6473 6.6473 7.2503 7.2503 7.2623 7.2623 8.7254 8.7254 8.7464 8.7464 9.3161 9.3161 9.3183 9.3183 10.3728 10.3728 10.3749 10.3749 10.8080 10.8080 10.8176 10.8176 12.5051 12.5051 12.5092 12.5092 k = 0.3415 0.5000 0.3298 ( 7400 PWs) bands (ev): -67.5469 -67.5469 -67.5469 -67.5469 -37.3445 -37.3445 -37.3444 -37.3444 -36.1892 -36.1892 -36.1889 -36.1889 -36.0866 -36.0866 -36.0864 -36.0864 2.0161 2.0161 2.0191 2.0191 4.5953 4.5953 4.6055 4.6055 6.5519 6.5519 6.5624 6.5624 7.1501 7.1501 7.1611 7.1611 8.7122 8.7122 8.7315 8.7315 9.3140 9.3140 9.3153 9.3153 10.3712 10.3712 10.3731 10.3731 10.8145 10.8145 10.8230 10.8230 12.5059 12.5059 12.5098 12.5098 k = 0.3537 0.5000 0.3298 ( 7404 PWs) bands (ev): -67.5471 -67.5471 -67.5471 -67.5471 -37.3447 -37.3447 -37.3446 -37.3446 -36.1900 -36.1900 -36.1897 -36.1897 -36.0858 -36.0858 -36.0856 -36.0856 2.0506 2.0506 2.0535 2.0535 4.6687 4.6687 4.6794 4.6794 6.4700 6.4700 6.4807 6.4807 7.0492 7.0492 7.0593 7.0593 8.6993 8.6993 8.7170 8.7170 9.3129 9.3129 9.3136 9.3136 10.3690 10.3690 10.3707 10.3707 10.8233 10.8233 10.8307 10.8307 12.5071 12.5071 12.5108 12.5108 k = 0.3659 0.5000 0.3298 ( 7404 PWs) bands (ev): -67.5471 -67.5471 -67.5471 -67.5471 -37.3448 -37.3448 -37.3447 -37.3447 -36.1907 -36.1907 -36.1904 -36.1904 -36.0850 -36.0850 -36.0848 -36.0848 2.0841 2.0841 2.0869 2.0869 4.7441 4.7441 4.7553 4.7553 6.3917 6.3917 6.4027 6.4027 6.9485 6.9485 6.9575 6.9575 8.6864 8.6864 8.7025 8.7025 9.3121 9.3121 9.3124 9.3124 10.3688 10.3688 10.3702 10.3702 10.8351 10.8351 10.8416 10.8416 12.5108 12.5108 12.5143 12.5143 k = 0.3780 0.5000 0.3298 ( 7388 PWs) bands (ev): -67.5460 -67.5460 -67.5460 -67.5460 -37.3449 -37.3449 -37.3448 -37.3448 -36.1913 -36.1913 -36.1911 -36.1911 -36.0843 -36.0843 -36.0840 -36.0840 2.1163 2.1163 2.1189 2.1189 4.8216 4.8216 4.8334 4.8334 6.3172 6.3172 6.3288 6.3288 6.8487 6.8487 6.8565 6.8565 8.6757 8.6757 8.6901 8.6901 9.3158 9.3158 9.3158 9.3158 10.3729 10.3729 10.3741 10.3741 10.8480 10.8480 10.8536 10.8536 12.5172 12.5172 12.5205 12.5205 k = 0.3902 0.5000 0.3298 ( 7388 PWs) bands (ev): -67.5460 -67.5460 -67.5460 -67.5460 -37.3450 -37.3450 -37.3449 -37.3449 -36.1919 -36.1919 -36.1917 -36.1917 -36.0836 -36.0836 -36.0834 -36.0834 2.1467 2.1467 2.1492 2.1492 4.9010 4.9010 4.9134 4.9134 6.2468 6.2468 6.2592 6.2592 6.7500 6.7500 6.7566 6.7566 8.6650 8.6650 8.6779 8.6779 9.3139 9.3139 9.3142 9.3142 10.3755 10.3755 10.3765 10.3765 10.8535 10.8535 10.8584 10.8584 12.5245 12.5245 12.5275 12.5275 k = 0.4024 0.5000 0.3298 ( 7388 PWs) bands (ev): -67.5460 -67.5460 -67.5460 -67.5460 -37.3451 -37.3451 -37.3450 -37.3450 -36.1924 -36.1924 -36.1922 -36.1922 -36.0830 -36.0830 -36.0828 -36.0828 2.1752 2.1752 2.1775 2.1775 4.9821 4.9821 4.9950 4.9950 6.1799 6.1799 6.1933 6.1933 6.6530 6.6530 6.6583 6.6583 8.6551 8.6551 8.6664 8.6664 9.3133 9.3133 9.3136 9.3136 10.3750 10.3750 10.3758 10.3758 10.8638 10.8638 10.8679 10.8679 12.5307 12.5307 12.5334 12.5334 k = 0.4146 0.5000 0.3298 ( 7384 PWs) bands (ev): -67.5457 -67.5457 -67.5457 -67.5457 -37.3451 -37.3451 -37.3451 -37.3451 -36.1929 -36.1929 -36.1927 -36.1927 -36.0825 -36.0825 -36.0823 -36.0823 2.2014 2.2014 2.2034 2.2034 5.0647 5.0647 5.0783 5.0783 6.1166 6.1166 6.1313 6.1313 6.5591 6.5591 6.5628 6.5628 8.6469 8.6469 8.6567 8.6567 9.3130 9.3130 9.3134 9.3134 10.3768 10.3768 10.3775 10.3775 10.8740 10.8740 10.8774 10.8774 12.5360 12.5360 12.5384 12.5384 k = 0.4268 0.5000 0.3298 ( 7380 PWs) bands (ev): -67.5454 -67.5454 -67.5454 -67.5454 -37.3452 -37.3452 -37.3451 -37.3451 -36.1933 -36.1933 -36.1931 -36.1931 -36.0820 -36.0820 -36.0818 -36.0818 2.2248 2.2248 2.2267 2.2267 5.1486 5.1486 5.1630 5.1630 6.0561 6.0561 6.0723 6.0723 6.4696 6.4696 6.4716 6.4716 8.6392 8.6392 8.6474 8.6474 9.3136 9.3136 9.3141 9.3141 10.3806 10.3806 10.3812 10.3812 10.8818 10.8818 10.8846 10.8846 12.5408 12.5408 12.5429 12.5429 k = 0.4390 0.5000 0.3298 ( 7368 PWs) bands (ev): -67.5446 -67.5446 -67.5446 -67.5446 -37.3452 -37.3452 -37.3452 -37.3452 -36.1936 -36.1936 -36.1934 -36.1934 -36.0816 -36.0816 -36.0814 -36.0814 2.2454 2.2454 2.2470 2.2470 5.2337 5.2337 5.2489 5.2489 5.9972 5.9972 6.0153 6.0153 6.3865 6.3865 6.3868 6.3868 8.6330 8.6330 8.6399 8.6399 9.3163 9.3163 9.3167 9.3167 10.3837 10.3837 10.3841 10.3841 10.8918 10.8918 10.8940 10.8940 12.5483 12.5483 12.5501 12.5501 k = 0.4512 0.5000 0.3298 ( 7368 PWs) bands (ev): -67.5445 -67.5445 -67.5445 -67.5445 -37.3453 -37.3453 -37.3452 -37.3452 -36.1939 -36.1939 -36.1937 -36.1937 -36.0813 -36.0813 -36.0811 -36.0811 2.2626 2.2626 2.2639 2.2639 5.3193 5.3193 5.3355 5.3355 5.9378 5.9378 5.9577 5.9577 6.3112 6.3112 6.3125 6.3125 8.6266 8.6266 8.6320 8.6320 9.3166 9.3166 9.3170 9.3170 10.3855 10.3855 10.3858 10.3858 10.8991 10.8991 10.9008 10.9008 12.5521 12.5521 12.5535 12.5535 k = 0.4634 0.5000 0.3298 ( 7364 PWs) bands (ev): -67.5442 -67.5442 -67.5442 -67.5442 -37.3453 -37.3453 -37.3453 -37.3453 -36.1942 -36.1942 -36.1940 -36.1940 -36.0810 -36.0810 -36.0808 -36.0808 2.2763 2.2763 2.2773 2.2773 5.4052 5.4052 5.4223 5.4223 5.8757 5.8757 5.8969 5.8969 6.2487 6.2487 6.2510 6.2510 8.6217 8.6217 8.6257 8.6257 9.3193 9.3193 9.3196 9.3196 10.3873 10.3873 10.3875 10.3875 10.9044 10.9044 10.9057 10.9057 12.5569 12.5569 12.5580 12.5580 k = 0.4756 0.5000 0.3298 ( 7372 PWs) bands (ev): -67.5447 -67.5447 -67.5447 -67.5447 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0808 -36.0808 -36.0806 -36.0806 2.2862 2.2862 2.2868 2.2868 5.4906 5.4906 5.5088 5.5088 5.8086 5.8086 5.8304 5.8304 6.2025 6.2025 6.2048 6.2048 8.6157 8.6157 8.6184 8.6184 9.3192 9.3192 9.3194 9.3194 10.3905 10.3905 10.3906 10.3906 10.9045 10.9045 10.9053 10.9053 12.5591 12.5591 12.5598 12.5598 k = 0.4878 0.5000 0.3298 ( 7372 PWs) bands (ev): -67.5447 -67.5447 -67.5447 -67.5447 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1943 -36.1943 -36.0808 -36.0808 -36.0805 -36.0805 2.2924 2.2924 2.2927 2.2927 5.5747 5.5747 5.5939 5.5939 5.7365 5.7365 5.7578 5.7578 6.1749 6.1749 6.1763 6.1763 8.6147 8.6147 8.6161 8.6161 9.3170 9.3170 9.3171 9.3171 10.3915 10.3915 10.3916 10.3916 10.9066 10.9066 10.9070 10.9070 12.5622 12.5622 12.5626 12.5626 k = 0.5000 0.5000 0.3298 ( 7352 PWs) bands (ev): -67.5434 -67.5434 -67.5434 -67.5434 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2947 2.2947 2.2948 2.2948 5.6529 5.6529 5.6529 5.6529 5.6840 5.6840 5.6840 5.6840 6.1662 6.1662 6.1662 6.1662 8.6189 8.6189 8.6189 8.6189 9.3174 9.3174 9.3175 9.3175 10.3943 10.3943 10.3943 10.3943 10.9091 10.9091 10.9091 10.9091 12.5695 12.5695 12.5695 12.5695 k = 0.5000 0.5000 0.3298 ( 7352 PWs) bands (ev): -67.5434 -67.5434 -67.5434 -67.5434 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2947 2.2947 2.2948 2.2948 5.6529 5.6529 5.6529 5.6529 5.6840 5.6840 5.6840 5.6840 6.1662 6.1662 6.1662 6.1662 8.6189 8.6189 8.6189 8.6189 9.3174 9.3174 9.3175 9.3175 10.3943 10.3943 10.3943 10.3943 10.9091 10.9091 10.9091 10.9091 12.5695 12.5695 12.5695 12.5695 k = 0.4912 0.4912 0.3298 ( 7372 PWs) bands (ev): -67.5450 -67.5450 -67.5444 -67.5444 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1943 -36.1943 -36.0808 -36.0808 -36.0805 -36.0805 2.2917 2.2917 2.2933 2.2933 5.5513 5.5513 5.6556 5.6556 5.6689 5.6689 5.7878 5.7878 6.1672 6.1672 6.1842 6.1842 8.6153 8.6153 8.6174 8.6174 9.3157 9.3157 9.3183 9.3183 10.3881 10.3881 10.3896 10.3896 10.9065 10.9065 10.9072 10.9072 12.5613 12.5613 12.5652 12.5652 k = 0.4825 0.4825 0.3298 ( 7364 PWs) bands (ev): -67.5445 -67.5445 -67.5439 -67.5439 -37.3454 -37.3454 -37.3452 -37.3452 -36.1943 -36.1943 -36.1942 -36.1942 -36.0810 -36.0810 -36.0805 -36.0805 2.2834 2.2834 2.2892 2.2892 5.4417 5.4417 5.6236 5.6236 5.6720 5.6720 5.9079 5.9079 6.1702 6.1702 6.2332 6.2332 8.6178 8.6178 8.6209 8.6209 9.3146 9.3146 9.3228 9.3228 10.3917 10.3917 10.3947 10.3947 10.9019 10.9019 10.9062 10.9062 12.5571 12.5571 12.5658 12.5658 k = 0.4737 0.4737 0.3298 ( 7352 PWs) bands (ev): -67.5439 -67.5439 -67.5431 -67.5431 -37.3455 -37.3455 -37.3451 -37.3451 -36.1941 -36.1941 -36.1939 -36.1939 -36.0814 -36.0814 -36.0804 -36.0804 2.2696 2.2696 2.2823 2.2823 5.3361 5.3361 5.5780 5.5780 5.6797 5.6797 6.0308 6.0308 6.1757 6.1757 6.3041 6.3041 8.6211 8.6211 8.6286 8.6286 9.3165 9.3165 9.3243 9.3243 10.3846 10.3846 10.4016 10.4016 10.9021 10.9021 10.9078 10.9078 12.5544 12.5544 12.5662 12.5662 k = 0.4649 0.4649 0.3298 ( 7368 PWs) bands (ev): -67.5449 -67.5449 -67.5442 -67.5442 -37.3457 -37.3457 -37.3448 -37.3448 -36.1941 -36.1941 -36.1936 -36.1936 -36.0820 -36.0820 -36.0804 -36.0804 2.2502 2.2502 2.2725 2.2725 5.2351 5.2351 5.5274 5.5274 5.6901 5.6901 6.1489 6.1489 6.1902 6.1902 6.3891 6.3891 8.6240 8.6240 8.6344 8.6344 9.3054 9.3054 9.3283 9.3283 10.3713 10.3713 10.4007 10.4007 10.8953 10.8953 10.9052 10.9052 12.5448 12.5448 12.5606 12.5606 k = 0.4561 0.4561 0.3298 ( 7368 PWs) bands (ev): -67.5459 -67.5459 -67.5433 -67.5433 -37.3459 -37.3459 -37.3445 -37.3445 -36.1940 -36.1940 -36.1931 -36.1931 -36.0827 -36.0827 -36.0803 -36.0803 2.2257 2.2257 2.2597 2.2597 5.1396 5.1396 5.4765 5.4765 5.7040 5.7040 6.1848 6.1848 6.2908 6.2908 6.4839 6.4839 8.6278 8.6278 8.6443 8.6443 9.2970 9.2970 9.3375 9.3375 10.3582 10.3582 10.4103 10.4103 10.8807 10.8807 10.9090 10.9090 12.5407 12.5407 12.5543 12.5543 k = 0.4474 0.4474 0.3298 ( 7372 PWs) bands (ev): -67.5458 -67.5458 -67.5440 -67.5440 -37.3461 -37.3461 -37.3442 -37.3442 -36.1938 -36.1938 -36.1925 -36.1925 -36.0836 -36.0836 -36.0802 -36.0802 2.1959 2.1959 2.2437 2.2437 5.0499 5.0499 5.4276 5.4276 5.7215 5.7215 6.1964 6.1964 6.4189 6.4189 6.5852 6.5852 8.6328 8.6328 8.6529 8.6529 9.2867 9.2867 9.3472 9.3472 10.3496 10.3496 10.4156 10.4156 10.8725 10.8725 10.9033 10.9033 12.5342 12.5342 12.5498 12.5498 k = 0.4386 0.4386 0.3298 ( 7386 PWs) bands (ev): -67.5472 -67.5472 -67.5444 -67.5444 -37.3464 -37.3464 -37.3438 -37.3438 -36.1937 -36.1937 -36.1919 -36.1919 -36.0846 -36.0846 -36.0802 -36.0802 2.1614 2.1614 2.2242 2.2242 4.9662 4.9662 5.3821 5.3821 5.7422 5.7422 6.2085 6.2085 6.5487 6.5487 6.6916 6.6916 8.6371 8.6371 8.6647 8.6647 9.2748 9.2748 9.3606 9.3606 10.3332 10.3332 10.4246 10.4246 10.8474 10.8474 10.8996 10.8996 12.5235 12.5235 12.5436 12.5436 k = 0.4298 0.4298 0.3298 ( 7394 PWs) bands (ev): -67.5471 -67.5471 -67.5456 -67.5456 -37.3467 -37.3467 -37.3434 -37.3434 -36.1935 -36.1935 -36.1911 -36.1911 -36.0858 -36.0858 -36.0801 -36.0801 2.1222 2.1222 2.2012 2.2012 4.8895 4.8895 5.3408 5.3408 5.7660 5.7660 6.2222 6.2222 6.6796 6.6796 6.8013 6.8013 8.6434 8.6434 8.6772 8.6772 9.2560 9.2560 9.3769 9.3769 10.3182 10.3182 10.4324 10.4324 10.8348 10.8348 10.8939 10.8939 12.5156 12.5156 12.5424 12.5424 k = 0.4211 0.4211 0.3298 ( 7388 PWs) bands (ev): -67.5460 -67.5460 -67.5459 -67.5459 -37.3470 -37.3470 -37.3428 -37.3428 -36.1932 -36.1932 -36.1902 -36.1902 -36.0870 -36.0870 -36.0800 -36.0800 2.0789 2.0789 2.1746 2.1746 4.8200 4.8200 5.3041 5.3041 5.7933 5.7933 6.2374 6.2374 6.8110 6.8110 6.9139 6.9139 8.6520 8.6520 8.6941 8.6941 9.2388 9.2388 9.3964 9.3964 10.3006 10.3006 10.4435 10.4435 10.8297 10.8297 10.8875 10.8875 12.5101 12.5101 12.5458 12.5458 k = 0.4123 0.4123 0.3298 ( 7380 PWs) bands (ev): -67.5457 -67.5457 -67.5452 -67.5452 -37.3474 -37.3474 -37.3423 -37.3423 -36.1930 -36.1930 -36.1893 -36.1893 -36.0885 -36.0885 -36.0799 -36.0799 2.0316 2.0316 2.1442 2.1442 4.7580 4.7580 5.2721 5.2721 5.8235 5.8235 6.2543 6.2543 6.9417 6.9417 7.0280 7.0280 8.6620 8.6620 8.7130 8.7130 9.2252 9.2252 9.4160 9.4160 10.2820 10.2820 10.4603 10.4603 10.8178 10.8178 10.8845 10.8845 12.5053 12.5053 12.5456 12.5456 k = 0.4035 0.4035 0.3298 ( 7378 PWs) bands (ev): -67.5462 -67.5462 -67.5445 -67.5445 -37.3478 -37.3478 -37.3416 -37.3416 -36.1927 -36.1927 -36.1883 -36.1883 -36.0900 -36.0900 -36.0797 -36.0797 1.9808 1.9808 2.1098 2.1098 4.7034 4.7034 5.2450 5.2450 5.8570 5.8570 6.2727 6.2727 7.0709 7.0709 7.1426 7.1426 8.6709 8.6709 8.7342 8.7342 9.2098 9.2098 9.4394 9.4394 10.2648 10.2648 10.4746 10.4746 10.8026 10.8026 10.8789 10.8789 12.4986 12.4986 12.5443 12.5443 k = 0.3947 0.3947 0.3298 ( 7378 PWs) bands (ev): -67.5464 -67.5464 -67.5444 -67.5444 -37.3482 -37.3482 -37.3410 -37.3410 -36.1924 -36.1924 -36.1871 -36.1871 -36.0917 -36.0917 -36.0796 -36.0796 1.9268 1.9268 2.0713 2.0713 4.6566 4.6566 5.2226 5.2226 5.8933 5.8933 6.2927 6.2927 7.1990 7.1990 7.2572 7.2572 8.6768 8.6768 8.7588 8.7588 9.1939 9.1939 9.4635 9.4635 10.2501 10.2501 10.4852 10.4852 10.7845 10.7845 10.8759 10.8759 12.4992 12.4992 12.5409 12.5409 k = 0.3860 0.3860 0.3298 ( 7376 PWs) bands (ev): -67.5464 -67.5464 -67.5441 -67.5441 -37.3487 -37.3487 -37.3402 -37.3402 -36.1921 -36.1921 -36.1859 -36.1859 -36.0935 -36.0935 -36.0793 -36.0793 1.8699 1.8699 2.0289 2.0289 4.6177 4.6177 5.2047 5.2047 5.9326 5.9326 6.3141 6.3141 7.3250 7.3250 7.3709 7.3709 8.6818 8.6818 8.7869 8.7869 9.1791 9.1791 9.4919 9.4919 10.2287 10.2287 10.5002 10.5002 10.7693 10.7693 10.8711 10.8711 12.5014 12.5014 12.5395 12.5395 k = 0.3772 0.3772 0.3298 ( 7376 PWs) bands (ev): -67.5467 -67.5467 -67.5439 -67.5439 -37.3492 -37.3492 -37.3395 -37.3395 -36.1918 -36.1918 -36.1847 -36.1847 -36.0954 -36.0954 -36.0791 -36.0791 1.8106 1.8106 1.9828 1.9828 4.5867 4.5867 5.1913 5.1913 5.9748 5.9748 6.3371 6.3371 7.4488 7.4488 7.4815 7.4815 8.6847 8.6847 8.8165 8.8165 9.1630 9.1630 9.5201 9.5201 10.2078 10.2078 10.5206 10.5206 10.7576 10.7576 10.8629 10.8629 12.5096 12.5096 12.5373 12.5373 k = 0.3684 0.3684 0.3298 ( 7378 PWs) bands (ev): -67.5472 -67.5472 -67.5437 -67.5437 -37.3498 -37.3498 -37.3386 -37.3386 -36.1914 -36.1914 -36.1834 -36.1834 -36.0974 -36.0974 -36.0789 -36.0789 1.7491 1.7491 1.9329 1.9329 4.5632 4.5632 5.1822 5.1822 6.0202 6.0202 6.3614 6.3614 7.5670 7.5670 7.5895 7.5895 8.6845 8.6845 8.8506 8.8506 9.1513 9.1513 9.5516 9.5516 10.1922 10.1922 10.5384 10.5384 10.7426 10.7426 10.8557 10.8557 12.5146 12.5146 12.5352 12.5352 k = 0.3596 0.3596 0.3298 ( 7370 PWs) bands (ev): -67.5470 -67.5470 -67.5429 -67.5429 -37.3504 -37.3504 -37.3378 -37.3378 -36.1911 -36.1911 -36.1820 -36.1820 -36.0995 -36.0995 -36.0785 -36.0785 1.6860 1.6860 1.8797 1.8797 4.5478 4.5478 5.1771 5.1771 6.0685 6.0685 6.3872 6.3872 7.6826 7.6826 7.6939 7.6939 8.6830 8.6830 8.8884 8.8884 9.1420 9.1420 9.5827 9.5827 10.1787 10.1787 10.5582 10.5582 10.7335 10.7335 10.8489 10.8489 12.5313 12.5313 12.5355 12.5355 k = 0.3509 0.3509 0.3298 ( 7384 PWs) bands (ev): -67.5481 -67.5481 -67.5437 -67.5437 -37.3510 -37.3510 -37.3369 -37.3369 -36.1907 -36.1907 -36.1806 -36.1806 -36.1018 -36.1018 -36.0782 -36.0782 1.6214 1.6214 1.8234 1.8234 4.5394 4.5394 5.1757 5.1757 6.1197 6.1197 6.4139 6.4139 7.7917 7.7917 7.7922 7.7922 8.6764 8.6764 8.9282 8.9282 9.1336 9.1336 9.6127 9.6127 10.1658 10.1658 10.5714 10.5714 10.7155 10.7155 10.8409 10.8409 12.5292 12.5292 12.5525 12.5525 k = 0.3421 0.3421 0.3298 ( 7388 PWs) bands (ev): -67.5489 -67.5489 -67.5434 -67.5434 -37.3516 -37.3516 -37.3360 -37.3360 -36.1903 -36.1903 -36.1792 -36.1792 -36.1041 -36.1041 -36.0779 -36.0779 1.5558 1.5558 1.7644 1.7644 4.5384 4.5384 5.1779 5.1779 6.1737 6.1737 6.4419 6.4419 7.8835 7.8835 7.8948 7.8948 8.6679 8.6679 8.9710 8.9710 9.1307 9.1307 9.6470 9.6470 10.1578 10.1578 10.5885 10.5885 10.7051 10.7051 10.8329 10.8329 12.5258 12.5258 12.5775 12.5775 k = 0.3333 0.3333 0.3298 ( 7388 PWs) bands (ev): -67.5492 -67.5492 -67.5431 -67.5431 -37.3523 -37.3523 -37.3351 -37.3351 -36.1899 -36.1899 -36.1777 -36.1777 -36.1064 -36.1064 -36.0775 -36.0775 1.4894 1.4894 1.7030 1.7030 4.5443 4.5443 5.1834 5.1834 6.2306 6.2306 6.4710 6.4710 7.9685 7.9685 7.9926 7.9926 8.6561 8.6561 9.0159 9.0159 9.1320 9.1320 9.6826 9.6826 10.1538 10.1538 10.6028 10.6028 10.6998 10.6998 10.8247 10.8247 12.5221 12.5221 12.6154 12.6154 k = 0.3246 0.3246 0.3298 ( 7400 PWs) bands (ev): -67.5501 -67.5501 -67.5438 -67.5438 -37.3530 -37.3530 -37.3341 -37.3341 -36.1895 -36.1895 -36.1762 -36.1762 -36.1090 -36.1090 -36.0770 -36.0770 1.4225 1.4225 1.6397 1.6397 4.5567 4.5567 5.1919 5.1919 6.2902 6.2902 6.5008 6.5008 8.0457 8.0457 8.0826 8.0826 8.6411 8.6411 9.0606 9.0606 9.1376 9.1376 9.7153 9.7153 10.1518 10.1518 10.6087 10.6087 10.6995 10.6995 10.8120 10.8120 12.5168 12.5168 12.6607 12.6607 k = 0.3158 0.3158 0.3298 ( 7400 PWs) bands (ev): -67.5499 -67.5499 -67.5440 -67.5440 -37.3538 -37.3538 -37.3331 -37.3331 -36.1890 -36.1890 -36.1747 -36.1747 -36.1115 -36.1115 -36.0765 -36.0765 1.3554 1.3554 1.5749 1.5749 4.5754 4.5754 5.2033 5.2033 6.3525 6.3525 6.5316 6.5316 8.1165 8.1165 8.1638 8.1638 8.6251 8.6251 9.1026 9.1026 9.1504 9.1504 9.7496 9.7496 10.1567 10.1567 10.6098 10.6098 10.7126 10.7126 10.8076 10.8076 12.5119 12.5119 12.7162 12.7162 k = 0.3070 0.3070 0.3298 ( 7408 PWs) bands (ev): -67.5507 -67.5507 -67.5442 -67.5442 -37.3545 -37.3545 -37.3321 -37.3321 -36.1886 -36.1886 -36.1732 -36.1732 -36.1141 -36.1141 -36.0759 -36.0759 1.2883 1.2883 1.5088 1.5088 4.6000 4.6000 5.2171 5.2171 6.4175 6.4175 6.5632 6.5632 8.1793 8.1793 8.2331 8.2331 8.6090 8.6090 9.1343 9.1343 9.1736 9.1736 9.7868 9.7868 10.1661 10.1661 10.6056 10.6056 10.7281 10.7281 10.7996 10.7996 12.5070 12.5070 12.7785 12.7785 k = 0.2982 0.2982 0.3298 ( 7402 PWs) bands (ev): -67.5508 -67.5508 -67.5433 -67.5433 -37.3553 -37.3553 -37.3311 -37.3311 -36.1881 -36.1881 -36.1717 -36.1717 -36.1167 -36.1167 -36.0753 -36.0753 1.2215 1.2215 1.4419 1.4419 4.6301 4.6301 5.2336 5.2336 6.4851 6.4851 6.5955 6.5955 8.2364 8.2364 8.2901 8.2901 8.5969 8.5969 9.1559 9.1559 9.2073 9.2073 9.8313 9.8313 10.1860 10.1860 10.6017 10.6017 10.7479 10.7479 10.7955 10.7955 12.5030 12.5030 12.8515 12.8515 k = 0.2895 0.2895 0.3298 ( 7414 PWs) bands (ev): -67.5511 -67.5511 -67.5445 -67.5445 -37.3561 -37.3561 -37.3301 -37.3301 -36.1877 -36.1877 -36.1702 -36.1702 -36.1194 -36.1194 -36.0746 -36.0746 1.1552 1.1552 1.3745 1.3745 4.6651 4.6651 5.2520 5.2520 6.5552 6.5552 6.6277 6.6277 8.2874 8.2874 8.3273 8.3273 8.5929 8.5929 9.1728 9.1728 9.2401 9.2401 9.8708 9.8708 10.2094 10.2094 10.5888 10.5888 10.7585 10.7585 10.8005 10.8005 12.4953 12.4953 12.9302 12.9302 k = 0.2807 0.2807 0.3298 ( 7430 PWs) bands (ev): -67.5525 -67.5525 -67.5452 -67.5452 -37.3569 -37.3569 -37.3290 -37.3290 -36.1872 -36.1872 -36.1687 -36.1687 -36.1221 -36.1221 -36.0740 -36.0740 1.0896 1.0896 1.3069 1.3069 4.7052 4.7052 5.2724 5.2724 6.6274 6.6274 6.6607 6.6607 8.3308 8.3308 8.3429 8.3429 8.6012 8.6012 9.1909 9.1909 9.2696 9.2696 9.9083 9.9083 10.2407 10.2407 10.5796 10.5796 10.7483 10.7483 10.8189 10.8189 12.4865 12.4865 13.0091 13.0091 k = 0.2719 0.2719 0.3298 ( 7426 PWs) bands (ev): -67.5529 -67.5529 -67.5444 -67.5444 -37.3577 -37.3577 -37.3280 -37.3280 -36.1868 -36.1868 -36.1672 -36.1672 -36.1248 -36.1248 -36.0732 -36.0732 1.0248 1.0248 1.2394 1.2394 4.7501 4.7501 5.2950 5.2950 6.6909 6.6909 6.7057 6.7057 8.3341 8.3341 8.3768 8.3768 8.6236 8.6236 9.2101 9.2101 9.2953 9.2953 9.9516 9.9516 10.2791 10.2791 10.5795 10.5795 10.7407 10.7407 10.8412 10.8412 12.4802 12.4802 13.0731 13.0731 k = 0.2632 0.2632 0.3298 ( 7436 PWs) bands (ev): -67.5545 -67.5545 -67.5440 -67.5440 -37.3586 -37.3586 -37.3270 -37.3270 -36.1863 -36.1863 -36.1658 -36.1658 -36.1275 -36.1275 -36.0724 -36.0724 0.9610 0.9610 1.1723 1.1723 4.7993 4.7993 5.3189 5.3189 6.7259 6.7259 6.7816 6.7816 8.3136 8.3136 8.4128 8.4128 8.6493 8.6493 9.2292 9.2292 9.3148 9.3148 9.9930 9.9930 10.3187 10.3187 10.5807 10.5807 10.7260 10.7260 10.8632 10.8632 12.4732 12.4732 13.0877 13.0877 k = 0.2544 0.2544 0.3298 ( 7428 PWs) bands (ev): -67.5549 -67.5549 -67.5426 -67.5426 -37.3594 -37.3594 -37.3259 -37.3259 -36.1858 -36.1858 -36.1644 -36.1644 -36.1302 -36.1302 -36.0715 -36.0715 0.8984 0.8984 1.1059 1.1059 4.8529 4.8529 5.3447 5.3447 6.7598 6.7598 6.8618 6.8618 8.2852 8.2852 8.4473 8.4473 8.6758 8.6758 9.2496 9.2496 9.3318 9.3318 10.0346 10.0346 10.3615 10.3615 10.5878 10.5878 10.7181 10.7181 10.8931 10.8931 12.4698 12.4698 13.0751 13.0751 k = 0.2456 0.2456 0.3298 ( 7432 PWs) bands (ev): -67.5564 -67.5564 -67.5417 -67.5417 -37.3602 -37.3602 -37.3249 -37.3249 -36.1853 -36.1853 -36.1631 -36.1631 -36.1329 -36.1329 -36.0706 -36.0706 0.8370 0.8370 1.0403 1.0403 4.9101 4.9101 5.3712 5.3712 6.7931 6.7931 6.9438 6.9438 8.2505 8.2505 8.4788 8.4788 8.6986 8.6986 9.2676 9.2676 9.3431 9.3431 10.0802 10.0802 10.4021 10.4021 10.5956 10.5956 10.7076 10.7076 10.9158 10.9158 12.4639 12.4639 13.0522 13.0522 k = 0.2368 0.2368 0.3298 ( 7436 PWs) bands (ev): -67.5573 -67.5573 -67.5413 -67.5413 -37.3611 -37.3611 -37.3239 -37.3239 -36.1848 -36.1848 -36.1618 -36.1618 -36.1356 -36.1356 -36.0696 -36.0696 0.7771 0.7771 0.9757 0.9757 4.9710 4.9710 5.3985 5.3985 6.8260 6.8260 7.0279 7.0279 8.2133 8.2133 8.5076 8.5076 8.7202 8.7202 9.2846 9.2846 9.3506 9.3506 10.1248 10.1248 10.4399 10.4399 10.6056 10.6056 10.6981 10.6981 10.9410 10.9410 12.4562 12.4562 13.0278 13.0278 k = 0.2281 0.2281 0.3298 ( 7436 PWs) bands (ev): -67.5577 -67.5577 -67.5410 -67.5410 -37.3619 -37.3619 -37.3229 -37.3229 -36.1843 -36.1843 -36.1606 -36.1606 -36.1383 -36.1383 -36.0685 -36.0685 0.7186 0.7186 0.9125 0.9125 5.0353 5.0353 5.4268 5.4268 6.8584 6.8584 7.1142 7.1142 8.1746 8.1746 8.5345 8.5345 8.7389 8.7389 9.2999 9.2999 9.3584 9.3584 10.1641 10.1641 10.4755 10.4755 10.6194 10.6194 10.6885 10.6885 10.9719 10.9719 12.4475 12.4475 13.0026 13.0026 k = 0.2193 0.2193 0.3298 ( 7438 PWs) bands (ev): -67.5578 -67.5578 -67.5411 -67.5411 -37.3628 -37.3628 -37.3219 -37.3219 -36.1839 -36.1839 -36.1594 -36.1594 -36.1409 -36.1409 -36.0674 -36.0674 0.6617 0.6617 0.8507 0.8507 5.1029 5.1029 5.4558 5.4558 6.8899 6.8899 7.2024 7.2024 8.1365 8.1365 8.5581 8.5581 8.7541 8.7541 9.3121 9.3121 9.3666 9.3666 10.1998 10.1998 10.5061 10.5061 10.6349 10.6349 10.6790 10.6790 11.0063 11.0063 12.4364 12.4364 12.9786 12.9786 k = 0.2105 0.2105 0.3298 ( 7434 PWs) bands (ev): -67.5587 -67.5587 -67.5397 -67.5397 -37.3636 -37.3636 -37.3209 -37.3209 -36.1834 -36.1834 -36.1582 -36.1582 -36.1435 -36.1435 -36.0662 -36.0662 0.6066 0.6066 0.7904 0.7904 5.1736 5.1736 5.4854 5.4854 6.9217 6.9217 7.2926 7.2926 8.0960 8.0960 8.5806 8.5806 8.7656 8.7656 9.3207 9.3207 9.3759 9.3759 10.2425 10.2425 10.5323 10.5323 10.6594 10.6594 10.6685 10.6685 11.0339 11.0339 12.4314 12.4314 12.9504 12.9504 k = 0.2018 0.2018 0.3298 ( 7442 PWs) bands (ev): -67.5591 -67.5591 -67.5404 -67.5404 -37.3645 -37.3645 -37.3199 -37.3199 -36.1830 -36.1830 -36.1572 -36.1572 -36.1461 -36.1461 -36.0650 -36.0650 0.5532 0.5532 0.7319 0.7319 5.2472 5.2472 5.5146 5.5146 6.9517 6.9517 7.3843 7.3843 8.0553 8.0553 8.6024 8.6024 8.7742 8.7742 9.3245 9.3245 9.3851 9.3851 10.2712 10.2712 10.5537 10.5537 10.6592 10.6592 10.6836 10.6836 11.0651 11.0651 12.4196 12.4196 12.9208 12.9208 k = 0.1930 0.1930 0.3298 ( 7452 PWs) bands (ev): -67.5608 -67.5608 -67.5401 -67.5401 -37.3653 -37.3653 -37.3190 -37.3190 -36.1825 -36.1825 -36.1562 -36.1562 -36.1486 -36.1486 -36.0638 -36.0638 0.5017 0.5017 0.6751 0.6751 5.3235 5.3235 5.5445 5.5445 6.9810 6.9810 7.4779 7.4779 8.0140 8.0140 8.6216 8.6216 8.7769 8.7769 9.3273 9.3273 9.3946 9.3946 10.3035 10.3035 10.5693 10.5693 10.6463 10.6463 10.7127 10.7127 11.0911 11.0911 12.4098 12.4098 12.8879 12.8879 k = 0.1842 0.1842 0.3298 ( 7448 PWs) bands (ev): -67.5606 -67.5606 -67.5397 -67.5397 -37.3662 -37.3662 -37.3181 -37.3181 -36.1821 -36.1821 -36.1553 -36.1553 -36.1511 -36.1511 -36.0626 -36.0626 0.4521 0.4521 0.6204 0.6204 5.4024 5.4024 5.5747 5.5747 7.0091 7.0091 7.5733 7.5733 7.9742 7.9742 8.6410 8.6410 8.7821 8.7821 9.3297 9.3297 9.4037 9.4037 10.3306 10.3306 10.5817 10.5817 10.6391 10.6391 10.7458 10.7458 11.1255 11.1255 12.3992 12.3992 12.8555 12.8555 k = 0.1754 0.1754 0.3298 ( 7448 PWs) bands (ev): -67.5610 -67.5610 -67.5394 -67.5394 -37.3670 -37.3670 -37.3172 -37.3172 -36.1817 -36.1817 -36.1544 -36.1544 -36.1535 -36.1535 -36.0613 -36.0613 0.4045 0.4045 0.5676 0.5676 5.4834 5.4834 5.6046 5.6046 7.0359 7.0359 7.6697 7.6697 7.9361 7.9361 8.6581 8.6581 8.7828 8.7828 9.3315 9.3315 9.4103 9.4103 10.3575 10.3575 10.5881 10.5881 10.6344 10.6344 10.7825 10.7825 11.1539 11.1539 12.3889 12.3889 12.8206 12.8206 k = 0.1667 0.1667 0.3298 ( 7460 PWs) bands (ev): -67.5629 -67.5629 -67.5390 -67.5390 -37.3678 -37.3678 -37.3163 -37.3163 -36.1813 -36.1813 -36.1558 -36.1558 -36.1536 -36.1536 -36.0601 -36.0601 0.3589 0.3589 0.5169 0.5169 5.5665 5.5665 5.6341 5.6341 7.0617 7.0617 7.7671 7.7671 7.8958 7.8958 8.6738 8.6738 8.7777 8.7777 9.3325 9.3325 9.4130 9.4130 10.3804 10.3804 10.5893 10.5893 10.6280 10.6280 10.8244 10.8244 11.1759 11.1759 12.3787 12.3787 12.7780 12.7780 k = 0.1579 0.1579 0.3298 ( 7454 PWs) bands (ev): -67.5630 -67.5630 -67.5382 -67.5382 -37.3685 -37.3685 -37.3155 -37.3155 -36.1809 -36.1809 -36.1580 -36.1580 -36.1529 -36.1529 -36.0587 -36.0587 0.3154 0.3154 0.4685 0.4685 5.6496 5.6496 5.6649 5.6649 7.0863 7.0863 7.8486 7.8486 7.8746 7.8746 8.6895 8.6895 8.7750 8.7750 9.3339 9.3339 9.4130 9.4130 10.4032 10.4032 10.5900 10.5900 10.6263 10.6263 10.8714 10.8714 11.2085 11.2085 12.3723 12.3723 12.7349 12.7349 k = 0.1491 0.1491 0.3298 ( 7438 PWs) bands (ev): -67.5623 -67.5623 -67.5368 -67.5368 -37.3693 -37.3693 -37.3147 -37.3147 -36.1805 -36.1805 -36.1601 -36.1601 -36.1521 -36.1521 -36.0574 -36.0574 0.2740 0.2740 0.4224 0.4224 5.6910 5.6910 5.7402 5.7402 7.1102 7.1102 7.8187 7.8187 7.9684 7.9684 8.7064 8.7064 8.7729 8.7729 9.3372 9.3372 9.4116 9.4116 10.4180 10.4180 10.5918 10.5918 10.6262 10.6262 10.9245 10.9245 11.2400 11.2400 12.3626 12.3626 12.6898 12.6898 k = 0.1404 0.1404 0.3298 ( 7432 PWs) bands (ev): -67.5624 -67.5624 -67.5360 -67.5360 -37.3700 -37.3700 -37.3139 -37.3139 -36.1801 -36.1801 -36.1621 -36.1621 -36.1515 -36.1515 -36.0562 -36.0562 0.2349 0.2349 0.3786 0.3786 5.7189 5.7189 5.8287 5.8287 7.1322 7.1322 7.7828 7.7828 8.0689 8.0689 8.7205 8.7205 8.7693 8.7693 9.3391 9.3391 9.4059 9.4059 10.4264 10.4264 10.5894 10.5894 10.6240 10.6240 10.9803 10.9803 11.2696 11.2696 12.3544 12.3544 12.6409 12.6409 k = 0.1316 0.1316 0.3298 ( 7436 PWs) bands (ev): -67.5632 -67.5632 -67.5357 -67.5357 -37.3707 -37.3707 -37.3132 -37.3132 -36.1798 -36.1798 -36.1640 -36.1640 -36.1509 -36.1509 -36.0549 -36.0549 0.1979 0.1979 0.3371 0.3371 5.7461 5.7461 5.9182 5.9182 7.1519 7.1519 7.7466 7.7466 8.1704 8.1704 8.7334 8.7334 8.7608 8.7608 9.3402 9.3402 9.3954 9.3954 10.4294 10.4294 10.5865 10.5865 10.6212 10.6212 11.0384 11.0384 11.2948 11.2948 12.3435 12.3435 12.5873 12.5873 k = 0.1228 0.1228 0.3298 ( 7432 PWs) bands (ev): -67.5625 -67.5625 -67.5359 -67.5359 -37.3714 -37.3714 -37.3125 -37.3125 -36.1795 -36.1795 -36.1658 -36.1658 -36.1504 -36.1504 -36.0537 -36.0537 0.1631 0.1631 0.2982 0.2982 5.7706 5.7706 6.0087 6.0087 7.1707 7.1707 7.7120 7.7120 8.2717 8.2717 8.7457 8.7457 8.7558 8.7558 9.3374 9.3374 9.3838 9.3838 10.4254 10.4254 10.5864 10.5864 10.6210 10.6210 11.1023 11.1023 11.3292 11.3292 12.3321 12.3321 12.5332 12.5332 k = 0.1140 0.1140 0.3298 ( 7420 PWs) bands (ev): -67.5622 -67.5622 -67.5346 -67.5346 -37.3720 -37.3720 -37.3118 -37.3118 -36.1793 -36.1793 -36.1675 -36.1675 -36.1499 -36.1499 -36.0525 -36.0525 0.1307 0.1307 0.2618 0.2618 5.7952 5.7952 6.1001 6.1001 7.1904 7.1904 7.6784 7.6784 8.3738 8.3738 8.7498 8.7498 8.7568 8.7568 9.3286 9.3286 9.3763 9.3763 10.4169 10.4169 10.5848 10.5848 10.6191 10.6191 11.1747 11.1747 11.3600 11.3600 12.3256 12.3256 12.4793 12.4793 k = 0.1053 0.1053 0.3298 ( 7422 PWs) bands (ev): -67.5627 -67.5627 -67.5343 -67.5343 -37.3726 -37.3726 -37.3113 -37.3113 -36.1791 -36.1791 -36.1690 -36.1690 -36.1495 -36.1495 -36.0514 -36.0514 0.1005 0.1005 0.2278 0.2278 5.8180 5.8180 6.1914 6.1914 7.2064 7.2064 7.6446 7.6446 8.4758 8.4758 8.7436 8.7436 8.7666 8.7666 9.3083 9.3083 9.3745 9.3745 10.4021 10.4021 10.5812 10.5812 10.6153 10.6153 11.2451 11.2451 11.3849 11.3849 12.3181 12.3181 12.4252 12.4252 k = 0.0965 0.0965 0.3298 ( 7422 PWs) bands (ev): -67.5635 -67.5635 -67.5335 -67.5335 -37.3731 -37.3731 -37.3107 -37.3107 -36.1790 -36.1790 -36.1704 -36.1704 -36.1491 -36.1491 -36.0503 -36.0503 0.0727 0.0727 0.1965 0.1965 5.8390 5.8390 6.2823 6.2823 7.2218 7.2218 7.6118 7.6118 8.5771 8.5771 8.7381 8.7381 8.7757 8.7757 9.2796 9.2796 9.3769 9.3769 10.3845 10.3845 10.5781 10.5781 10.6125 10.6125 11.3165 11.3165 11.4035 11.4035 12.3179 12.3179 12.3742 12.3742 k = 0.0877 0.0877 0.3298 ( 7422 PWs) bands (ev): -67.5643 -67.5643 -67.5328 -67.5328 -37.3736 -37.3736 -37.3102 -37.3102 -36.1789 -36.1789 -36.1716 -36.1716 -36.1488 -36.1488 -36.0493 -36.0493 0.0472 0.0472 0.1677 0.1677 5.8596 5.8596 6.3732 6.3732 7.2355 7.2355 7.5801 7.5801 8.6778 8.6778 8.7316 8.7316 8.7840 8.7840 9.2468 9.2468 9.3818 9.3818 10.3587 10.3587 10.5739 10.5739 10.6088 10.6088 11.3760 11.3760 11.4387 11.4387 12.3030 12.3030 12.3358 12.3358 k = 0.0789 0.0789 0.3298 ( 7418 PWs) bands (ev): -67.5634 -67.5634 -67.5331 -67.5331 -37.3741 -37.3741 -37.3097 -37.3097 -36.1789 -36.1789 -36.1726 -36.1726 -36.1485 -36.1485 -36.0484 -36.0484 0.0241 0.0241 0.1417 0.1417 5.8778 5.8778 6.4626 6.4626 7.2454 7.2454 7.5493 7.5493 8.7296 8.7296 8.7774 8.7774 8.7916 8.7916 9.2107 9.2107 9.3873 9.3873 10.3280 10.3280 10.5720 10.5720 10.6076 10.6076 11.4160 11.4160 11.5017 11.5017 12.2688 12.2688 12.3185 12.3185 k = 0.0702 0.0702 0.3298 ( 7414 PWs) bands (ev): -67.5637 -67.5637 -67.5325 -67.5325 -37.3745 -37.3745 -37.3093 -37.3093 -36.1791 -36.1791 -36.1734 -36.1734 -36.1482 -36.1482 -36.0475 -36.0475 0.0034 0.0034 0.1183 0.1183 5.8944 5.8944 6.5503 6.5503 7.2556 7.2556 7.5180 7.5180 8.7189 8.7189 8.7981 8.7981 8.8751 8.8751 9.1715 9.1715 9.3931 9.3931 10.2950 10.2950 10.5721 10.5721 10.6088 10.6088 11.4398 11.4398 11.5799 11.5799 12.2306 12.2306 12.3188 12.3188 k = 0.0614 0.0614 0.3298 ( 7430 PWs) bands (ev): -67.5649 -67.5649 -67.5333 -67.5333 -37.3749 -37.3749 -37.3089 -37.3089 -36.1794 -36.1794 -36.1740 -36.1740 -36.1481 -36.1481 -36.0468 -36.0468 -0.0149 -0.0149 0.0975 0.0975 5.9071 5.9071 6.6353 6.6353 7.2648 7.2648 7.4863 7.4863 8.7122 8.7122 8.8031 8.8031 8.9697 8.9697 9.1317 9.1317 9.3983 9.3983 10.2518 10.2518 10.5643 10.5643 10.6031 10.6031 11.4512 11.4512 11.6633 11.6633 12.1942 12.1942 12.3112 12.3112 k = 0.0526 0.0526 0.3298 ( 7430 PWs) bands (ev): -67.5640 -67.5640 -67.5343 -67.5343 -37.3753 -37.3753 -37.3086 -37.3086 -36.1797 -36.1797 -36.1744 -36.1744 -36.1478 -36.1478 -36.0461 -36.0461 -0.0308 -0.0308 0.0796 0.0796 5.9186 5.9186 6.7177 6.7177 7.2707 7.2707 7.4560 7.4560 8.7110 8.7110 8.8079 8.8079 9.0584 9.0584 9.0971 9.0971 9.4040 9.4040 10.2063 10.2063 10.5633 10.5633 10.6023 10.6023 11.4672 11.4672 11.7446 11.7446 12.1632 12.1632 12.3044 12.3044 k = 0.0439 0.0439 0.3298 ( 7434 PWs) bands (ev): -67.5642 -67.5642 -67.5347 -67.5347 -37.3756 -37.3756 -37.3083 -37.3083 -36.1801 -36.1801 -36.1747 -36.1747 -36.1477 -36.1477 -36.0455 -36.0455 -0.0443 -0.0443 0.0643 0.0643 5.9282 5.9282 6.7956 6.7956 7.2763 7.2763 7.4241 7.4241 8.7071 8.7071 8.8118 8.8118 9.0552 9.0552 9.1509 9.1509 9.4097 9.4097 10.1583 10.1583 10.5602 10.5602 10.5999 10.5999 11.4790 11.4790 11.8262 11.8262 12.1372 12.1372 12.3027 12.3027 k = 0.0351 0.0351 0.3298 ( 7434 PWs) bands (ev): -67.5643 -67.5643 -67.5346 -67.5346 -37.3758 -37.3758 -37.3081 -37.3081 -36.1805 -36.1805 -36.1749 -36.1749 -36.1476 -36.1476 -36.0450 -36.0450 -0.0554 -0.0554 0.0518 0.0518 5.9371 5.9371 6.8683 6.8683 7.2807 7.2807 7.3922 7.3922 8.7038 8.7038 8.8152 8.8152 9.0231 9.0231 9.2305 9.2305 9.4155 9.4155 10.1102 10.1102 10.5578 10.5578 10.5979 10.5979 11.4887 11.4887 11.9037 11.9037 12.1165 12.1165 12.3018 12.3018 k = 0.0263 0.0263 0.3298 ( 7440 PWs) bands (ev): -67.5641 -67.5641 -67.5356 -67.5356 -37.3760 -37.3760 -37.3079 -37.3079 -36.1808 -36.1808 -36.1750 -36.1750 -36.1474 -36.1474 -36.0446 -36.0446 -0.0640 -0.0640 0.0421 0.0421 5.9432 5.9432 6.9337 6.9337 7.2819 7.2819 7.3600 7.3600 8.7014 8.7014 8.8177 8.8177 8.9960 8.9960 9.3005 9.3005 9.4218 9.4218 10.0622 10.0622 10.5573 10.5573 10.5972 10.5972 11.4962 11.4962 11.9706 11.9706 12.0984 12.0984 12.2974 12.2974 k = 0.0175 0.0175 0.3298 ( 7436 PWs) bands (ev): -67.5637 -67.5637 -67.5356 -67.5356 -37.3762 -37.3762 -37.3078 -37.3078 -36.1810 -36.1810 -36.1750 -36.1750 -36.1474 -36.1474 -36.0443 -36.0443 -0.0701 -0.0701 0.0352 0.0352 5.9482 5.9482 6.9892 6.9892 7.2807 7.2807 7.3327 7.3327 8.7011 8.7011 8.8196 8.8196 8.9753 8.9753 9.3542 9.3542 9.4304 9.4304 10.0214 10.0214 10.5587 10.5587 10.5981 10.5981 11.5029 11.5029 12.0248 12.0248 12.0888 12.0888 12.2971 12.2971 k = 0.0088 0.0088 0.3298 ( 7432 PWs) bands (ev): -67.5627 -67.5627 -67.5361 -67.5361 -37.3763 -37.3763 -37.3077 -37.3077 -36.1812 -36.1812 -36.1751 -36.1751 -36.1473 -36.1473 -36.0441 -36.0441 -0.0738 -0.0738 0.0311 0.0311 5.9509 5.9509 7.0292 7.0292 7.2733 7.2733 7.3150 7.3150 8.7060 8.7060 8.8206 8.8206 8.9630 8.9630 9.3840 9.3840 9.4427 9.4427 9.9920 9.9920 10.5605 10.5605 10.5998 10.5998 11.5080 11.5080 12.0537 12.0537 12.0866 12.0866 12.2965 12.2965 k = 0.0000 0.0000 0.3298 ( 7432 PWs) bands (ev): -67.5627 -67.5627 -67.5361 -67.5361 -37.3763 -37.3763 -37.3077 -37.3077 -36.1813 -36.1813 -36.1751 -36.1751 -36.1473 -36.1473 -36.0441 -36.0441 -0.0750 -0.0750 0.0297 0.0297 5.9519 5.9519 7.0444 7.0444 7.2685 7.2685 7.3101 7.3101 8.7056 8.7056 8.8210 8.8210 8.9586 8.9586 9.3921 9.3921 9.4497 9.4497 9.9813 9.9813 10.5602 10.5602 10.5996 10.5996 11.5091 11.5091 12.0608 12.0608 12.0903 12.0903 12.2965 12.2965 k = 0.0000 0.5000-0.0000 ( 7418 PWs) bands (ev): -67.5480 -67.5480 -67.5480 -67.5480 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.0900 1.0900 1.0900 1.0900 4.6231 4.6231 4.6231 4.6231 6.8720 6.8720 6.8720 6.8720 8.7710 8.7710 8.7710 8.7710 9.2960 9.2960 9.2961 9.2961 9.5512 9.5512 9.5512 9.5512 10.4042 10.4042 10.4043 10.4043 10.8306 10.8306 10.8306 10.8306 12.3025 12.3025 12.3025 12.3025 k = 0.0000 0.5000 0.0122 ( 7418 PWs) bands (ev): -67.5480 -67.5480 -67.5480 -67.5480 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.0907 1.0907 1.0908 1.0908 4.6180 4.6180 4.6180 4.6180 6.8781 6.8781 6.8781 6.8781 8.7707 8.7707 8.7708 8.7708 9.2961 9.2961 9.2961 9.2961 9.5505 9.5505 9.5505 9.5505 10.4042 10.4042 10.4042 10.4042 10.8322 10.8322 10.8322 10.8322 12.3041 12.3041 12.3041 12.3041 k = 0.0000 0.5000 0.0244 ( 7422 PWs) bands (ev): -67.5483 -67.5483 -67.5483 -67.5483 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.0930 1.0930 1.0930 1.0930 4.6029 4.6029 4.6029 4.6029 6.8962 6.8962 6.8962 6.8962 8.7699 8.7699 8.7699 8.7699 9.2963 9.2963 9.2963 9.2963 9.5472 9.5472 9.5472 9.5472 10.4034 10.4034 10.4034 10.4034 10.8366 10.8366 10.8366 10.8366 12.3086 12.3086 12.3086 12.3086 k = 0.0000 0.5000 0.0367 ( 7420 PWs) bands (ev): -67.5481 -67.5481 -67.5481 -67.5481 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.0968 1.0968 1.0968 1.0968 4.5786 4.5786 4.5786 4.5786 6.9261 6.9261 6.9261 6.9261 8.7686 8.7686 8.7686 8.7686 9.2967 9.2967 9.2967 9.2967 9.5443 9.5443 9.5443 9.5443 10.4031 10.4031 10.4031 10.4031 10.8460 10.8460 10.8461 10.8461 12.3162 12.3162 12.3162 12.3162 k = 0.0000 0.5000 0.0489 ( 7426 PWs) bands (ev): -67.5485 -67.5485 -67.5485 -67.5485 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.1020 1.1020 1.1020 1.1020 4.5458 4.5458 4.5459 4.5459 6.9661 6.9661 6.9662 6.9662 8.7665 8.7665 8.7665 8.7665 9.2970 9.2970 9.2970 9.2970 9.5378 9.5378 9.5379 9.5379 10.4005 10.4005 10.4005 10.4005 10.8584 10.8584 10.8585 10.8585 12.3267 12.3267 12.3267 12.3267 k = 0.0000 0.5000 0.0611 ( 7438 PWs) bands (ev): -67.5493 -67.5493 -67.5493 -67.5493 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.1086 1.1086 1.1087 1.1087 4.5055 4.5055 4.5055 4.5055 7.0159 7.0159 7.0159 7.0159 8.7626 8.7626 8.7627 8.7627 9.2956 9.2956 9.2956 9.2956 9.5306 9.5306 9.5306 9.5306 10.3974 10.3974 10.3974 10.3974 10.8722 10.8722 10.8723 10.8723 12.3396 12.3396 12.3396 12.3396 k = 0.0000 0.5000 0.0733 ( 7426 PWs) bands (ev): -67.5485 -67.5485 -67.5485 -67.5485 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.1167 1.1167 1.1167 1.1167 4.4593 4.4593 4.4594 4.4594 7.0751 7.0751 7.0751 7.0751 8.7604 8.7604 8.7604 8.7604 9.2972 9.2972 9.2972 9.2972 9.5234 9.5234 9.5235 9.5235 10.3970 10.3970 10.3970 10.3970 10.8977 10.8977 10.8977 10.8977 12.3563 12.3563 12.3563 12.3563 k = 0.0000 0.5000 0.0855 ( 7416 PWs) bands (ev): -67.5479 -67.5479 -67.5479 -67.5479 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.1261 1.1261 1.1261 1.1261 4.4080 4.4080 4.4080 4.4080 7.1405 7.1405 7.1405 7.1405 8.7594 8.7594 8.7595 8.7595 9.3001 9.3001 9.3001 9.3001 9.5144 9.5144 9.5145 9.5145 10.3967 10.3967 10.3967 10.3967 10.9225 10.9225 10.9225 10.9225 12.3768 12.3768 12.3769 12.3769 k = 0.0000 0.5000 0.0977 ( 7424 PWs) bands (ev): -67.5484 -67.5484 -67.5484 -67.5484 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.1367 1.1367 1.1367 1.1367 4.3527 4.3527 4.3527 4.3527 7.2111 7.2111 7.2112 7.2112 8.7553 8.7553 8.7554 8.7554 9.3006 9.3006 9.3006 9.3006 9.5023 9.5023 9.5023 9.5023 10.3915 10.3915 10.3916 10.3916 10.9497 10.9497 10.9498 10.9498 12.3986 12.3986 12.3986 12.3986 k = 0.0000 0.5000 0.1099 ( 7420 PWs) bands (ev): -67.5481 -67.5481 -67.5481 -67.5481 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.1485 1.1485 1.1485 1.1485 4.2946 4.2946 4.2947 4.2947 7.2870 7.2870 7.2870 7.2870 8.7518 8.7518 8.7519 8.7519 9.3021 9.3021 9.3021 9.3021 9.4892 9.4892 9.4892 9.4892 10.3918 10.3918 10.3918 10.3918 10.9817 10.9817 10.9817 10.9817 12.4234 12.4234 12.4234 12.4234 k = 0.0000 0.5000 0.1222 ( 7414 PWs) bands (ev): -67.5477 -67.5477 -67.5477 -67.5477 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.1613 1.1613 1.1613 1.1613 4.2348 4.2348 4.2348 4.2348 7.3666 7.3666 7.3666 7.3666 8.7480 8.7480 8.7480 8.7480 9.3037 9.3037 9.3037 9.3037 9.4744 9.4744 9.4744 9.4744 10.3917 10.3917 10.3918 10.3918 11.0196 11.0196 11.0196 11.0196 12.4509 12.4509 12.4509 12.4509 k = 0.0000 0.5000 0.1344 ( 7410 PWs) bands (ev): -67.5474 -67.5474 -67.5474 -67.5474 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.1751 1.1751 1.1751 1.1751 4.1740 4.1740 4.1740 4.1740 7.4485 7.4485 7.4485 7.4485 8.7446 8.7446 8.7446 8.7446 9.3060 9.3060 9.3060 9.3060 9.4580 9.4580 9.4580 9.4580 10.3895 10.3895 10.3895 10.3895 11.0601 11.0601 11.0602 11.0602 12.4804 12.4804 12.4804 12.4804 k = 0.0000 0.5000 0.1466 ( 7410 PWs) bands (ev): -67.5474 -67.5474 -67.5474 -67.5474 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.1896 1.1896 1.1896 1.1896 4.1128 4.1128 4.1128 4.1128 7.5325 7.5325 7.5325 7.5325 8.7401 8.7401 8.7401 8.7401 9.3066 9.3066 9.3066 9.3066 9.4389 9.4389 9.4389 9.4389 10.3897 10.3897 10.3897 10.3897 11.1027 11.1027 11.1028 11.1028 12.5117 12.5117 12.5117 12.5117 k = 0.0000 0.5000 0.1588 ( 7410 PWs) bands (ev): -67.5474 -67.5474 -67.5474 -67.5474 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1144 -36.1144 -36.1144 -36.1144 1.2048 1.2048 1.2048 1.2048 4.0522 4.0522 4.0523 4.0523 7.6175 7.6175 7.6175 7.6175 8.7356 8.7356 8.7356 8.7356 9.3075 9.3075 9.3075 9.3075 9.4180 9.4180 9.4180 9.4180 10.3879 10.3879 10.3880 10.3880 11.1501 11.1501 11.1502 11.1502 12.5449 12.5449 12.5449 12.5449 k = 0.0000 0.5000 0.1710 ( 7394 PWs) bands (ev): -67.5464 -67.5464 -67.5464 -67.5464 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.2205 1.2205 1.2205 1.2205 3.9929 3.9929 3.9930 3.9930 7.7027 7.7027 7.7027 7.7027 8.7329 8.7329 8.7329 8.7329 9.3120 9.3120 9.3120 9.3120 9.3981 9.3981 9.3981 9.3981 10.3879 10.3879 10.3879 10.3879 11.2022 11.2022 11.2023 11.2023 12.5821 12.5821 12.5821 12.5821 k = 0.0000 0.5000 0.1832 ( 7390 PWs) bands (ev): -67.5461 -67.5461 -67.5461 -67.5461 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.2364 1.2364 1.2364 1.2364 3.9353 3.9353 3.9353 3.9353 7.7877 7.7877 7.7877 7.7877 8.7294 8.7294 8.7294 8.7294 9.3125 9.3125 9.3125 9.3125 9.3743 9.3743 9.3744 9.3744 10.3863 10.3863 10.3864 10.3864 11.2577 11.2577 11.2577 11.2577 12.6184 12.6184 12.6184 12.6184 k = 0.0000 0.5000 0.1955 ( 7386 PWs) bands (ev): -67.5459 -67.5459 -67.5459 -67.5459 -37.3415 -37.3415 -37.3415 -37.3415 -36.1628 -36.1628 -36.1628 -36.1628 -36.1143 -36.1143 -36.1143 -36.1143 1.2523 1.2523 1.2523 1.2523 3.8799 3.8799 3.8799 3.8799 7.8719 7.8719 7.8719 7.8719 8.7260 8.7260 8.7260 8.7260 9.3099 9.3099 9.3099 9.3099 9.3508 9.3508 9.3508 9.3508 10.3864 10.3864 10.3865 10.3865 11.3155 11.3155 11.3156 11.3156 12.6558 12.6558 12.6558 12.6558 k = 0.0000 0.5000 0.2077 ( 7394 PWs) bands (ev): -67.5465 -67.5465 -67.5465 -67.5465 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.2681 1.2681 1.2681 1.2681 3.8272 3.8272 3.8273 3.8273 7.9532 7.9532 7.9532 7.9532 8.7218 8.7218 8.7218 8.7218 9.2988 9.2988 9.2989 9.2989 9.3313 9.3313 9.3313 9.3313 10.3850 10.3850 10.3850 10.3850 11.3737 11.3737 11.3738 11.3738 12.6931 12.6931 12.6931 12.6931 k = 0.0000 0.5000 0.2199 ( 7398 PWs) bands (ev): -67.5467 -67.5467 -67.5467 -67.5467 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.2836 1.2836 1.2836 1.2836 3.7779 3.7779 3.7779 3.7779 8.0334 8.0334 8.0334 8.0334 8.7170 8.7170 8.7170 8.7170 9.2746 9.2746 9.2747 9.2747 9.3244 9.3244 9.3244 9.3244 10.3836 10.3836 10.3837 10.3837 11.4356 11.4356 11.4357 11.4357 12.7297 12.7297 12.7297 12.7297 k = 0.0000 0.5000 0.2321 ( 7398 PWs) bands (ev): -67.5468 -67.5468 -67.5468 -67.5468 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.2983 1.2983 1.2983 1.2983 3.7323 3.7323 3.7323 3.7323 8.1112 8.1112 8.1112 8.1112 8.7129 8.7129 8.7130 8.7130 9.2446 9.2446 9.2446 9.2446 9.3227 9.3227 9.3227 9.3227 10.3829 10.3829 10.3829 10.3829 11.4991 11.4991 11.4992 11.4992 12.7653 12.7653 12.7653 12.7653 k = 0.0000 0.5000 0.2443 ( 7390 PWs) bands (ev): -67.5463 -67.5463 -67.5463 -67.5463 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.3122 1.3122 1.3122 1.3122 3.6909 3.6909 3.6909 3.6909 8.1859 8.1859 8.1859 8.1859 8.7112 8.7112 8.7113 8.7113 9.2119 9.2119 9.2120 9.2120 9.3239 9.3239 9.3239 9.3239 10.3830 10.3830 10.3831 10.3831 11.5627 11.5627 11.5627 11.5627 12.8023 12.8023 12.8023 12.8023 k = 0.0000 0.5000 0.2565 ( 7390 PWs) bands (ev): -67.5463 -67.5463 -67.5463 -67.5463 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.3249 1.3249 1.3249 1.3249 3.6540 3.6540 3.6541 3.6541 8.2561 8.2561 8.2561 8.2561 8.7084 8.7084 8.7084 8.7084 9.1771 9.1771 9.1772 9.1772 9.3242 9.3242 9.3242 9.3242 10.3826 10.3826 10.3826 10.3826 11.6245 11.6245 11.6246 11.6246 12.8363 12.8363 12.8363 12.8363 k = 0.0000 0.5000 0.2688 ( 7392 PWs) bands (ev): -67.5464 -67.5464 -67.5464 -67.5464 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.3362 1.3362 1.3362 1.3362 3.6222 3.6222 3.6222 3.6222 8.3206 8.3206 8.3206 8.3206 8.7060 8.7060 8.7060 8.7060 9.1420 9.1420 9.1420 9.1420 9.3246 9.3246 9.3246 9.3246 10.3822 10.3822 10.3822 10.3822 11.6826 11.6826 11.6826 11.6826 12.8674 12.8674 12.8674 12.8674 k = 0.0000 0.5000 0.2810 ( 7398 PWs) bands (ev): -67.5468 -67.5468 -67.5468 -67.5468 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.3458 1.3458 1.3458 1.3458 3.5956 3.5956 3.5956 3.5956 8.3790 8.3790 8.3791 8.3791 8.7030 8.7030 8.7030 8.7030 9.1089 9.1089 9.1090 9.1090 9.3229 9.3229 9.3229 9.3229 10.3799 10.3799 10.3799 10.3799 11.7360 11.7360 11.7361 11.7361 12.8936 12.8936 12.8936 12.8936 k = 0.0000 0.5000 0.2932 ( 7398 PWs) bands (ev): -67.5468 -67.5468 -67.5468 -67.5468 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.3535 1.3535 1.3535 1.3535 3.5746 3.5746 3.5746 3.5746 8.4304 8.4304 8.4304 8.4304 8.7003 8.7003 8.7003 8.7003 9.0780 9.0780 9.0780 9.0780 9.3228 9.3228 9.3228 9.3228 10.3803 10.3803 10.3803 10.3803 11.7816 11.7816 11.7817 11.7817 12.9154 12.9154 12.9155 12.9155 k = 0.0000 0.5000 0.3054 ( 7394 PWs) bands (ev): -67.5466 -67.5466 -67.5466 -67.5466 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.3592 1.3592 1.3592 1.3592 3.5594 3.5594 3.5594 3.5594 8.4708 8.4708 8.4708 8.4708 8.6993 8.6993 8.6993 8.6993 9.0525 9.0525 9.0525 9.0525 9.3234 9.3234 9.3234 9.3234 10.3813 10.3813 10.3814 10.3814 11.8166 11.8166 11.8167 11.8167 12.9329 12.9329 12.9329 12.9329 k = 0.0000 0.5000 0.3176 ( 7402 PWs) bands (ev): -67.5471 -67.5471 -67.5471 -67.5471 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.3626 1.3626 1.3626 1.3626 3.5502 3.5502 3.5502 3.5502 8.4961 8.4961 8.4961 8.4961 8.6968 8.6968 8.6969 8.6969 9.0348 9.0348 9.0348 9.0348 9.3223 9.3223 9.3223 9.3223 10.3800 10.3800 10.3801 10.3801 11.8384 11.8384 11.8384 11.8384 12.9419 12.9419 12.9419 12.9419 k = 0.0000 0.5000 0.3298 ( 7408 PWs) bands (ev): -67.5475 -67.5475 -67.5475 -67.5475 -37.3415 -37.3415 -37.3415 -37.3415 -36.1629 -36.1629 -36.1629 -36.1629 -36.1143 -36.1143 -36.1143 -36.1143 1.3638 1.3638 1.3638 1.3638 3.5471 3.5471 3.5471 3.5471 8.5040 8.5040 8.5040 8.5040 8.6964 8.6964 8.6964 8.6964 9.0280 9.0280 9.0280 9.0280 9.3223 9.3223 9.3223 9.3223 10.3779 10.3779 10.3779 10.3779 11.8456 11.8456 11.8456 11.8456 12.9454 12.9454 12.9454 12.9454 k = 0.5000 0.5000-0.0000 ( 7340 PWs) bands (ev): -67.5433 -67.5433 -67.5433 -67.5433 -37.3453 -37.3453 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2374 2.2374 2.2374 2.2374 4.8864 4.8864 4.8864 4.8864 6.0326 6.0326 6.0326 6.0326 7.8356 7.8356 7.8356 7.8356 8.3488 8.3488 8.3488 8.3488 8.9774 8.9774 8.9775 8.9775 10.4013 10.4013 10.4013 10.4013 10.8948 10.8948 10.8949 10.8949 11.6944 11.6944 11.6945 11.6945 k = 0.5000 0.5000 0.0122 ( 7340 PWs) bands (ev): -67.5432 -67.5432 -67.5432 -67.5432 -37.3453 -37.3453 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2376 2.2376 2.2376 2.2376 4.8878 4.8878 4.8878 4.8878 6.0312 6.0312 6.0312 6.0312 7.8290 7.8290 7.8290 7.8290 8.3500 8.3500 8.3500 8.3500 8.9805 8.9805 8.9806 8.9806 10.4013 10.4013 10.4013 10.4013 10.8949 10.8949 10.8949 10.8949 11.6982 11.6982 11.6982 11.6982 k = 0.5000 0.5000 0.0244 ( 7344 PWs) bands (ev): -67.5435 -67.5435 -67.5435 -67.5435 -37.3453 -37.3453 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2381 2.2381 2.2381 2.2381 4.8919 4.8919 4.8919 4.8919 6.0258 6.0258 6.0258 6.0258 7.8094 7.8094 7.8094 7.8094 8.3533 8.3533 8.3533 8.3533 8.9910 8.9910 8.9910 8.9910 10.3994 10.3994 10.3994 10.3994 10.8935 10.8935 10.8935 10.8935 11.7146 11.7146 11.7146 11.7146 k = 0.5000 0.5000 0.0367 ( 7344 PWs) bands (ev): -67.5435 -67.5435 -67.5435 -67.5435 -37.3453 -37.3453 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2390 2.2390 2.2390 2.2390 4.8988 4.8988 4.8988 4.8988 6.0190 6.0190 6.0190 6.0190 7.7778 7.7778 7.7778 7.7778 8.3588 8.3588 8.3589 8.3589 9.0052 9.0052 9.0052 9.0052 10.3993 10.3993 10.3993 10.3993 10.8936 10.8936 10.8936 10.8936 11.7328 11.7328 11.7329 11.7329 k = 0.5000 0.5000 0.0489 ( 7336 PWs) bands (ev): -67.5429 -67.5429 -67.5429 -67.5429 -37.3453 -37.3453 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2403 2.2403 2.2403 2.2403 4.9085 4.9085 4.9085 4.9085 6.0099 6.0099 6.0099 6.0099 7.7355 7.7355 7.7355 7.7355 8.3664 8.3664 8.3665 8.3665 9.0237 9.0237 9.0238 9.0238 10.3996 10.3996 10.3996 10.3996 10.8989 10.8989 10.8989 10.8989 11.7599 11.7599 11.7600 11.7600 k = 0.5000 0.5000 0.0611 ( 7360 PWs) bands (ev): -67.5445 -67.5445 -67.5445 -67.5445 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2419 2.2419 2.2419 2.2419 4.9208 4.9208 4.9208 4.9208 5.9978 5.9978 5.9978 5.9978 7.6838 7.6838 7.6838 7.6838 8.3758 8.3758 8.3759 8.3759 9.0387 9.0387 9.0388 9.0388 10.3914 10.3914 10.3914 10.3914 10.8984 10.8984 10.8984 10.8984 11.7858 11.7858 11.7859 11.7859 k = 0.5000 0.5000 0.0733 ( 7360 PWs) bands (ev): -67.5445 -67.5445 -67.5445 -67.5445 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2438 2.2438 2.2438 2.2438 4.9359 4.9359 4.9359 4.9359 5.9841 5.9841 5.9841 5.9841 7.6244 7.6244 7.6244 7.6244 8.3870 8.3870 8.3870 8.3870 9.0615 9.0615 9.0615 9.0615 10.3914 10.3914 10.3914 10.3914 10.8985 10.8985 10.8985 10.8985 11.8228 11.8228 11.8228 11.8228 k = 0.5000 0.5000 0.0855 ( 7376 PWs) bands (ev): -67.5456 -67.5456 -67.5456 -67.5456 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0808 -36.0808 -36.0805 -36.0805 2.2460 2.2460 2.2460 2.2460 4.9538 4.9538 4.9538 4.9538 5.9681 5.9681 5.9681 5.9681 7.5585 7.5585 7.5585 7.5585 8.3994 8.3994 8.3994 8.3994 9.0817 9.0817 9.0818 9.0818 10.3907 10.3907 10.3907 10.3907 10.8927 10.8927 10.8927 10.8927 11.8611 11.8611 11.8611 11.8611 k = 0.5000 0.5000 0.0977 ( 7376 PWs) bands (ev): -67.5456 -67.5456 -67.5456 -67.5456 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1943 -36.1943 -36.0808 -36.0808 -36.0805 -36.0805 2.2485 2.2485 2.2485 2.2485 4.9742 4.9742 4.9742 4.9742 5.9504 5.9504 5.9504 5.9504 7.4875 7.4875 7.4875 7.4875 8.4129 8.4129 8.4129 8.4129 9.1044 9.1044 9.1044 9.1044 10.3921 10.3921 10.3921 10.3921 10.8960 10.8960 10.8960 10.8960 11.9067 11.9067 11.9068 11.9068 k = 0.5000 0.5000 0.1099 ( 7384 PWs) bands (ev): -67.5461 -67.5461 -67.5461 -67.5461 -37.3454 -37.3454 -37.3453 -37.3453 -36.1945 -36.1945 -36.1943 -36.1943 -36.0808 -36.0808 -36.0805 -36.0805 2.2512 2.2512 2.2512 2.2512 4.9974 4.9974 4.9974 4.9974 5.9317 5.9317 5.9317 5.9317 7.4125 7.4125 7.4125 7.4125 8.4274 8.4274 8.4274 8.4274 9.1270 9.1270 9.1270 9.1270 10.3882 10.3882 10.3882 10.3882 10.8938 10.8938 10.8939 10.8939 11.9555 11.9555 11.9555 11.9555 k = 0.5000 0.5000 0.1222 ( 7376 PWs) bands (ev): -67.5455 -67.5455 -67.5455 -67.5455 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1943 -36.1943 -36.0808 -36.0808 -36.0805 -36.0805 2.2541 2.2541 2.2541 2.2541 5.0233 5.0233 5.0233 5.0233 5.9125 5.9125 5.9126 5.9126 7.3344 7.3344 7.3344 7.3344 8.4431 8.4431 8.4431 8.4431 9.1489 9.1489 9.1490 9.1490 10.3897 10.3897 10.3897 10.3897 10.8977 10.8977 10.8977 10.8977 12.0070 12.0070 12.0070 12.0070 k = 0.5000 0.5000 0.1344 ( 7376 PWs) bands (ev): -67.5455 -67.5455 -67.5455 -67.5455 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1943 -36.1943 -36.0808 -36.0808 -36.0805 -36.0805 2.2572 2.2572 2.2572 2.2572 5.0517 5.0517 5.0517 5.0517 5.8924 5.8924 5.8924 5.8924 7.2539 7.2539 7.2539 7.2539 8.4589 8.4589 8.4589 8.4589 9.1695 9.1695 9.1695 9.1695 10.3897 10.3897 10.3897 10.3897 10.8978 10.8978 10.8978 10.8978 12.0593 12.0593 12.0594 12.0594 k = 0.5000 0.5000 0.1466 ( 7396 PWs) bands (ev): -67.5468 -67.5468 -67.5468 -67.5468 -37.3454 -37.3454 -37.3454 -37.3454 -36.1945 -36.1945 -36.1943 -36.1943 -36.0808 -36.0808 -36.0806 -36.0806 2.2604 2.2604 2.2604 2.2604 5.0825 5.0825 5.0825 5.0825 5.8714 5.8714 5.8714 5.8714 7.1717 7.1717 7.1717 7.1717 8.4743 8.4743 8.4744 8.4744 9.1840 9.1840 9.1841 9.1841 10.3879 10.3879 10.3879 10.3879 10.8932 10.8932 10.8933 10.8933 12.1058 12.1058 12.1058 12.1058 k = 0.5000 0.5000 0.1588 ( 7404 PWs) bands (ev): -67.5473 -67.5473 -67.5473 -67.5473 -37.3454 -37.3454 -37.3454 -37.3454 -36.1945 -36.1945 -36.1943 -36.1943 -36.0808 -36.0808 -36.0806 -36.0806 2.2637 2.2637 2.2637 2.2637 5.1160 5.1160 5.1160 5.1160 5.8507 5.8507 5.8507 5.8507 7.0886 7.0886 7.0886 7.0886 8.4902 8.4902 8.4902 8.4902 9.2015 9.2015 9.2016 9.2016 10.3879 10.3879 10.3879 10.3879 10.8866 10.8866 10.8867 10.8867 12.1556 12.1556 12.1557 12.1557 k = 0.5000 0.5000 0.1710 ( 7408 PWs) bands (ev): -67.5475 -67.5475 -67.5475 -67.5475 -37.3454 -37.3454 -37.3454 -37.3454 -36.1945 -36.1945 -36.1943 -36.1943 -36.0808 -36.0808 -36.0806 -36.0806 2.2670 2.2670 2.2670 2.2670 5.1518 5.1518 5.1518 5.1518 5.8299 5.8299 5.8299 5.8299 7.0049 7.0049 7.0049 7.0049 8.5051 8.5051 8.5051 8.5051 9.2170 9.2170 9.2170 9.2170 10.3846 10.3846 10.3846 10.3846 10.8879 10.8879 10.8879 10.8879 12.2088 12.2088 12.2089 12.2089 k = 0.5000 0.5000 0.1832 ( 7408 PWs) bands (ev): -67.5475 -67.5475 -67.5475 -67.5475 -37.3454 -37.3454 -37.3454 -37.3454 -36.1945 -36.1945 -36.1943 -36.1943 -36.0808 -36.0808 -36.0806 -36.0806 2.2704 2.2704 2.2704 2.2704 5.1900 5.1900 5.1900 5.1900 5.8098 5.8098 5.8098 5.8098 6.9212 6.9212 6.9212 6.9212 8.5202 8.5202 8.5202 8.5202 9.2314 9.2314 9.2315 9.2315 10.3847 10.3847 10.3847 10.3847 10.8879 10.8879 10.8879 10.8879 12.2570 12.2570 12.2570 12.2570 k = 0.5000 0.5000 0.1955 ( 7412 PWs) bands (ev): -67.5478 -67.5478 -67.5478 -67.5478 -37.3454 -37.3454 -37.3454 -37.3454 -36.1945 -36.1945 -36.1943 -36.1943 -36.0808 -36.0808 -36.0806 -36.0806 2.2736 2.2736 2.2736 2.2736 5.2304 5.2304 5.2304 5.2304 5.7901 5.7901 5.7901 5.7901 6.8380 6.8380 6.8380 6.8380 8.5338 8.5338 8.5339 8.5339 9.2434 9.2434 9.2434 9.2434 10.3847 10.3847 10.3847 10.3847 10.8880 10.8880 10.8880 10.8880 12.3022 12.3022 12.3023 12.3023 k = 0.5000 0.5000 0.2077 ( 7412 PWs) bands (ev): -67.5477 -67.5477 -67.5477 -67.5477 -37.3454 -37.3454 -37.3454 -37.3454 -36.1945 -36.1945 -36.1943 -36.1943 -36.0808 -36.0808 -36.0806 -36.0806 2.2768 2.2768 2.2768 2.2768 5.2729 5.2729 5.2729 5.2729 5.7716 5.7716 5.7716 5.7716 6.7556 6.7556 6.7556 6.7556 8.5474 8.5474 8.5475 8.5475 9.2550 9.2550 9.2550 9.2550 10.3848 10.3848 10.3848 10.3848 10.8881 10.8881 10.8882 10.8882 12.3444 12.3444 12.3444 12.3444 k = 0.5000 0.5000 0.2199 ( 7404 PWs) bands (ev): -67.5471 -67.5471 -67.5471 -67.5471 -37.3454 -37.3454 -37.3454 -37.3454 -36.1945 -36.1945 -36.1943 -36.1943 -36.0808 -36.0808 -36.0806 -36.0806 2.2798 2.2798 2.2798 2.2798 5.3172 5.3172 5.3172 5.3172 5.7542 5.7542 5.7542 5.7542 6.6746 6.6746 6.6746 6.6746 8.5601 8.5601 8.5602 8.5602 9.2686 9.2686 9.2687 9.2687 10.3850 10.3850 10.3850 10.3850 10.8910 10.8910 10.8910 10.8910 12.3837 12.3837 12.3838 12.3838 k = 0.5000 0.5000 0.2321 ( 7388 PWs) bands (ev): -67.5460 -67.5460 -67.5460 -67.5460 -37.3454 -37.3454 -37.3454 -37.3454 -36.1945 -36.1945 -36.1943 -36.1943 -36.0808 -36.0808 -36.0806 -36.0806 2.2827 2.2827 2.2827 2.2827 5.3631 5.3631 5.3631 5.3631 5.7382 5.7382 5.7382 5.7382 6.5954 6.5954 6.5954 6.5954 8.5724 8.5724 8.5724 8.5724 9.2808 9.2808 9.2809 9.2809 10.3859 10.3859 10.3859 10.3859 10.8976 10.8976 10.8977 10.8977 12.4241 12.4241 12.4242 12.4242 k = 0.5000 0.5000 0.2443 ( 7392 PWs) bands (ev): -67.5462 -67.5462 -67.5462 -67.5462 -37.3454 -37.3454 -37.3454 -37.3454 -36.1945 -36.1945 -36.1943 -36.1943 -36.0808 -36.0808 -36.0806 -36.0806 2.2854 2.2854 2.2854 2.2854 5.4101 5.4101 5.4101 5.4101 5.7236 5.7236 5.7236 5.7236 6.5185 6.5185 6.5185 6.5185 8.5828 8.5828 8.5828 8.5828 9.2867 9.2867 9.2868 9.2868 10.3860 10.3860 10.3860 10.3860 10.8978 10.8978 10.8978 10.8978 12.4528 12.4528 12.4529 12.4529 k = 0.5000 0.5000 0.2565 ( 7360 PWs) bands (ev): -67.5441 -67.5441 -67.5441 -67.5441 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1943 -36.1943 -36.0807 -36.0807 -36.0805 -36.0805 2.2878 2.2878 2.2878 2.2878 5.4580 5.4580 5.4580 5.4580 5.7107 5.7107 5.7107 5.7107 6.4448 6.4448 6.4448 6.4448 8.5927 8.5927 8.5927 8.5927 9.2974 9.2974 9.2975 9.2975 10.3908 10.3908 10.3908 10.3908 10.9136 10.9136 10.9136 10.9136 12.4867 12.4867 12.4868 12.4868 k = 0.5000 0.5000 0.2688 ( 7360 PWs) bands (ev): -67.5440 -67.5440 -67.5440 -67.5440 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1943 -36.1943 -36.0807 -36.0807 -36.0805 -36.0805 2.2898 2.2898 2.2898 2.2898 5.5053 5.5053 5.5053 5.5053 5.6997 5.6997 5.6997 5.6997 6.3750 6.3750 6.3750 6.3750 8.6007 8.6007 8.6007 8.6007 9.3030 9.3030 9.3030 9.3030 10.3909 10.3909 10.3909 10.3909 10.9137 10.9137 10.9137 10.9137 12.5092 12.5093 12.5093 12.5093 k = 0.5000 0.5000 0.2810 ( 7344 PWs) bands (ev): -67.5429 -67.5429 -67.5429 -67.5429 -37.3453 -37.3453 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2917 2.2917 2.2917 2.2917 5.5509 5.5509 5.5509 5.5509 5.6909 5.6909 5.6909 5.6909 6.3106 6.3106 6.3106 6.3106 8.6091 8.6091 8.6091 8.6091 9.3110 9.3110 9.3110 9.3110 10.3911 10.3911 10.3912 10.3912 10.9190 10.9190 10.9190 10.9190 12.5319 12.5319 12.5320 12.5320 k = 0.5000 0.5000 0.2932 ( 7352 PWs) bands (ev): -67.5435 -67.5435 -67.5435 -67.5435 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2931 2.2931 2.2931 2.2931 5.5924 5.5924 5.5924 5.5924 5.6844 5.6844 5.6844 5.6844 6.2538 6.2538 6.2538 6.2538 8.6144 8.6144 8.6144 8.6144 9.3126 9.3126 9.3127 9.3127 10.3912 10.3912 10.3912 10.3912 10.9154 10.9154 10.9154 10.9154 12.5424 12.5424 12.5425 12.5425 k = 0.5000 0.5000 0.3054 ( 7368 PWs) bands (ev): -67.5445 -67.5445 -67.5445 -67.5445 -37.3454 -37.3454 -37.3453 -37.3453 -36.1945 -36.1945 -36.1943 -36.1943 -36.0807 -36.0807 -36.0805 -36.0805 2.2939 2.2939 2.2939 2.2939 5.6259 5.6259 5.6259 5.6259 5.6807 5.6807 5.6808 5.6808 6.2079 6.2079 6.2079 6.2079 8.6152 8.6152 8.6152 8.6152 9.3139 9.3139 9.3140 9.3140 10.3898 10.3898 10.3898 10.3898 10.9100 10.9100 10.9100 10.9100 12.5510 12.5510 12.5511 12.5511 k = 0.5000 0.5000 0.3176 ( 7376 PWs) bands (ev): -67.5450 -67.5450 -67.5450 -67.5450 -37.3454 -37.3454 -37.3454 -37.3454 -36.1945 -36.1945 -36.1943 -36.1943 -36.0807 -36.0807 -36.0805 -36.0805 2.2944 2.2944 2.2944 2.2944 5.6467 5.6467 5.6467 5.6467 5.6816 5.6816 5.6816 5.6816 6.1771 6.1771 6.1771 6.1771 8.6154 8.6154 8.6154 8.6154 9.3131 9.3131 9.3131 9.3131 10.3892 10.3892 10.3892 10.3892 10.9071 10.9071 10.9071 10.9071 12.5595 12.5595 12.5596 12.5596 k = 0.5000 0.5000 0.3298 ( 7352 PWs) bands (ev): -67.5434 -67.5434 -67.5434 -67.5434 -37.3454 -37.3454 -37.3453 -37.3453 -36.1944 -36.1944 -36.1942 -36.1942 -36.0807 -36.0807 -36.0805 -36.0805 2.2947 2.2947 2.2948 2.2948 5.6529 5.6529 5.6529 5.6529 5.6840 5.6840 5.6840 5.6840 6.1662 6.1662 6.1662 6.1662 8.6189 8.6189 8.6189 8.6189 9.3174 9.3174 9.3175 9.3175 10.3943 10.3943 10.3943 10.3943 10.9091 10.9091 10.9091 10.9091 12.5695 12.5695 12.5695 12.5695 Writing output data file MnAlGe.save init_run : 2.14s CPU 2.26s WALL ( 1 calls) electrons : 187.43s CPU 189.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 187.42s CPU 189.89s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.14s WALL ( 368 calls) cegterg : 166.24s CPU 167.87s WALL ( 390 calls) Called by sum_band: Called by *egterg: h_psi : 106.72s CPU 108.41s WALL ( 6245 calls) s_psi : 5.53s CPU 5.62s WALL ( 6245 calls) g_psi : 0.44s CPU 0.40s WALL ( 5487 calls) cdiaghg : 44.39s CPU 44.93s WALL ( 5855 calls) cegterg:over : 9.06s CPU 9.03s WALL ( 5487 calls) cegterg:upda : 8.25s CPU 8.17s WALL ( 5487 calls) cegterg:last : 4.75s CPU 4.64s WALL ( 1126 calls) cdiaghg:chol : 2.53s CPU 2.59s WALL ( 5855 calls) cdiaghg:inve : 1.68s CPU 1.69s WALL ( 5855 calls) cdiaghg:para : 2.84s CPU 2.73s WALL ( 11710 calls) Called by h_psi: h_psi:vloc : 90.47s CPU 91.88s WALL ( 6245 calls) h_psi:vnl : 15.91s CPU 16.14s WALL ( 6245 calls) add_vuspsi : 8.29s CPU 8.34s WALL ( 6245 calls) General routines calbec : 7.59s CPU 7.79s WALL ( 6245 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 86.02s CPU 87.36s WALL ( 801072 calls) davcio : 0.24s CPU 0.37s WALL ( 736 calls) Parallel routines fft_scatter : 30.00s CPU 30.01s WALL ( 801087 calls) PWSCF : 3m33.71s CPU 3m49.00s WALL This run was terminated on: 19:31: 1 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=