Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 7:31 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: ./YClO.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 22 6 1857 806 130 Max 40 23 7 1863 833 141 Sum 1405 805 241 66915 29459 4877 bravais-lattice index = 14 lattice parameter (alat) = 7.3756 a.u. unit-cell volume = 678.1724 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.375601 celldm(2)= 1.000000 celldm(3)= 1.690238 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 1.690238 ) 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 0.591633 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 O 6.00 15.99940 O( 1.00) Cl 7.00 35.45300 Cl( 1.00) Y 11.00 88.90590 Y( 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= 359 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0027855 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0027855 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0027855 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0027855 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0027855 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0027855 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0027855 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0027855 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0027855 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0027855 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0027855 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0027855 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0027855 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0027855 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0027855 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0027855 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0027855 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0027855 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0027855 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0027855 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0027855 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0027855 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0027855 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0027855 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0027855 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0027855 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0027855 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0027855 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0027855 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0027855 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0027855 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0027855 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0027855 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0027855 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0027855 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0027855 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0027855 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0027855 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0027855 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0027855 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0027855 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0027855 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0027855 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0027855 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0027855 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0027855 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0027855 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0027855 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0027855 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0027855 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0027855 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0027855 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0027855 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0027855 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0027855 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0027855 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0027855 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0027855 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0027855 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0027855 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0027855 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0027855 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0027855 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0027855 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0027855 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0027855 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0027855 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0027855 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0027855 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0027855 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0027855 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0027855 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0027855 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0027855 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0027855 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0027855 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0027855 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0027855 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0027855 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0027855 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 86) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0027855 k( 87) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0027855 k( 88) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0027855 k( 89) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0027855 k( 90) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0027855 k( 91) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0027855 k( 92) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0027855 k( 93) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0027855 k( 94) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0027855 k( 95) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0027855 k( 96) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0027855 k( 97) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0027855 k( 98) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0027855 k( 99) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0027855 k( 100) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0027855 k( 101) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0027855 k( 102) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0027855 k( 103) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0027855 k( 104) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027855 k( 105) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0027855 k( 106) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0027855 k( 107) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0027855 k( 108) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0027855 k( 109) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0027855 k( 110) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0027855 k( 111) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0027855 k( 112) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0027855 k( 113) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0027855 k( 114) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0027855 k( 115) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0027855 k( 116) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0027855 k( 117) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0027855 k( 118) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0027855 k( 119) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0027855 k( 120) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0027855 k( 121) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0027855 k( 122) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0027855 k( 123) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027855 k( 124) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0027855 k( 125) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0027855 k( 126) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0027855 k( 127) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0027855 k( 128) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0027855 k( 129) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0027855 k( 130) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0027855 k( 131) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0027855 k( 132) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0027855 k( 133) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0027855 k( 134) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0027855 k( 135) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0027855 k( 136) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0027855 k( 137) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0027855 k( 138) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0027855 k( 139) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0027855 k( 140) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0027855 k( 141) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0027855 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 144) = ( 0.0000000 0.0000000 0.0123257), wk = 0.0027855 k( 145) = ( 0.0000000 0.0000000 0.0246514), wk = 0.0027855 k( 146) = ( 0.0000000 0.0000000 0.0369770), wk = 0.0027855 k( 147) = ( 0.0000000 0.0000000 0.0493027), wk = 0.0027855 k( 148) = ( 0.0000000 0.0000000 0.0616284), wk = 0.0027855 k( 149) = ( 0.0000000 0.0000000 0.0739541), wk = 0.0027855 k( 150) = ( 0.0000000 0.0000000 0.0862797), wk = 0.0027855 k( 151) = ( 0.0000000 0.0000000 0.0986054), wk = 0.0027855 k( 152) = ( 0.0000000 0.0000000 0.1109311), wk = 0.0027855 k( 153) = ( 0.0000000 0.0000000 0.1232568), wk = 0.0027855 k( 154) = ( 0.0000000 0.0000000 0.1355825), wk = 0.0027855 k( 155) = ( 0.0000000 0.0000000 0.1479081), wk = 0.0027855 k( 156) = ( 0.0000000 0.0000000 0.1602338), wk = 0.0027855 k( 157) = ( 0.0000000 0.0000000 0.1725595), wk = 0.0027855 k( 158) = ( 0.0000000 0.0000000 0.1848852), wk = 0.0027855 k( 159) = ( 0.0000000 0.0000000 0.1972109), wk = 0.0027855 k( 160) = ( 0.0000000 0.0000000 0.2095365), wk = 0.0027855 k( 161) = ( 0.0000000 0.0000000 0.2218622), wk = 0.0027855 k( 162) = ( 0.0000000 0.0000000 0.2341879), wk = 0.0027855 k( 163) = ( 0.0000000 0.0000000 0.2465136), wk = 0.0027855 k( 164) = ( 0.0000000 0.0000000 0.2588392), wk = 0.0027855 k( 165) = ( 0.0000000 0.0000000 0.2711649), wk = 0.0027855 k( 166) = ( 0.0000000 0.0000000 0.2834906), wk = 0.0027855 k( 167) = ( 0.0000000 0.0000000 0.2958163), wk = 0.0027855 k( 168) = ( 0.0000000 0.0000000 0.2958163), wk = 0.0027855 k( 169) = ( 0.0000000 0.0121951 0.2958163), wk = 0.0027855 k( 170) = ( 0.0000000 0.0243902 0.2958163), wk = 0.0027855 k( 171) = ( 0.0000000 0.0365854 0.2958163), wk = 0.0027855 k( 172) = ( 0.0000000 0.0487805 0.2958163), wk = 0.0027855 k( 173) = ( 0.0000000 0.0609756 0.2958163), wk = 0.0027855 k( 174) = ( 0.0000000 0.0731707 0.2958163), wk = 0.0027855 k( 175) = ( 0.0000000 0.0853658 0.2958163), wk = 0.0027855 k( 176) = ( 0.0000000 0.0975610 0.2958163), wk = 0.0027855 k( 177) = ( 0.0000000 0.1097561 0.2958163), wk = 0.0027855 k( 178) = ( 0.0000000 0.1219512 0.2958163), wk = 0.0027855 k( 179) = ( 0.0000000 0.1341463 0.2958163), wk = 0.0027855 k( 180) = ( 0.0000000 0.1463415 0.2958163), wk = 0.0027855 k( 181) = ( 0.0000000 0.1585366 0.2958163), wk = 0.0027855 k( 182) = ( 0.0000000 0.1707317 0.2958163), wk = 0.0027855 k( 183) = ( 0.0000000 0.1829268 0.2958163), wk = 0.0027855 k( 184) = ( 0.0000000 0.1951219 0.2958163), wk = 0.0027855 k( 185) = ( 0.0000000 0.2073171 0.2958163), wk = 0.0027855 k( 186) = ( 0.0000000 0.2195122 0.2958163), wk = 0.0027855 k( 187) = ( 0.0000000 0.2317073 0.2958163), wk = 0.0027855 k( 188) = ( 0.0000000 0.2439024 0.2958163), wk = 0.0027855 k( 189) = ( 0.0000000 0.2560976 0.2958163), wk = 0.0027855 k( 190) = ( 0.0000000 0.2682927 0.2958163), wk = 0.0027855 k( 191) = ( 0.0000000 0.2804878 0.2958163), wk = 0.0027855 k( 192) = ( 0.0000000 0.2926829 0.2958163), wk = 0.0027855 k( 193) = ( 0.0000000 0.3048781 0.2958163), wk = 0.0027855 k( 194) = ( 0.0000000 0.3170732 0.2958163), wk = 0.0027855 k( 195) = ( 0.0000000 0.3292683 0.2958163), wk = 0.0027855 k( 196) = ( 0.0000000 0.3414634 0.2958163), wk = 0.0027855 k( 197) = ( 0.0000000 0.3536585 0.2958163), wk = 0.0027855 k( 198) = ( 0.0000000 0.3658537 0.2958163), wk = 0.0027855 k( 199) = ( 0.0000000 0.3780488 0.2958163), wk = 0.0027855 k( 200) = ( 0.0000000 0.3902439 0.2958163), wk = 0.0027855 k( 201) = ( 0.0000000 0.4024390 0.2958163), wk = 0.0027855 k( 202) = ( 0.0000000 0.4146341 0.2958163), wk = 0.0027855 k( 203) = ( 0.0000000 0.4268293 0.2958163), wk = 0.0027855 k( 204) = ( 0.0000000 0.4390244 0.2958163), wk = 0.0027855 k( 205) = ( 0.0000000 0.4512195 0.2958163), wk = 0.0027855 k( 206) = ( 0.0000000 0.4634146 0.2958163), wk = 0.0027855 k( 207) = ( 0.0000000 0.4756098 0.2958163), wk = 0.0027855 k( 208) = ( 0.0000000 0.4878049 0.2958163), wk = 0.0027855 k( 209) = ( 0.0000000 0.5000000 0.2958163), wk = 0.0027855 k( 210) = ( 0.0000000 0.5000000 0.2958163), wk = 0.0027855 k( 211) = ( 0.0121951 0.5000000 0.2958163), wk = 0.0027855 k( 212) = ( 0.0243902 0.5000000 0.2958163), wk = 0.0027855 k( 213) = ( 0.0365854 0.5000000 0.2958163), wk = 0.0027855 k( 214) = ( 0.0487805 0.5000000 0.2958163), wk = 0.0027855 k( 215) = ( 0.0609756 0.5000000 0.2958163), wk = 0.0027855 k( 216) = ( 0.0731707 0.5000000 0.2958163), wk = 0.0027855 k( 217) = ( 0.0853658 0.5000000 0.2958163), wk = 0.0027855 k( 218) = ( 0.0975610 0.5000000 0.2958163), wk = 0.0027855 k( 219) = ( 0.1097561 0.5000000 0.2958163), wk = 0.0027855 k( 220) = ( 0.1219512 0.5000000 0.2958163), wk = 0.0027855 k( 221) = ( 0.1341463 0.5000000 0.2958163), wk = 0.0027855 k( 222) = ( 0.1463415 0.5000000 0.2958163), wk = 0.0027855 k( 223) = ( 0.1585366 0.5000000 0.2958163), wk = 0.0027855 k( 224) = ( 0.1707317 0.5000000 0.2958163), wk = 0.0027855 k( 225) = ( 0.1829268 0.5000000 0.2958163), wk = 0.0027855 k( 226) = ( 0.1951219 0.5000000 0.2958163), wk = 0.0027855 k( 227) = ( 0.2073171 0.5000000 0.2958163), wk = 0.0027855 k( 228) = ( 0.2195122 0.5000000 0.2958163), wk = 0.0027855 k( 229) = ( 0.2317073 0.5000000 0.2958163), wk = 0.0027855 k( 230) = ( 0.2439024 0.5000000 0.2958163), wk = 0.0027855 k( 231) = ( 0.2560976 0.5000000 0.2958163), wk = 0.0027855 k( 232) = ( 0.2682927 0.5000000 0.2958163), wk = 0.0027855 k( 233) = ( 0.2804878 0.5000000 0.2958163), wk = 0.0027855 k( 234) = ( 0.2926829 0.5000000 0.2958163), wk = 0.0027855 k( 235) = ( 0.3048781 0.5000000 0.2958163), wk = 0.0027855 k( 236) = ( 0.3170732 0.5000000 0.2958163), wk = 0.0027855 k( 237) = ( 0.3292683 0.5000000 0.2958163), wk = 0.0027855 k( 238) = ( 0.3414634 0.5000000 0.2958163), wk = 0.0027855 k( 239) = ( 0.3536585 0.5000000 0.2958163), wk = 0.0027855 k( 240) = ( 0.3658537 0.5000000 0.2958163), wk = 0.0027855 k( 241) = ( 0.3780488 0.5000000 0.2958163), wk = 0.0027855 k( 242) = ( 0.3902439 0.5000000 0.2958163), wk = 0.0027855 k( 243) = ( 0.4024390 0.5000000 0.2958163), wk = 0.0027855 k( 244) = ( 0.4146341 0.5000000 0.2958163), wk = 0.0027855 k( 245) = ( 0.4268293 0.5000000 0.2958163), wk = 0.0027855 k( 246) = ( 0.4390244 0.5000000 0.2958163), wk = 0.0027855 k( 247) = ( 0.4512195 0.5000000 0.2958163), wk = 0.0027855 k( 248) = ( 0.4634146 0.5000000 0.2958163), wk = 0.0027855 k( 249) = ( 0.4756098 0.5000000 0.2958163), wk = 0.0027855 k( 250) = ( 0.4878049 0.5000000 0.2958163), wk = 0.0027855 k( 251) = ( 0.5000000 0.5000000 0.2958163), wk = 0.0027855 k( 252) = ( 0.5000000 0.5000000 0.2958163), wk = 0.0027855 k( 253) = ( 0.4912281 0.4912281 0.2958163), wk = 0.0027855 k( 254) = ( 0.4824561 0.4824561 0.2958163), wk = 0.0027855 k( 255) = ( 0.4736842 0.4736842 0.2958163), wk = 0.0027855 k( 256) = ( 0.4649123 0.4649123 0.2958163), wk = 0.0027855 k( 257) = ( 0.4561404 0.4561403 0.2958163), wk = 0.0027855 k( 258) = ( 0.4473684 0.4473684 0.2958163), wk = 0.0027855 k( 259) = ( 0.4385965 0.4385965 0.2958163), wk = 0.0027855 k( 260) = ( 0.4298246 0.4298246 0.2958163), wk = 0.0027855 k( 261) = ( 0.4210526 0.4210526 0.2958163), wk = 0.0027855 k( 262) = ( 0.4122807 0.4122807 0.2958163), wk = 0.0027855 k( 263) = ( 0.4035088 0.4035088 0.2958163), wk = 0.0027855 k( 264) = ( 0.3947368 0.3947368 0.2958163), wk = 0.0027855 k( 265) = ( 0.3859649 0.3859649 0.2958163), wk = 0.0027855 k( 266) = ( 0.3771930 0.3771930 0.2958163), wk = 0.0027855 k( 267) = ( 0.3684211 0.3684210 0.2958163), wk = 0.0027855 k( 268) = ( 0.3596491 0.3596491 0.2958163), wk = 0.0027855 k( 269) = ( 0.3508772 0.3508772 0.2958163), wk = 0.0027855 k( 270) = ( 0.3421053 0.3421053 0.2958163), wk = 0.0027855 k( 271) = ( 0.3333333 0.3333333 0.2958163), wk = 0.0027855 k( 272) = ( 0.3245614 0.3245614 0.2958163), wk = 0.0027855 k( 273) = ( 0.3157895 0.3157895 0.2958163), wk = 0.0027855 k( 274) = ( 0.3070175 0.3070175 0.2958163), wk = 0.0027855 k( 275) = ( 0.2982456 0.2982456 0.2958163), wk = 0.0027855 k( 276) = ( 0.2894737 0.2894737 0.2958163), wk = 0.0027855 k( 277) = ( 0.2807018 0.2807017 0.2958163), wk = 0.0027855 k( 278) = ( 0.2719298 0.2719298 0.2958163), wk = 0.0027855 k( 279) = ( 0.2631579 0.2631579 0.2958163), wk = 0.0027855 k( 280) = ( 0.2543860 0.2543860 0.2958163), wk = 0.0027855 k( 281) = ( 0.2456140 0.2456140 0.2958163), wk = 0.0027855 k( 282) = ( 0.2368421 0.2368421 0.2958163), wk = 0.0027855 k( 283) = ( 0.2280702 0.2280702 0.2958163), wk = 0.0027855 k( 284) = ( 0.2192983 0.2192982 0.2958163), wk = 0.0027855 k( 285) = ( 0.2105263 0.2105263 0.2958163), wk = 0.0027855 k( 286) = ( 0.2017544 0.2017544 0.2958163), wk = 0.0027855 k( 287) = ( 0.1929825 0.1929825 0.2958163), wk = 0.0027855 k( 288) = ( 0.1842105 0.1842105 0.2958163), wk = 0.0027855 k( 289) = ( 0.1754386 0.1754386 0.2958163), wk = 0.0027855 k( 290) = ( 0.1666667 0.1666667 0.2958163), wk = 0.0027855 k( 291) = ( 0.1578947 0.1578947 0.2958163), wk = 0.0027855 k( 292) = ( 0.1491228 0.1491228 0.2958163), wk = 0.0027855 k( 293) = ( 0.1403509 0.1403509 0.2958163), wk = 0.0027855 k( 294) = ( 0.1315790 0.1315790 0.2958163), wk = 0.0027855 k( 295) = ( 0.1228070 0.1228070 0.2958163), wk = 0.0027855 k( 296) = ( 0.1140351 0.1140351 0.2958163), wk = 0.0027855 k( 297) = ( 0.1052632 0.1052632 0.2958163), wk = 0.0027855 k( 298) = ( 0.0964912 0.0964912 0.2958163), wk = 0.0027855 k( 299) = ( 0.0877193 0.0877193 0.2958163), wk = 0.0027855 k( 300) = ( 0.0789474 0.0789474 0.2958163), wk = 0.0027855 k( 301) = ( 0.0701754 0.0701754 0.2958163), wk = 0.0027855 k( 302) = ( 0.0614035 0.0614035 0.2958163), wk = 0.0027855 k( 303) = ( 0.0526316 0.0526316 0.2958163), wk = 0.0027855 k( 304) = ( 0.0438597 0.0438596 0.2958163), wk = 0.0027855 k( 305) = ( 0.0350877 0.0350877 0.2958163), wk = 0.0027855 k( 306) = ( 0.0263158 0.0263158 0.2958163), wk = 0.0027855 k( 307) = ( 0.0175439 0.0175439 0.2958163), wk = 0.0027855 k( 308) = ( 0.0087719 0.0087719 0.2958163), wk = 0.0027855 k( 309) = ( 0.0000000 0.0000000 0.2958163), wk = 0.0027855 k( 310) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 311) = ( 0.0000000 0.5000000 0.0123257), wk = 0.0027855 k( 312) = ( 0.0000000 0.5000000 0.0246514), wk = 0.0027855 k( 313) = ( 0.0000000 0.5000000 0.0369770), wk = 0.0027855 k( 314) = ( 0.0000000 0.5000000 0.0493027), wk = 0.0027855 k( 315) = ( 0.0000000 0.5000000 0.0616284), wk = 0.0027855 k( 316) = ( 0.0000000 0.5000000 0.0739541), wk = 0.0027855 k( 317) = ( 0.0000000 0.5000000 0.0862797), wk = 0.0027855 k( 318) = ( 0.0000000 0.5000000 0.0986054), wk = 0.0027855 k( 319) = ( 0.0000000 0.5000000 0.1109311), wk = 0.0027855 k( 320) = ( 0.0000000 0.5000000 0.1232568), wk = 0.0027855 k( 321) = ( 0.0000000 0.5000000 0.1355825), wk = 0.0027855 k( 322) = ( 0.0000000 0.5000000 0.1479081), wk = 0.0027855 k( 323) = ( 0.0000000 0.5000000 0.1602338), wk = 0.0027855 k( 324) = ( 0.0000000 0.5000000 0.1725595), wk = 0.0027855 k( 325) = ( 0.0000000 0.5000000 0.1848852), wk = 0.0027855 k( 326) = ( 0.0000000 0.5000000 0.1972109), wk = 0.0027855 k( 327) = ( 0.0000000 0.5000000 0.2095365), wk = 0.0027855 k( 328) = ( 0.0000000 0.5000000 0.2218622), wk = 0.0027855 k( 329) = ( 0.0000000 0.5000000 0.2341879), wk = 0.0027855 k( 330) = ( 0.0000000 0.5000000 0.2465136), wk = 0.0027855 k( 331) = ( 0.0000000 0.5000000 0.2588392), wk = 0.0027855 k( 332) = ( 0.0000000 0.5000000 0.2711649), wk = 0.0027855 k( 333) = ( 0.0000000 0.5000000 0.2834906), wk = 0.0027855 k( 334) = ( 0.0000000 0.5000000 0.2958163), wk = 0.0027855 k( 335) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 336) = ( 0.5000000 0.5000000 0.0123257), wk = 0.0027855 k( 337) = ( 0.5000000 0.5000000 0.0246514), wk = 0.0027855 k( 338) = ( 0.5000000 0.5000000 0.0369770), wk = 0.0027855 k( 339) = ( 0.5000000 0.5000000 0.0493027), wk = 0.0027855 k( 340) = ( 0.5000000 0.5000000 0.0616284), wk = 0.0027855 k( 341) = ( 0.5000000 0.5000000 0.0739541), wk = 0.0027855 k( 342) = ( 0.5000000 0.5000000 0.0862797), wk = 0.0027855 k( 343) = ( 0.5000000 0.5000000 0.0986054), wk = 0.0027855 k( 344) = ( 0.5000000 0.5000000 0.1109311), wk = 0.0027855 k( 345) = ( 0.5000000 0.5000000 0.1232568), wk = 0.0027855 k( 346) = ( 0.5000000 0.5000000 0.1355825), wk = 0.0027855 k( 347) = ( 0.5000000 0.5000000 0.1479081), wk = 0.0027855 k( 348) = ( 0.5000000 0.5000000 0.1602338), wk = 0.0027855 k( 349) = ( 0.5000000 0.5000000 0.1725595), wk = 0.0027855 k( 350) = ( 0.5000000 0.5000000 0.1848852), wk = 0.0027855 k( 351) = ( 0.5000000 0.5000000 0.1972109), wk = 0.0027855 k( 352) = ( 0.5000000 0.5000000 0.2095365), wk = 0.0027855 k( 353) = ( 0.5000000 0.5000000 0.2218622), wk = 0.0027855 k( 354) = ( 0.5000000 0.5000000 0.2341879), wk = 0.0027855 k( 355) = ( 0.5000000 0.5000000 0.2465136), wk = 0.0027855 k( 356) = ( 0.5000000 0.5000000 0.2588392), wk = 0.0027855 k( 357) = ( 0.5000000 0.5000000 0.2711649), wk = 0.0027855 k( 358) = ( 0.5000000 0.5000000 0.2834906), wk = 0.0027855 k( 359) = ( 0.5000000 0.5000000 0.2958163), wk = 0.0027855 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0027855 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0027855 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0027855 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0027855 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0027855 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0027855 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0027855 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0027855 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0027855 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0027855 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0027855 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0027855 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0027855 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0027855 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0027855 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0027855 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0027855 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0027855 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0027855 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0027855 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0027855 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0027855 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0027855 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0027855 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0027855 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0027855 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0027855 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0027855 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0027855 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0027855 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0027855 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0027855 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0027855 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0027855 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0027855 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0027855 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0027855 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0027855 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0027855 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0027855 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0027855 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0027855 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0027855 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0027855 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0027855 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0027855 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0027855 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0027855 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0027855 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0027855 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0027855 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0027855 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0027855 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0027855 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0027855 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0027855 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0027855 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0027855 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0027855 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0027855 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0027855 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0027855 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0027855 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0027855 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0027855 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0027855 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0027855 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0027855 k( 72) = ( 0.3536585 0.5000000 0.0000000), wk = 0.0027855 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0027855 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0027855 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0027855 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0027855 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0027855 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0027855 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0027855 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0027855 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0027855 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0027855 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0027855 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027855 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027855 k( 86) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0027855 k( 87) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0027855 k( 88) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0027855 k( 89) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0027855 k( 90) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0027855 k( 91) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0027855 k( 92) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0027855 k( 93) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0027855 k( 94) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0027855 k( 95) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0027855 k( 96) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0027855 k( 97) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0027855 k( 98) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0027855 k( 99) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0027855 k( 100) = ( 0.3684211 0.3684211 -0.0000000), wk = 0.0027855 k( 101) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0027855 k( 102) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0027855 k( 103) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0027855 k( 104) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027855 k( 105) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0027855 k( 106) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0027855 k( 107) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0027855 k( 108) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0027855 k( 109) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0027855 k( 110) = ( 0.2807018 0.2807018 -0.0000000), wk = 0.0027855 k( 111) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0027855 k( 112) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0027855 k( 113) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0027855 k( 114) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0027855 k( 115) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0027855 k( 116) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0027855 k( 117) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0027855 k( 118) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0027855 k( 119) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0027855 k( 120) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0027855 k( 121) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0027855 k( 122) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0027855 k( 123) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027855 k( 124) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0027855 k( 125) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0027855 k( 126) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0027855 k( 127) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0027855 k( 128) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0027855 k( 129) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0027855 k( 130) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0027855 k( 131) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0027855 k( 132) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0027855 k( 133) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0027855 k( 134) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0027855 k( 135) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0027855 k( 136) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0027855 k( 137) = ( 0.0438597 0.0438597 -0.0000000), wk = 0.0027855 k( 138) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0027855 k( 139) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0027855 k( 140) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0027855 k( 141) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0027855 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 144) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0027855 k( 145) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0027855 k( 146) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0027855 k( 147) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0027855 k( 148) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0027855 k( 149) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027855 k( 150) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0027855 k( 151) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027855 k( 152) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0027855 k( 153) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0027855 k( 154) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0027855 k( 155) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027855 k( 156) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0027855 k( 157) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0027855 k( 158) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0027855 k( 159) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027855 k( 160) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0027855 k( 161) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027855 k( 162) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0027855 k( 163) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0027855 k( 164) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0027855 k( 165) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0027855 k( 166) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0027855 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027855 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027855 k( 169) = ( 0.0000000 0.0121951 0.5000000), wk = 0.0027855 k( 170) = ( 0.0000000 0.0243902 0.5000000), wk = 0.0027855 k( 171) = ( 0.0000000 0.0365854 0.5000000), wk = 0.0027855 k( 172) = ( 0.0000000 0.0487805 0.5000000), wk = 0.0027855 k( 173) = ( 0.0000000 0.0609756 0.5000000), wk = 0.0027855 k( 174) = ( 0.0000000 0.0731707 0.5000000), wk = 0.0027855 k( 175) = ( 0.0000000 0.0853658 0.5000000), wk = 0.0027855 k( 176) = ( 0.0000000 0.0975610 0.5000000), wk = 0.0027855 k( 177) = ( 0.0000000 0.1097561 0.5000000), wk = 0.0027855 k( 178) = ( 0.0000000 0.1219512 0.5000000), wk = 0.0027855 k( 179) = ( 0.0000000 0.1341463 0.5000000), wk = 0.0027855 k( 180) = ( 0.0000000 0.1463415 0.5000000), wk = 0.0027855 k( 181) = ( 0.0000000 0.1585366 0.5000000), wk = 0.0027855 k( 182) = ( 0.0000000 0.1707317 0.5000000), wk = 0.0027855 k( 183) = ( 0.0000000 0.1829268 0.5000000), wk = 0.0027855 k( 184) = ( 0.0000000 0.1951219 0.5000000), wk = 0.0027855 k( 185) = ( 0.0000000 0.2073171 0.5000000), wk = 0.0027855 k( 186) = ( 0.0000000 0.2195122 0.5000000), wk = 0.0027855 k( 187) = ( 0.0000000 0.2317073 0.5000000), wk = 0.0027855 k( 188) = ( 0.0000000 0.2439024 0.5000000), wk = 0.0027855 k( 189) = ( 0.0000000 0.2560976 0.5000000), wk = 0.0027855 k( 190) = ( 0.0000000 0.2682927 0.5000000), wk = 0.0027855 k( 191) = ( 0.0000000 0.2804878 0.5000000), wk = 0.0027855 k( 192) = ( 0.0000000 0.2926829 0.5000000), wk = 0.0027855 k( 193) = ( 0.0000000 0.3048781 0.5000000), wk = 0.0027855 k( 194) = ( 0.0000000 0.3170732 0.5000000), wk = 0.0027855 k( 195) = ( 0.0000000 0.3292683 0.5000000), wk = 0.0027855 k( 196) = ( 0.0000000 0.3414634 0.5000000), wk = 0.0027855 k( 197) = ( 0.0000000 0.3536585 0.5000000), wk = 0.0027855 k( 198) = ( 0.0000000 0.3658537 0.5000000), wk = 0.0027855 k( 199) = ( 0.0000000 0.3780488 0.5000000), wk = 0.0027855 k( 200) = ( 0.0000000 0.3902439 0.5000000), wk = 0.0027855 k( 201) = ( 0.0000000 0.4024390 0.5000000), wk = 0.0027855 k( 202) = ( 0.0000000 0.4146341 0.5000000), wk = 0.0027855 k( 203) = ( 0.0000000 0.4268293 0.5000000), wk = 0.0027855 k( 204) = ( 0.0000000 0.4390244 0.5000000), wk = 0.0027855 k( 205) = ( 0.0000000 0.4512195 0.5000000), wk = 0.0027855 k( 206) = ( 0.0000000 0.4634146 0.5000000), wk = 0.0027855 k( 207) = ( 0.0000000 0.4756098 0.5000000), wk = 0.0027855 k( 208) = ( 0.0000000 0.4878049 0.5000000), wk = 0.0027855 k( 209) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027855 k( 210) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027855 k( 211) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0027855 k( 212) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0027855 k( 213) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0027855 k( 214) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0027855 k( 215) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0027855 k( 216) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0027855 k( 217) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0027855 k( 218) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0027855 k( 219) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0027855 k( 220) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0027855 k( 221) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0027855 k( 222) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0027855 k( 223) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0027855 k( 224) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0027855 k( 225) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0027855 k( 226) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0027855 k( 227) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0027855 k( 228) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0027855 k( 229) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0027855 k( 230) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0027855 k( 231) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0027855 k( 232) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0027855 k( 233) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0027855 k( 234) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0027855 k( 235) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0027855 k( 236) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0027855 k( 237) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0027855 k( 238) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0027855 k( 239) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0027855 k( 240) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0027855 k( 241) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0027855 k( 242) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0027855 k( 243) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0027855 k( 244) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0027855 k( 245) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0027855 k( 246) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0027855 k( 247) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0027855 k( 248) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0027855 k( 249) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0027855 k( 250) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0027855 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 253) = ( 0.4912281 0.4912281 0.5000000), wk = 0.0027855 k( 254) = ( 0.4824561 0.4824561 0.5000000), wk = 0.0027855 k( 255) = ( 0.4736842 0.4736842 0.5000000), wk = 0.0027855 k( 256) = ( 0.4649123 0.4649123 0.5000000), wk = 0.0027855 k( 257) = ( 0.4561404 0.4561404 0.5000000), wk = 0.0027855 k( 258) = ( 0.4473684 0.4473684 0.5000000), wk = 0.0027855 k( 259) = ( 0.4385965 0.4385965 0.5000000), wk = 0.0027855 k( 260) = ( 0.4298246 0.4298246 0.5000000), wk = 0.0027855 k( 261) = ( 0.4210526 0.4210526 0.5000000), wk = 0.0027855 k( 262) = ( 0.4122807 0.4122807 0.5000000), wk = 0.0027855 k( 263) = ( 0.4035088 0.4035088 0.5000000), wk = 0.0027855 k( 264) = ( 0.3947368 0.3947368 0.5000000), wk = 0.0027855 k( 265) = ( 0.3859649 0.3859649 0.5000000), wk = 0.0027855 k( 266) = ( 0.3771930 0.3771930 0.5000000), wk = 0.0027855 k( 267) = ( 0.3684211 0.3684211 0.5000000), wk = 0.0027855 k( 268) = ( 0.3596491 0.3596491 0.5000000), wk = 0.0027855 k( 269) = ( 0.3508772 0.3508772 0.5000000), wk = 0.0027855 k( 270) = ( 0.3421053 0.3421053 0.5000000), wk = 0.0027855 k( 271) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027855 k( 272) = ( 0.3245614 0.3245614 0.5000000), wk = 0.0027855 k( 273) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0027855 k( 274) = ( 0.3070175 0.3070175 0.5000000), wk = 0.0027855 k( 275) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0027855 k( 276) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0027855 k( 277) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0027855 k( 278) = ( 0.2719298 0.2719298 0.5000000), wk = 0.0027855 k( 279) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0027855 k( 280) = ( 0.2543860 0.2543860 0.5000000), wk = 0.0027855 k( 281) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0027855 k( 282) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0027855 k( 283) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0027855 k( 284) = ( 0.2192983 0.2192983 0.5000000), wk = 0.0027855 k( 285) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0027855 k( 286) = ( 0.2017544 0.2017544 0.5000000), wk = 0.0027855 k( 287) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0027855 k( 288) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0027855 k( 289) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0027855 k( 290) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027855 k( 291) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0027855 k( 292) = ( 0.1491228 0.1491228 0.5000000), wk = 0.0027855 k( 293) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0027855 k( 294) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0027855 k( 295) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0027855 k( 296) = ( 0.1140351 0.1140351 0.5000000), wk = 0.0027855 k( 297) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0027855 k( 298) = ( 0.0964912 0.0964912 0.5000000), wk = 0.0027855 k( 299) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0027855 k( 300) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0027855 k( 301) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0027855 k( 302) = ( 0.0614035 0.0614035 0.5000000), wk = 0.0027855 k( 303) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0027855 k( 304) = ( 0.0438597 0.0438597 0.5000000), wk = 0.0027855 k( 305) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0027855 k( 306) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0027855 k( 307) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0027855 k( 308) = ( 0.0087719 0.0087719 0.5000000), wk = 0.0027855 k( 309) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027855 k( 310) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 311) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0027855 k( 312) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0027855 k( 313) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0027855 k( 314) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0027855 k( 315) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0027855 k( 316) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0027855 k( 317) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0027855 k( 318) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027855 k( 319) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0027855 k( 320) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0027855 k( 321) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0027855 k( 322) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027855 k( 323) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0027855 k( 324) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0027855 k( 325) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0027855 k( 326) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027855 k( 327) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0027855 k( 328) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0027855 k( 329) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0027855 k( 330) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0027855 k( 331) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0027855 k( 332) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0027855 k( 333) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0027855 k( 334) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027855 k( 335) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027855 k( 336) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0027855 k( 337) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0027855 k( 338) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0027855 k( 339) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0027855 k( 340) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0027855 k( 341) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0027855 k( 342) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0027855 k( 343) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0027855 k( 344) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0027855 k( 345) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0027855 k( 346) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0027855 k( 347) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027855 k( 348) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0027855 k( 349) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0027855 k( 350) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0027855 k( 351) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0027855 k( 352) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0027855 k( 353) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0027855 k( 354) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0027855 k( 355) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0027855 k( 356) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0027855 k( 357) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0027855 k( 358) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0027855 k( 359) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 Dense grid: 66915 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 29459 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 210, 58) NL pseudopotentials 0.26 Mb ( 105, 164) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1859) G-vector shells 0.01 Mb ( 949) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 210, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./YClO.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.5 secs Computing kpt #: 11 total cpu time spent up to now is 9.0 secs Computing kpt #: 12 total cpu time spent up to now is 9.5 secs Computing kpt #: 13 total cpu time spent up to now is 10.0 secs Computing kpt #: 14 total cpu time spent up to now is 10.4 secs Computing kpt #: 15 total cpu time spent up to now is 10.9 secs Computing kpt #: 16 total cpu time spent up to now is 11.5 secs Computing kpt #: 17 total cpu time spent up to now is 12.0 secs Computing kpt #: 18 total cpu time spent up to now is 12.4 secs Computing kpt #: 19 total cpu time spent up to now is 13.0 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.6 secs Computing kpt #: 23 total cpu time spent up to now is 15.1 secs Computing kpt #: 24 total cpu time spent up to now is 15.7 secs Computing kpt #: 25 total cpu time spent up to now is 16.3 secs Computing kpt #: 26 total cpu time spent up to now is 16.9 secs Computing kpt #: 27 total cpu time spent up to now is 17.4 secs Computing kpt #: 28 total cpu time spent up to now is 18.0 secs Computing kpt #: 29 total cpu time spent up to now is 18.5 secs Computing kpt #: 30 total cpu time spent up to now is 19.0 secs Computing kpt #: 31 total cpu time spent up to now is 19.5 secs Computing kpt #: 32 total cpu time spent up to now is 20.0 secs Computing kpt #: 33 total cpu time spent up to now is 20.5 secs Computing kpt #: 34 total cpu time spent up to now is 21.1 secs Computing kpt #: 35 total cpu time spent up to now is 21.6 secs Computing kpt #: 36 total cpu time spent up to now is 22.2 secs Computing kpt #: 37 total cpu time spent up to now is 22.8 secs Computing kpt #: 38 total cpu time spent up to now is 23.4 secs Computing kpt #: 39 total cpu time spent up to now is 24.0 secs Computing kpt #: 40 total cpu time spent up to now is 24.6 secs Computing kpt #: 41 total cpu time spent up to now is 25.2 secs Computing kpt #: 42 total cpu time spent up to now is 25.7 secs Computing kpt #: 43 total cpu time spent up to now is 26.2 secs Computing kpt #: 44 total cpu time spent up to now is 26.8 secs Computing kpt #: 45 total cpu time spent up to now is 27.7 secs Computing kpt #: 46 total cpu time spent up to now is 28.4 secs Computing kpt #: 47 total cpu time spent up to now is 29.0 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 30.4 secs Computing kpt #: 49 total cpu time spent up to now is 31.0 secs Computing kpt #: 50 total cpu time spent up to now is 31.6 secs Computing kpt #: 51 total cpu time spent up to now is 32.1 secs Computing kpt #: 52 total cpu time spent up to now is 32.7 secs Computing kpt #: 53 total cpu time spent up to now is 33.3 secs Computing kpt #: 54 total cpu time spent up to now is 33.9 secs Computing kpt #: 55 total cpu time spent up to now is 34.5 secs Computing kpt #: 56 total cpu time spent up to now is 35.0 secs Computing kpt #: 57 total cpu time spent up to now is 35.6 secs Computing kpt #: 58 total cpu time spent up to now is 36.2 secs Computing kpt #: 59 total cpu time spent up to now is 36.8 secs Computing kpt #: 60 total cpu time spent up to now is 37.4 secs Computing kpt #: 61 total cpu time spent up to now is 37.9 secs Computing kpt #: 62 total cpu time spent up to now is 38.5 secs Computing kpt #: 63 total cpu time spent up to now is 39.0 secs Computing kpt #: 64 total cpu time spent up to now is 39.6 secs Computing kpt #: 65 total cpu time spent up to now is 40.2 secs Computing kpt #: 66 total cpu time spent up to now is 40.8 secs Computing kpt #: 67 total cpu time spent up to now is 41.3 secs Computing kpt #: 68 total cpu time spent up to now is 41.9 secs Computing kpt #: 69 total cpu time spent up to now is 42.5 secs Computing kpt #: 70 total cpu time spent up to now is 43.0 secs Computing kpt #: 71 total cpu time spent up to now is 43.6 secs Computing kpt #: 72 total cpu time spent up to now is 44.2 secs Computing kpt #: 73 total cpu time spent up to now is 44.8 secs Computing kpt #: 74 total cpu time spent up to now is 45.3 secs Computing kpt #: 75 total cpu time spent up to now is 45.9 secs Computing kpt #: 76 total cpu time spent up to now is 46.5 secs Computing kpt #: 77 total cpu time spent up to now is 47.1 secs Computing kpt #: 78 total cpu time spent up to now is 47.6 secs Computing kpt #: 79 total cpu time spent up to now is 48.2 secs Computing kpt #: 80 total cpu time spent up to now is 48.8 secs Computing kpt #: 81 total cpu time spent up to now is 49.4 secs Computing kpt #: 82 total cpu time spent up to now is 49.9 secs Computing kpt #: 83 total cpu time spent up to now is 50.5 secs Computing kpt #: 84 total cpu time spent up to now is 51.0 secs Computing kpt #: 85 total cpu time spent up to now is 51.5 secs Computing kpt #: 86 total cpu time spent up to now is 52.1 secs Computing kpt #: 87 total cpu time spent up to now is 52.7 secs Computing kpt #: 88 total cpu time spent up to now is 53.3 secs Computing kpt #: 89 total cpu time spent up to now is 53.8 secs Computing kpt #: 90 total cpu time spent up to now is 54.3 secs Computing kpt #: 91 total cpu time spent up to now is 54.8 secs Computing kpt #: 92 total cpu time spent up to now is 55.3 secs Computing kpt #: 93 total cpu time spent up to now is 55.8 secs Computing kpt #: 94 total cpu time spent up to now is 56.3 secs Computing kpt #: 95 total cpu time spent up to now is 56.8 secs Computing kpt #: 96 total cpu time spent up to now is 57.2 secs Computing kpt #: 97 total cpu time spent up to now is 57.7 secs Computing kpt #: 98 total cpu time spent up to now is 58.2 secs Computing kpt #: 99 total cpu time spent up to now is 58.7 secs Computing kpt #: 100 total cpu time spent up to now is 59.2 secs Computing kpt #: 101 total cpu time spent up to now is 59.7 secs Computing kpt #: 102 total cpu time spent up to now is 60.3 secs Computing kpt #: 103 total cpu time spent up to now is 60.9 secs Computing kpt #: 104 total cpu time spent up to now is 61.4 secs Computing kpt #: 105 total cpu time spent up to now is 62.0 secs Computing kpt #: 106 total cpu time spent up to now is 62.6 secs Computing kpt #: 107 total cpu time spent up to now is 63.1 secs Computing kpt #: 108 total cpu time spent up to now is 63.7 secs Computing kpt #: 109 total cpu time spent up to now is 64.3 secs Computing kpt #: 110 total cpu time spent up to now is 64.9 secs Computing kpt #: 111 total cpu time spent up to now is 65.5 secs Computing kpt #: 112 total cpu time spent up to now is 66.1 secs Computing kpt #: 113 total cpu time spent up to now is 66.7 secs Computing kpt #: 114 total cpu time spent up to now is 67.2 secs Computing kpt #: 115 total cpu time spent up to now is 67.8 secs Computing kpt #: 116 total cpu time spent up to now is 68.4 secs Computing kpt #: 117 total cpu time spent up to now is 69.0 secs Computing kpt #: 118 total cpu time spent up to now is 69.6 secs Computing kpt #: 119 total cpu time spent up to now is 70.1 secs Computing kpt #: 120 total cpu time spent up to now is 70.7 secs Computing kpt #: 121 total cpu time spent up to now is 71.3 secs Computing kpt #: 122 total cpu time spent up to now is 71.8 secs Computing kpt #: 123 total cpu time spent up to now is 72.4 secs Computing kpt #: 124 total cpu time spent up to now is 73.0 secs Computing kpt #: 125 total cpu time spent up to now is 73.5 secs Computing kpt #: 126 total cpu time spent up to now is 74.1 secs Computing kpt #: 127 total cpu time spent up to now is 74.7 secs Computing kpt #: 128 total cpu time spent up to now is 75.3 secs Computing kpt #: 129 total cpu time spent up to now is 75.8 secs Computing kpt #: 130 total cpu time spent up to now is 76.3 secs Computing kpt #: 131 total cpu time spent up to now is 76.8 secs Computing kpt #: 132 total cpu time spent up to now is 77.3 secs Computing kpt #: 133 total cpu time spent up to now is 77.7 secs Computing kpt #: 134 total cpu time spent up to now is 78.2 secs Computing kpt #: 135 total cpu time spent up to now is 78.7 secs Computing kpt #: 136 total cpu time spent up to now is 79.1 secs Computing kpt #: 137 total cpu time spent up to now is 79.6 secs Computing kpt #: 138 total cpu time spent up to now is 80.1 secs Computing kpt #: 139 total cpu time spent up to now is 80.6 secs Computing kpt #: 140 total cpu time spent up to now is 81.1 secs Computing kpt #: 141 total cpu time spent up to now is 81.6 secs Computing kpt #: 142 total cpu time spent up to now is 82.1 secs Computing kpt #: 143 total cpu time spent up to now is 82.6 secs Computing kpt #: 144 total cpu time spent up to now is 83.1 secs Computing kpt #: 145 total cpu time spent up to now is 83.6 secs Computing kpt #: 146 total cpu time spent up to now is 84.1 secs Computing kpt #: 147 total cpu time spent up to now is 84.7 secs Computing kpt #: 148 total cpu time spent up to now is 85.3 secs Computing kpt #: 149 total cpu time spent up to now is 85.9 secs Computing kpt #: 150 total cpu time spent up to now is 86.5 secs Computing kpt #: 151 total cpu time spent up to now is 87.1 secs Computing kpt #: 152 total cpu time spent up to now is 87.6 secs Computing kpt #: 153 total cpu time spent up to now is 88.2 secs Computing kpt #: 154 total cpu time spent up to now is 88.8 secs Computing kpt #: 155 total cpu time spent up to now is 89.4 secs Computing kpt #: 156 total cpu time spent up to now is 90.0 secs Computing kpt #: 157 total cpu time spent up to now is 90.5 secs Computing kpt #: 158 total cpu time spent up to now is 91.1 secs Computing kpt #: 159 total cpu time spent up to now is 91.7 secs Computing kpt #: 160 total cpu time spent up to now is 92.3 secs Computing kpt #: 161 total cpu time spent up to now is 93.0 secs Computing kpt #: 162 total cpu time spent up to now is 93.6 secs Computing kpt #: 163 total cpu time spent up to now is 94.2 secs Computing kpt #: 164 total cpu time spent up to now is 94.8 secs Computing kpt #: 165 total cpu time spent up to now is 95.4 secs Computing kpt #: 166 total cpu time spent up to now is 96.1 secs Computing kpt #: 167 total cpu time spent up to now is 96.7 secs Computing kpt #: 168 total cpu time spent up to now is 97.4 secs Computing kpt #: 169 total cpu time spent up to now is 98.0 secs Computing kpt #: 170 total cpu time spent up to now is 98.6 secs Computing kpt #: 171 total cpu time spent up to now is 99.1 secs Computing kpt #: 172 total cpu time spent up to now is 99.7 secs Computing kpt #: 173 total cpu time spent up to now is 100.3 secs Computing kpt #: 174 total cpu time spent up to now is 100.9 secs Computing kpt #: 175 total cpu time spent up to now is 101.4 secs Computing kpt #: 176 total cpu time spent up to now is 102.0 secs Computing kpt #: 177 total cpu time spent up to now is 102.6 secs Computing kpt #: 178 total cpu time spent up to now is 103.2 secs Computing kpt #: 179 total cpu time spent up to now is 103.7 secs Computing kpt #: 180 total cpu time spent up to now is 104.3 secs Computing kpt #: 181 total cpu time spent up to now is 104.9 secs Computing kpt #: 182 total cpu time spent up to now is 105.5 secs Computing kpt #: 183 total cpu time spent up to now is 106.0 secs Computing kpt #: 184 total cpu time spent up to now is 106.6 secs Computing kpt #: 185 total cpu time spent up to now is 107.2 secs Computing kpt #: 186 total cpu time spent up to now is 107.8 secs Computing kpt #: 187 total cpu time spent up to now is 108.4 secs Computing kpt #: 188 total cpu time spent up to now is 108.9 secs Computing kpt #: 189 total cpu time spent up to now is 109.6 secs Computing kpt #: 190 total cpu time spent up to now is 110.2 secs Computing kpt #: 191 total cpu time spent up to now is 110.8 secs Computing kpt #: 192 total cpu time spent up to now is 111.4 secs Computing kpt #: 193 total cpu time spent up to now is 112.0 secs Computing kpt #: 194 total cpu time spent up to now is 112.5 secs Computing kpt #: 195 total cpu time spent up to now is 113.1 secs Computing kpt #: 196 total cpu time spent up to now is 113.7 secs Computing kpt #: 197 total cpu time spent up to now is 114.3 secs Computing kpt #: 198 total cpu time spent up to now is 114.8 secs Computing kpt #: 199 total cpu time spent up to now is 115.4 secs Computing kpt #: 200 total cpu time spent up to now is 116.0 secs Computing kpt #: 201 total cpu time spent up to now is 116.5 secs Computing kpt #: 202 total cpu time spent up to now is 117.1 secs Computing kpt #: 203 total cpu time spent up to now is 117.7 secs Computing kpt #: 204 total cpu time spent up to now is 118.3 secs Computing kpt #: 205 total cpu time spent up to now is 118.9 secs Computing kpt #: 206 total cpu time spent up to now is 119.5 secs Computing kpt #: 207 total cpu time spent up to now is 120.1 secs Computing kpt #: 208 total cpu time spent up to now is 120.7 secs Computing kpt #: 209 total cpu time spent up to now is 121.2 secs Computing kpt #: 210 total cpu time spent up to now is 121.8 secs Computing kpt #: 211 total cpu time spent up to now is 122.4 secs Computing kpt #: 212 total cpu time spent up to now is 123.0 secs Computing kpt #: 213 total cpu time spent up to now is 123.5 secs Computing kpt #: 214 total cpu time spent up to now is 124.1 secs Computing kpt #: 215 total cpu time spent up to now is 124.7 secs Computing kpt #: 216 total cpu time spent up to now is 125.2 secs Computing kpt #: 217 total cpu time spent up to now is 125.7 secs Computing kpt #: 218 total cpu time spent up to now is 126.3 secs Computing kpt #: 219 total cpu time spent up to now is 126.9 secs Computing kpt #: 220 total cpu time spent up to now is 127.4 secs Computing kpt #: 221 total cpu time spent up to now is 128.0 secs Computing kpt #: 222 total cpu time spent up to now is 128.6 secs Computing kpt #: 223 total cpu time spent up to now is 129.2 secs Computing kpt #: 224 total cpu time spent up to now is 129.7 secs Computing kpt #: 225 total cpu time spent up to now is 130.3 secs Computing kpt #: 226 total cpu time spent up to now is 130.9 secs Computing kpt #: 227 total cpu time spent up to now is 131.5 secs Computing kpt #: 228 total cpu time spent up to now is 132.0 secs Computing kpt #: 229 total cpu time spent up to now is 132.6 secs Computing kpt #: 230 total cpu time spent up to now is 133.2 secs Computing kpt #: 231 total cpu time spent up to now is 133.8 secs Computing kpt #: 232 total cpu time spent up to now is 134.4 secs Computing kpt #: 233 total cpu time spent up to now is 134.9 secs Computing kpt #: 234 total cpu time spent up to now is 135.5 secs Computing kpt #: 235 total cpu time spent up to now is 136.1 secs Computing kpt #: 236 total cpu time spent up to now is 136.7 secs Computing kpt #: 237 total cpu time spent up to now is 137.2 secs Computing kpt #: 238 total cpu time spent up to now is 137.7 secs Computing kpt #: 239 total cpu time spent up to now is 138.3 secs Computing kpt #: 240 total cpu time spent up to now is 138.8 secs Computing kpt #: 241 total cpu time spent up to now is 139.3 secs Computing kpt #: 242 total cpu time spent up to now is 139.8 secs Computing kpt #: 243 total cpu time spent up to now is 140.4 secs Computing kpt #: 244 total cpu time spent up to now is 140.9 secs Computing kpt #: 245 total cpu time spent up to now is 141.5 secs Computing kpt #: 246 total cpu time spent up to now is 142.1 secs Computing kpt #: 247 total cpu time spent up to now is 142.7 secs Computing kpt #: 248 total cpu time spent up to now is 143.3 secs Computing kpt #: 249 total cpu time spent up to now is 143.8 secs Computing kpt #: 250 total cpu time spent up to now is 144.4 secs Computing kpt #: 251 total cpu time spent up to now is 145.0 secs Computing kpt #: 252 total cpu time spent up to now is 145.6 secs Computing kpt #: 253 total cpu time spent up to now is 146.2 secs Computing kpt #: 254 total cpu time spent up to now is 146.8 secs Computing kpt #: 255 total cpu time spent up to now is 147.3 secs Computing kpt #: 256 total cpu time spent up to now is 147.9 secs Computing kpt #: 257 total cpu time spent up to now is 148.5 secs Computing kpt #: 258 total cpu time spent up to now is 149.0 secs Computing kpt #: 259 total cpu time spent up to now is 149.5 secs Computing kpt #: 260 total cpu time spent up to now is 150.1 secs Computing kpt #: 261 total cpu time spent up to now is 150.6 secs Computing kpt #: 262 total cpu time spent up to now is 151.1 secs Computing kpt #: 263 total cpu time spent up to now is 151.6 secs Computing kpt #: 264 total cpu time spent up to now is 152.2 secs Computing kpt #: 265 total cpu time spent up to now is 152.7 secs Computing kpt #: 266 total cpu time spent up to now is 153.3 secs Computing kpt #: 267 total cpu time spent up to now is 153.9 secs Computing kpt #: 268 total cpu time spent up to now is 154.5 secs Computing kpt #: 269 total cpu time spent up to now is 155.1 secs Computing kpt #: 270 total cpu time spent up to now is 155.7 secs Computing kpt #: 271 total cpu time spent up to now is 156.2 secs Computing kpt #: 272 total cpu time spent up to now is 156.8 secs Computing kpt #: 273 total cpu time spent up to now is 157.3 secs Computing kpt #: 274 total cpu time spent up to now is 157.8 secs Computing kpt #: 275 total cpu time spent up to now is 158.4 secs Computing kpt #: 276 total cpu time spent up to now is 158.9 secs Computing kpt #: 277 total cpu time spent up to now is 159.4 secs Computing kpt #: 278 total cpu time spent up to now is 160.0 secs Computing kpt #: 279 total cpu time spent up to now is 160.5 secs Computing kpt #: 280 total cpu time spent up to now is 161.1 secs Computing kpt #: 281 total cpu time spent up to now is 161.7 secs Computing kpt #: 282 total cpu time spent up to now is 162.2 secs Computing kpt #: 283 total cpu time spent up to now is 162.8 secs Computing kpt #: 284 total cpu time spent up to now is 163.4 secs Computing kpt #: 285 total cpu time spent up to now is 164.0 secs Computing kpt #: 286 total cpu time spent up to now is 164.6 secs Computing kpt #: 287 total cpu time spent up to now is 165.2 secs Computing kpt #: 288 total cpu time spent up to now is 165.8 secs Computing kpt #: 289 total cpu time spent up to now is 166.4 secs Computing kpt #: 290 total cpu time spent up to now is 166.9 secs Computing kpt #: 291 total cpu time spent up to now is 167.5 secs Computing kpt #: 292 total cpu time spent up to now is 168.1 secs Computing kpt #: 293 total cpu time spent up to now is 168.7 secs Computing kpt #: 294 total cpu time spent up to now is 169.3 secs Computing kpt #: 295 total cpu time spent up to now is 169.9 secs Computing kpt #: 296 total cpu time spent up to now is 170.5 secs Computing kpt #: 297 total cpu time spent up to now is 171.0 secs Computing kpt #: 298 total cpu time spent up to now is 171.6 secs Computing kpt #: 299 total cpu time spent up to now is 172.2 secs Computing kpt #: 300 total cpu time spent up to now is 172.8 secs Computing kpt #: 301 total cpu time spent up to now is 173.4 secs Computing kpt #: 302 total cpu time spent up to now is 174.0 secs Computing kpt #: 303 total cpu time spent up to now is 174.7 secs Computing kpt #: 304 total cpu time spent up to now is 175.3 secs Computing kpt #: 305 total cpu time spent up to now is 175.9 secs Computing kpt #: 306 total cpu time spent up to now is 176.5 secs Computing kpt #: 307 total cpu time spent up to now is 177.1 secs Computing kpt #: 308 total cpu time spent up to now is 177.8 secs Computing kpt #: 309 total cpu time spent up to now is 178.4 secs Computing kpt #: 310 total cpu time spent up to now is 178.9 secs Computing kpt #: 311 total cpu time spent up to now is 179.4 secs Computing kpt #: 312 total cpu time spent up to now is 179.9 secs Computing kpt #: 313 total cpu time spent up to now is 180.4 secs Computing kpt #: 314 total cpu time spent up to now is 180.8 secs Computing kpt #: 315 total cpu time spent up to now is 181.3 secs Computing kpt #: 316 total cpu time spent up to now is 181.8 secs Computing kpt #: 317 total cpu time spent up to now is 182.3 secs Computing kpt #: 318 total cpu time spent up to now is 182.8 secs Computing kpt #: 319 total cpu time spent up to now is 183.2 secs Computing kpt #: 320 total cpu time spent up to now is 183.7 secs Computing kpt #: 321 total cpu time spent up to now is 184.2 secs Computing kpt #: 322 total cpu time spent up to now is 184.7 secs Computing kpt #: 323 total cpu time spent up to now is 185.1 secs Computing kpt #: 324 total cpu time spent up to now is 185.6 secs Computing kpt #: 325 total cpu time spent up to now is 186.2 secs Computing kpt #: 326 total cpu time spent up to now is 186.7 secs Computing kpt #: 327 total cpu time spent up to now is 187.3 secs Computing kpt #: 328 total cpu time spent up to now is 187.9 secs Computing kpt #: 329 total cpu time spent up to now is 188.4 secs Computing kpt #: 330 total cpu time spent up to now is 189.0 secs Computing kpt #: 331 total cpu time spent up to now is 189.5 secs Computing kpt #: 332 total cpu time spent up to now is 190.1 secs Computing kpt #: 333 total cpu time spent up to now is 190.7 secs Computing kpt #: 334 total cpu time spent up to now is 191.2 secs Computing kpt #: 335 total cpu time spent up to now is 191.7 secs Computing kpt #: 336 total cpu time spent up to now is 192.2 secs Computing kpt #: 337 total cpu time spent up to now is 192.8 secs Computing kpt #: 338 total cpu time spent up to now is 193.4 secs Computing kpt #: 339 total cpu time spent up to now is 193.9 secs Computing kpt #: 340 total cpu time spent up to now is 194.5 secs Computing kpt #: 341 total cpu time spent up to now is 195.0 secs Computing kpt #: 342 total cpu time spent up to now is 195.6 secs Computing kpt #: 343 total cpu time spent up to now is 196.2 secs Computing kpt #: 344 total cpu time spent up to now is 196.7 secs Computing kpt #: 345 total cpu time spent up to now is 197.3 secs Computing kpt #: 346 total cpu time spent up to now is 197.8 secs Computing kpt #: 347 total cpu time spent up to now is 198.4 secs Computing kpt #: 348 total cpu time spent up to now is 198.9 secs Computing kpt #: 349 total cpu time spent up to now is 199.4 secs Computing kpt #: 350 total cpu time spent up to now is 199.9 secs Computing kpt #: 351 total cpu time spent up to now is 200.4 secs Computing kpt #: 352 total cpu time spent up to now is 200.9 secs Computing kpt #: 353 total cpu time spent up to now is 201.4 secs Computing kpt #: 354 total cpu time spent up to now is 202.0 secs Computing kpt #: 355 total cpu time spent up to now is 202.5 secs Computing kpt #: 356 total cpu time spent up to now is 203.0 secs Computing kpt #: 357 total cpu time spent up to now is 203.6 secs Computing kpt #: 358 total cpu time spent up to now is 204.2 secs Computing kpt #: 359 total cpu time spent up to now is 204.8 secs ethr = 2.08E-08, avg # of iterations = 22.9 total cpu time spent up to now is 204.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3679 PWs) bands (ev): -32.1825 -32.1825 -32.1322 -32.1322 -13.3537 -13.3537 -13.0543 -13.0543 -12.1054 -12.1054 -11.7436 -11.7436 -11.6280 -11.6280 -11.5779 -11.5779 -7.4372 -7.4372 -7.0476 -7.0476 -6.0009 -6.0009 -5.6652 -5.6652 4.7789 4.7789 5.1265 5.1265 5.4279 5.4279 5.4951 5.4951 5.7425 5.7425 5.8002 5.8002 6.1352 6.1352 6.4614 6.4614 6.5422 6.5422 7.6703 7.6703 8.2652 8.2652 8.3173 8.3173 12.5073 12.5073 13.1921 13.1921 13.2434 13.2434 13.7784 13.7784 14.2618 14.2618 k = 0.0000 0.0122-0.0000 ( 3679 PWs) bands (ev): -32.1825 -32.1825 -32.1322 -32.1322 -13.3537 -13.3537 -13.0545 -13.0545 -12.1054 -12.1054 -11.7439 -11.7439 -11.6280 -11.6280 -11.5781 -11.5781 -7.4362 -7.4362 -7.0471 -7.0471 -6.0010 -6.0010 -5.6651 -5.6651 4.7762 4.7762 5.1262 5.1262 5.4295 5.4295 5.4967 5.4967 5.7428 5.7428 5.8003 5.8003 6.1325 6.1325 6.4627 6.4627 6.5432 6.5432 7.6697 7.6697 8.2636 8.2636 8.3156 8.3156 12.5105 12.5105 13.1935 13.1935 13.2454 13.2454 13.7820 13.7820 14.2598 14.2598 k = 0.0000 0.0244-0.0000 ( 3675 PWs) bands (ev): -32.1824 -32.1824 -32.1322 -32.1322 -13.3538 -13.3538 -13.0552 -13.0552 -12.1055 -12.1055 -11.7451 -11.7451 -11.6283 -11.6283 -11.5789 -11.5789 -7.4332 -7.4332 -7.0457 -7.0457 -6.0013 -6.0013 -5.6651 -5.6651 4.7681 4.7681 5.1254 5.1254 5.4342 5.4342 5.5019 5.5019 5.7437 5.7437 5.8008 5.8008 6.1249 6.1249 6.4656 6.4656 6.5466 6.5466 7.6677 7.6677 8.2588 8.2588 8.3107 8.3107 12.5201 12.5201 13.1974 13.1974 13.2512 13.2512 13.7929 13.7929 14.2540 14.2540 k = 0.0000 0.0366-0.0000 ( 3673 PWs) bands (ev): -32.1822 -32.1822 -32.1322 -32.1322 -13.3539 -13.3539 -13.0563 -13.0563 -12.1057 -12.1057 -11.7471 -11.7471 -11.6287 -11.6287 -11.5802 -11.5802 -7.4282 -7.4282 -7.0433 -7.0433 -6.0019 -6.0019 -5.6650 -5.6650 4.7550 4.7550 5.1238 5.1238 5.4409 5.4409 5.5110 5.5110 5.7452 5.7452 5.8016 5.8016 6.1132 6.1132 6.4681 6.4681 6.5536 6.5536 7.6645 7.6645 8.2507 8.2507 8.3026 8.3026 12.5360 12.5360 13.2040 13.2040 13.2608 13.2608 13.8106 13.8106 14.2442 14.2442 k = 0.0000 0.0488-0.0000 ( 3682 PWs) bands (ev): -32.1820 -32.1820 -32.1322 -32.1322 -13.3541 -13.3541 -13.0579 -13.0579 -12.1059 -12.1059 -11.7497 -11.7497 -11.6294 -11.6294 -11.5819 -11.5819 -7.4213 -7.4213 -7.0399 -7.0399 -6.0026 -6.0026 -5.6648 -5.6648 4.7376 4.7376 5.1215 5.1215 5.4487 5.4487 5.5247 5.5247 5.7474 5.7474 5.8027 5.8027 6.0985 6.0985 6.4681 6.4681 6.5654 6.5654 7.6600 7.6600 8.2395 8.2395 8.2916 8.2916 12.5581 12.5581 13.2130 13.2130 13.2742 13.2742 13.8347 13.8347 14.2307 14.2307 k = 0.0000 0.0610-0.0000 ( 3686 PWs) bands (ev): -32.1817 -32.1817 -32.1322 -32.1322 -13.3543 -13.3543 -13.0599 -13.0599 -12.1062 -12.1062 -11.7531 -11.7531 -11.6303 -11.6303 -11.5840 -11.5840 -7.4125 -7.4125 -7.0357 -7.0357 -6.0035 -6.0035 -5.6647 -5.6647 4.7164 4.7164 5.1183 5.1183 5.4567 5.4567 5.5431 5.5431 5.7503 5.7503 5.8043 5.8043 6.0819 6.0819 6.4645 6.4645 6.5817 6.5817 7.6542 7.6542 8.2253 8.2253 8.2779 8.2779 12.5863 12.5863 13.2245 13.2245 13.2912 13.2912 13.8643 13.8643 14.2136 14.2136 k = 0.0000 0.0732-0.0000 ( 3682 PWs) bands (ev): -32.1813 -32.1813 -32.1323 -32.1323 -13.3545 -13.3545 -13.0624 -13.0624 -12.1065 -12.1065 -11.7572 -11.7572 -11.6315 -11.6315 -11.5864 -11.5864 -7.4018 -7.4018 -7.0306 -7.0306 -6.0046 -6.0046 -5.6645 -5.6645 4.6922 4.6922 5.1141 5.1141 5.4644 5.4644 5.5659 5.5659 5.7542 5.7542 5.8064 5.8064 6.0645 6.0645 6.4575 6.4575 6.6015 6.6015 7.6471 7.6471 8.2081 8.2081 8.2618 8.2618 12.6206 12.6206 13.2383 13.2383 13.3117 13.3117 13.8980 13.8980 14.1935 14.1935 k = 0.0000 0.0854-0.0000 ( 3678 PWs) bands (ev): -32.1809 -32.1809 -32.1323 -32.1323 -13.3548 -13.3548 -13.0653 -13.0653 -12.1070 -12.1070 -11.7618 -11.7618 -11.6331 -11.6331 -11.5890 -11.5890 -7.3893 -7.3893 -7.0247 -7.0247 -6.0059 -6.0059 -5.6644 -5.6644 4.6654 4.6654 5.1088 5.1088 5.4718 5.4718 5.5924 5.5924 5.7591 5.7591 5.8092 5.8092 6.0469 6.0469 6.4475 6.4475 6.6236 6.6236 7.6387 7.6387 8.1885 8.1885 8.2435 8.2435 12.6607 12.6607 13.2542 13.2542 13.3355 13.3355 13.9337 13.9337 14.1718 14.1718 k = 0.0000 0.0976-0.0000 ( 3678 PWs) bands (ev): -32.1804 -32.1804 -32.1323 -32.1323 -13.3552 -13.3552 -13.0687 -13.0687 -12.1075 -12.1075 -11.7671 -11.7671 -11.6351 -11.6351 -11.5917 -11.5917 -7.3751 -7.3751 -7.0180 -7.0180 -6.0073 -6.0073 -5.6642 -5.6642 4.6367 4.6367 5.1022 5.1022 5.4791 5.4791 5.6217 5.6217 5.7654 5.7654 5.8128 5.8128 6.0298 6.0298 6.4351 6.4351 6.6467 6.6467 7.6291 7.6291 8.1667 8.1667 8.2232 8.2232 12.7064 12.7064 13.2721 13.2721 13.3626 13.3626 13.9669 13.9669 14.1519 14.1519 k = 0.0000 0.1098-0.0000 ( 3684 PWs) bands (ev): -32.1798 -32.1798 -32.1324 -32.1324 -13.3555 -13.3555 -13.0726 -13.0726 -12.1080 -12.1080 -11.7729 -11.7729 -11.6376 -11.6376 -11.5943 -11.5943 -7.3593 -7.3593 -7.0106 -7.0106 -6.0089 -6.0089 -5.6641 -5.6641 4.6065 4.6065 5.0941 5.0941 5.4861 5.4861 5.6528 5.6528 5.7735 5.7735 5.8175 5.8175 6.0136 6.0136 6.4205 6.4205 6.6700 6.6700 7.6183 7.6183 8.1432 8.1432 8.2010 8.2010 12.7575 12.7575 13.2918 13.2918 13.3928 13.3928 13.9885 13.9885 14.1418 14.1418 k = 0.0000 0.1220-0.0000 ( 3688 PWs) bands (ev): -32.1792 -32.1792 -32.1325 -32.1325 -13.3560 -13.3560 -13.0768 -13.0768 -12.1086 -12.1086 -11.7791 -11.7791 -11.6405 -11.6405 -11.5969 -11.5969 -7.3421 -7.3421 -7.0027 -7.0027 -6.0105 -6.0105 -5.6640 -5.6640 4.5752 4.5752 5.0845 5.0845 5.4930 5.4930 5.6841 5.6841 5.7840 5.7840 5.8239 5.8239 5.9988 5.9988 6.4041 6.4041 6.6928 6.6928 7.6062 7.6062 8.1187 8.1187 8.1769 8.1769 12.8138 12.8138 13.3131 13.3131 13.4257 13.4257 13.9867 13.9867 14.1520 14.1520 k = 0.0000 0.1341-0.0000 ( 3690 PWs) bands (ev): -32.1785 -32.1785 -32.1325 -32.1325 -13.3564 -13.3564 -13.0815 -13.0815 -12.1093 -12.1093 -11.7859 -11.7859 -11.6440 -11.6440 -11.5993 -11.5993 -7.3233 -7.3233 -6.9941 -6.9941 -6.0122 -6.0122 -5.6641 -5.6641 4.5433 4.5433 5.0732 5.0732 5.4997 5.4997 5.7137 5.7137 5.7977 5.7977 5.8332 5.8332 5.9855 5.9855 6.3860 6.3860 6.7146 6.7146 7.5929 7.5929 8.0936 8.0936 8.1511 8.1511 12.8748 12.8748 13.3358 13.3358 13.4613 13.4613 13.9626 13.9626 14.1799 14.1799 k = 0.0000 0.1463-0.0000 ( 3690 PWs) bands (ev): -32.1778 -32.1778 -32.1326 -32.1326 -13.3568 -13.3568 -13.0867 -13.0867 -12.1100 -12.1100 -11.7930 -11.7930 -11.6479 -11.6479 -11.6015 -11.6015 -7.3034 -7.3034 -6.9851 -6.9851 -6.0139 -6.0139 -5.6642 -5.6642 4.5109 4.5109 5.0601 5.0601 5.5061 5.5061 5.7390 5.7390 5.8138 5.8138 5.8486 5.8486 5.9742 5.9742 6.3665 6.3665 6.7349 6.7349 7.5784 7.5784 8.0685 8.0685 8.1237 8.1237 12.9404 12.9404 13.3596 13.3596 13.4993 13.4993 13.9262 13.9262 14.2143 14.2143 k = 0.0000 0.1585-0.0000 ( 3688 PWs) bands (ev): -32.1770 -32.1770 -32.1327 -32.1327 -13.3573 -13.3573 -13.0922 -13.0922 -12.1107 -12.1107 -11.8005 -11.8005 -11.6522 -11.6522 -11.6035 -11.6035 -7.2822 -7.2822 -6.9757 -6.9757 -6.0156 -6.0156 -5.6644 -5.6644 4.4786 4.4786 5.0451 5.0451 5.5121 5.5121 5.7592 5.7592 5.8292 5.8292 5.8742 5.8742 5.9648 5.9648 6.3456 6.3456 6.7533 6.7533 7.5628 7.5628 8.0438 8.0438 8.0950 8.0950 13.0101 13.0101 13.3844 13.3844 13.5395 13.5395 13.8833 13.8833 14.2476 14.2476 k = 0.0000 0.1707-0.0000 ( 3684 PWs) bands (ev): -32.1762 -32.1762 -32.1328 -32.1328 -13.3578 -13.3578 -13.0982 -13.0982 -12.1115 -12.1115 -11.8083 -11.8083 -11.6567 -11.6567 -11.6054 -11.6054 -7.2600 -7.2600 -6.9659 -6.9659 -6.0172 -6.0172 -5.6649 -5.6649 4.4464 4.4464 5.0282 5.0282 5.5177 5.5177 5.7752 5.7752 5.8431 5.8431 5.9095 5.9095 5.9575 5.9575 6.3235 6.3235 6.7695 6.7695 7.5461 7.5461 8.0196 8.0196 8.0652 8.0652 13.0833 13.0833 13.4101 13.4101 13.5818 13.5818 13.8368 13.8368 14.2758 14.2758 k = 0.0000 0.1829-0.0000 ( 3684 PWs) bands (ev): -32.1753 -32.1753 -32.1330 -32.1330 -13.3582 -13.3582 -13.1046 -13.1046 -12.1123 -12.1123 -11.8165 -11.8165 -11.6613 -11.6613 -11.6071 -11.6071 -7.2369 -7.2369 -6.9559 -6.9559 -6.0188 -6.0188 -5.6655 -5.6655 4.4146 4.4146 5.0093 5.0093 5.5228 5.5228 5.7888 5.7888 5.8576 5.8576 5.9499 5.9499 5.9534 5.9534 6.3005 6.3005 6.7832 6.7832 7.5284 7.5284 7.9955 7.9955 8.0352 8.0352 13.1595 13.1595 13.4366 13.4366 13.6257 13.6257 13.7884 13.7884 14.2966 14.2966 k = 0.0000 0.1951-0.0000 ( 3676 PWs) bands (ev): -32.1743 -32.1743 -32.1331 -32.1331 -13.3587 -13.3587 -13.1113 -13.1113 -12.1130 -12.1130 -11.8250 -11.8250 -11.6659 -11.6659 -11.6088 -11.6088 -7.2131 -7.2131 -6.9456 -6.9456 -6.0202 -6.0202 -5.6664 -5.6664 4.3835 4.3835 4.9884 4.9884 5.5273 5.5273 5.8011 5.8011 5.8736 5.8736 5.9490 5.9490 5.9965 5.9965 6.2766 6.2766 6.7942 6.7942 7.5096 7.5096 7.9701 7.9701 8.0070 8.0070 13.2374 13.2374 13.4642 13.4642 13.6704 13.6704 13.7395 13.7395 14.3086 14.3086 k = 0.0000 0.2073-0.0000 ( 3678 PWs) bands (ev): -32.1734 -32.1734 -32.1333 -32.1333 -13.3591 -13.3591 -13.1184 -13.1184 -12.1137 -12.1137 -11.8338 -11.8338 -11.6705 -11.6705 -11.6104 -11.6104 -7.1887 -7.1887 -6.9353 -6.9353 -6.0214 -6.0214 -5.6675 -5.6675 4.3532 4.3532 4.9655 4.9655 5.5314 5.5314 5.8127 5.8127 5.8916 5.8916 5.9481 5.9481 6.0444 6.0444 6.2520 6.2520 6.8025 6.8025 7.4900 7.4900 7.9411 7.9411 7.9830 7.9830 13.3155 13.3155 13.4936 13.4936 13.6844 13.6844 13.7228 13.7228 14.3114 14.3114 k = 0.0000 0.2195-0.0000 ( 3672 PWs) bands (ev): -32.1724 -32.1724 -32.1335 -32.1335 -13.3595 -13.3595 -13.1258 -13.1258 -12.1143 -12.1143 -11.8428 -11.8428 -11.6748 -11.6748 -11.6120 -11.6120 -7.1638 -7.1638 -6.9249 -6.9249 -6.0224 -6.0224 -5.6690 -5.6690 4.3240 4.3240 4.9408 4.9408 5.5350 5.5350 5.8240 5.8240 5.9116 5.9116 5.9492 5.9492 6.0941 6.0941 6.2272 6.2272 6.8081 6.8081 7.4695 7.4695 7.9077 7.9077 7.9642 7.9642 13.3898 13.3898 13.5269 13.5269 13.6382 13.6382 13.7688 13.7688 14.3055 14.3055 k = 0.0000 0.2317-0.0000 ( 3678 PWs) bands (ev): -32.1713 -32.1713 -32.1337 -32.1337 -13.3598 -13.3598 -13.1336 -13.1336 -12.1149 -12.1149 -11.8521 -11.8521 -11.6788 -11.6788 -11.6136 -11.6136 -7.1387 -7.1387 -6.9145 -6.9145 -6.0230 -6.0230 -5.6708 -5.6708 4.2961 4.2961 4.9143 4.9143 5.5382 5.5382 5.8352 5.8352 5.9331 5.9331 5.9529 5.9529 6.1434 6.1434 6.2038 6.2038 6.8111 6.8111 7.4482 7.4482 7.8710 7.8710 7.9496 7.9496 13.4523 13.4523 13.5631 13.5631 13.5996 13.5996 13.8180 13.8180 14.2916 14.2916 k = 0.0000 0.2439-0.0000 ( 3674 PWs) bands (ev): -32.1703 -32.1703 -32.1339 -32.1339 -13.3600 -13.3600 -13.1416 -13.1416 -12.1153 -12.1153 -11.8615 -11.8615 -11.6825 -11.6825 -11.6152 -11.6152 -7.1134 -7.1134 -6.9041 -6.9041 -6.0233 -6.0233 -5.6731 -5.6731 4.2695 4.2695 4.8861 4.8861 5.5411 5.5411 5.8464 5.8464 5.9504 5.9504 5.9646 5.9646 6.1652 6.1652 6.2090 6.2090 6.8116 6.8116 7.4263 7.4263 7.8320 7.8320 7.9380 7.9380 13.4896 13.4896 13.5461 13.5461 13.6392 13.6392 13.8684 13.8684 14.2710 14.2710 k = 0.0000 0.2561-0.0000 ( 3678 PWs) bands (ev): -32.1692 -32.1692 -32.1342 -32.1342 -13.3602 -13.3602 -13.1499 -13.1499 -12.1156 -12.1156 -11.8712 -11.8712 -11.6858 -11.6858 -11.6169 -11.6169 -7.0882 -7.0882 -6.8939 -6.8939 -6.0231 -6.0231 -5.6758 -5.6758 4.2445 4.2445 4.8563 4.8563 5.5437 5.5437 5.8579 5.8579 5.9587 5.9587 5.9888 5.9888 6.1435 6.1435 6.2587 6.2587 6.8099 6.8099 7.4039 7.4039 7.7913 7.7913 7.9287 7.9287 13.4744 13.4744 13.5486 13.5486 13.7102 13.7102 13.9197 13.9197 14.2449 14.2449 k = 0.0000 0.2683-0.0000 ( 3680 PWs) bands (ev): -32.1680 -32.1680 -32.1345 -32.1345 -13.3603 -13.3603 -13.1584 -13.1584 -12.1157 -12.1157 -11.8810 -11.8810 -11.6886 -11.6886 -11.6187 -11.6187 -7.0632 -7.0632 -6.8839 -6.8839 -6.0223 -6.0223 -5.6790 -5.6790 4.2212 4.2212 4.8251 4.8251 5.5463 5.5463 5.8697 5.8697 5.9662 5.9662 6.0171 6.0171 6.1177 6.1177 6.3132 6.3132 6.8064 6.8064 7.3812 7.3812 7.7491 7.7491 7.9211 7.9211 13.4340 13.4340 13.5692 13.5692 13.7845 13.7845 13.9716 13.9716 14.2146 14.2146 k = 0.0000 0.2805-0.0000 ( 3672 PWs) bands (ev): -32.1669 -32.1669 -32.1348 -32.1348 -13.3602 -13.3602 -13.1671 -13.1671 -12.1156 -12.1156 -11.8910 -11.8910 -11.6909 -11.6909 -11.6206 -11.6206 -7.0386 -7.0386 -6.8740 -6.8740 -6.0210 -6.0210 -5.6827 -5.6827 4.1998 4.1998 4.7927 4.7927 5.5488 5.5488 5.8817 5.8817 5.9742 5.9742 6.0475 6.0475 6.0915 6.0915 6.3689 6.3689 6.8013 6.8013 7.3584 7.3584 7.7057 7.7057 7.9146 7.9146 13.3919 13.3919 13.5886 13.5886 13.8537 13.8537 14.0241 14.0241 14.1814 14.1814 k = 0.0000 0.2927-0.0000 ( 3672 PWs) bands (ev): -32.1657 -32.1657 -32.1351 -32.1351 -13.3600 -13.3600 -13.1760 -13.1760 -12.1152 -12.1152 -11.9010 -11.9010 -11.6928 -11.6928 -11.6225 -11.6225 -7.0145 -7.0145 -6.8645 -6.8645 -6.0190 -6.0190 -5.6870 -5.6870 4.1803 4.1803 4.7592 4.7592 5.5514 5.5514 5.8940 5.8940 5.9826 5.9826 6.0655 6.0655 6.0800 6.0800 6.4251 6.4251 6.7951 6.7951 7.3356 7.3356 7.6613 7.6613 7.9089 7.9089 13.3513 13.3513 13.6056 13.6056 13.9100 13.9100 14.0769 14.0769 14.1466 14.1466 k = 0.0000 0.3049-0.0000 ( 3676 PWs) bands (ev): -32.1645 -32.1645 -32.1355 -32.1355 -13.3596 -13.3596 -13.1850 -13.1850 -12.1146 -12.1146 -11.9112 -11.9112 -11.6942 -11.6942 -11.6245 -11.6245 -6.9911 -6.9911 -6.8552 -6.8552 -6.0162 -6.0162 -5.6920 -5.6920 4.1629 4.1629 4.7249 4.7249 5.5542 5.5542 5.9065 5.9065 5.9903 5.9903 6.0414 6.0414 6.1140 6.1140 6.4814 6.4814 6.7880 6.7880 7.3134 7.3134 7.6158 7.6158 7.9033 7.9033 13.3131 13.3131 13.6200 13.6200 13.9443 13.9443 14.1117 14.1117 14.1302 14.1302 k = 0.0000 0.3171-0.0000 ( 3676 PWs) bands (ev): -32.1634 -32.1634 -32.1359 -32.1359 -13.3590 -13.3590 -13.1940 -13.1940 -12.1136 -12.1136 -11.9213 -11.9213 -11.6951 -11.6951 -11.6267 -11.6267 -6.9685 -6.9685 -6.8463 -6.8463 -6.0127 -6.0127 -5.6975 -5.6975 4.1477 4.1477 4.6898 4.6898 5.5573 5.5573 5.9190 5.9190 5.9922 5.9922 6.0239 6.0239 6.1496 6.1496 6.5371 6.5371 6.7806 6.7806 7.2919 7.2919 7.5694 7.5694 7.8973 7.8973 13.2775 13.2775 13.6315 13.6315 13.9502 13.9502 14.0774 14.0774 14.1839 14.1839 k = 0.0000 0.3293-0.0000 ( 3672 PWs) bands (ev): -32.1622 -32.1622 -32.1364 -32.1364 -13.3582 -13.3582 -13.2031 -13.2031 -12.1124 -12.1124 -11.9314 -11.9314 -11.6955 -11.6955 -11.6289 -11.6289 -6.9469 -6.9469 -6.8378 -6.8378 -6.0082 -6.0082 -5.7038 -5.7038 4.1348 4.1348 4.6543 4.6543 5.5607 5.5607 5.9308 5.9308 5.9786 5.9786 6.0236 6.0236 6.1867 6.1867 6.5916 6.5916 6.7732 6.7732 7.2719 7.2719 7.5223 7.5223 7.8906 7.8906 13.2451 13.2451 13.6400 13.6400 13.9304 13.9304 14.0433 14.0433 14.2381 14.2381 k = 0.0000 0.3415-0.0000 ( 3672 PWs) bands (ev): -32.1610 -32.1610 -32.1369 -32.1369 -13.3571 -13.3571 -13.2122 -13.2122 -12.1108 -12.1108 -11.9415 -11.9415 -11.6955 -11.6955 -11.6312 -11.6312 -6.9265 -6.9265 -6.8297 -6.8297 -6.0029 -6.0029 -5.7108 -5.7108 4.1242 4.1242 4.6184 4.6184 5.5646 5.5646 5.9370 5.9370 5.9628 5.9628 6.0319 6.0319 6.2252 6.2252 6.6441 6.6441 6.7660 6.7660 7.2541 7.2541 7.4745 7.4745 7.8826 7.8826 13.2159 13.2159 13.6445 13.6445 13.8946 13.8946 14.0087 14.0087 14.2925 14.2925 k = 0.0000 0.3537-0.0000 ( 3680 PWs) bands (ev): -32.1598 -32.1598 -32.1374 -32.1374 -13.3559 -13.3559 -13.2213 -13.2213 -12.1089 -12.1089 -11.9515 -11.9515 -11.6951 -11.6951 -11.6337 -11.6337 -6.9072 -6.9072 -6.8221 -6.8221 -5.9967 -5.9967 -5.7185 -5.7185 4.1160 4.1160 4.5824 4.5824 5.5690 5.5690 5.9231 5.9231 5.9659 5.9659 6.0418 6.0418 6.2650 6.2650 6.6932 6.6932 6.7598 6.7598 7.2393 7.2393 7.4261 7.4261 7.8729 7.8729 13.1902 13.1902 13.6436 13.6436 13.8524 13.8524 13.9741 13.9741 14.3471 14.3471 k = 0.0000 0.3659-0.0000 ( 3682 PWs) bands (ev): -32.1586 -32.1586 -32.1379 -32.1379 -13.3543 -13.3543 -13.2303 -13.2303 -12.1066 -12.1066 -11.9614 -11.9614 -11.6943 -11.6943 -11.6362 -11.6362 -6.8893 -6.8893 -6.8150 -6.8150 -5.9895 -5.9895 -5.7269 -5.7269 4.1103 4.1103 4.5465 4.5465 5.5739 5.5739 5.9007 5.9007 5.9776 5.9776 6.0520 6.0520 6.3060 6.3060 6.7351 6.7351 6.7569 6.7569 7.2290 7.2290 7.3773 7.3773 7.8613 7.8613 13.1682 13.1682 13.6346 13.6346 13.8115 13.8115 13.9408 13.9408 14.4018 14.4018 k = 0.0000 0.3780-0.0000 ( 3688 PWs) bands (ev): -32.1574 -32.1574 -32.1385 -32.1385 -13.3524 -13.3524 -13.2392 -13.2392 -12.1039 -12.1039 -11.9712 -11.9712 -11.6932 -11.6932 -11.6389 -11.6389 -6.8727 -6.8727 -6.8085 -6.8085 -5.9813 -5.9813 -5.7360 -5.7360 4.1071 4.1071 4.5109 4.5109 5.5795 5.5795 5.8774 5.8774 5.9905 5.9905 6.0619 6.0619 6.3482 6.3482 6.7454 6.7454 6.7804 6.7804 7.2245 7.2245 7.3286 7.3286 7.8473 7.8473 13.1501 13.1501 13.6138 13.6138 13.7787 13.7787 13.9094 13.9094 14.4564 14.4564 k = 0.0000 0.3902-0.0000 ( 3684 PWs) bands (ev): -32.1562 -32.1562 -32.1391 -32.1391 -13.3502 -13.3502 -13.2479 -13.2479 -12.1008 -12.1008 -11.9807 -11.9807 -11.6917 -11.6917 -11.6416 -11.6416 -6.8576 -6.8576 -6.8025 -6.8025 -5.9722 -5.9722 -5.7458 -5.7458 4.1064 4.1064 4.4758 4.4758 5.5859 5.5859 5.8543 5.8543 6.0036 6.0036 6.0711 6.0711 6.3914 6.3914 6.7430 6.7430 6.8098 6.8098 7.2259 7.2259 7.2817 7.2817 7.8307 7.8307 13.1361 13.1361 13.5801 13.5801 13.7575 13.7575 13.8806 13.8806 14.5107 14.5107 k = 0.0000 0.4024-0.0000 ( 3688 PWs) bands (ev): -32.1550 -32.1550 -32.1398 -32.1398 -13.3477 -13.3477 -13.2564 -13.2564 -12.0973 -12.0973 -11.9901 -11.9901 -11.6899 -11.6899 -11.6444 -11.6444 -6.8439 -6.8439 -6.7972 -6.7972 -5.9622 -5.9622 -5.7563 -5.7563 4.1082 4.1082 4.4414 4.4414 5.5930 5.5930 5.8318 5.8318 6.0165 6.0165 6.0795 6.0795 6.4357 6.4357 6.7411 6.7411 6.8305 6.8305 7.2151 7.2151 7.2559 7.2559 7.8114 7.8114 13.1262 13.1262 13.5371 13.5371 13.7455 13.7455 13.8544 13.8544 14.5646 14.5646 k = 0.0000 0.4146-0.0000 ( 3688 PWs) bands (ev): -32.1539 -32.1539 -32.1405 -32.1405 -13.3448 -13.3448 -13.2647 -13.2647 -12.0934 -12.0934 -11.9992 -11.9992 -11.6879 -11.6879 -11.6473 -11.6473 -6.8317 -6.8317 -6.7926 -6.7926 -5.9513 -5.9513 -5.7675 -5.7675 4.1125 4.1125 4.4078 4.4078 5.6009 5.6009 5.8099 5.8099 6.0291 6.0291 6.0867 6.0867 6.4809 6.4809 6.7408 6.7408 6.8417 6.8417 7.1713 7.1713 7.2724 7.2724 7.7892 7.7892 13.1205 13.1205 13.4899 13.4899 13.7390 13.7390 13.8310 13.8310 14.6172 14.6172 k = 0.0000 0.4268-0.0000 ( 3684 PWs) bands (ev): -32.1527 -32.1527 -32.1412 -32.1412 -13.3416 -13.3416 -13.2727 -13.2727 -12.0891 -12.0891 -12.0081 -12.0081 -11.6856 -11.6856 -11.6503 -11.6503 -6.8210 -6.8210 -6.7888 -6.7888 -5.9397 -5.9397 -5.7793 -5.7793 4.1194 4.1194 4.3753 4.3753 5.6096 5.6096 5.7889 5.7889 6.0412 6.0412 6.0926 6.0926 6.5270 6.5270 6.7422 6.7422 6.8446 6.8446 7.1220 7.1220 7.3023 7.3023 7.7640 7.7640 13.1193 13.1193 13.4419 13.4419 13.7353 13.7353 13.8104 13.8104 14.6667 14.6667 k = 0.0000 0.4390-0.0000 ( 3688 PWs) bands (ev): -32.1516 -32.1516 -32.1420 -32.1420 -13.3380 -13.3380 -13.2804 -13.2804 -12.0845 -12.0845 -12.0167 -12.0167 -11.6832 -11.6832 -11.6533 -11.6533 -6.8116 -6.8116 -6.7858 -6.7858 -5.9273 -5.9273 -5.7917 -5.7917 4.1288 4.1288 4.3440 4.3440 5.6192 5.6192 5.7687 5.7687 6.0526 6.0526 6.0970 6.0970 6.5738 6.5738 6.7454 6.7454 6.8410 6.8410 7.0716 7.0716 7.3391 7.3391 7.7358 7.7358 13.1226 13.1226 13.3950 13.3950 13.7334 13.7334 13.7926 13.7926 14.7071 14.7071 k = 0.0000 0.4512-0.0000 ( 3692 PWs) bands (ev): -32.1505 -32.1505 -32.1428 -32.1428 -13.3340 -13.3340 -13.2879 -13.2879 -12.0794 -12.0794 -12.0251 -12.0251 -11.6805 -11.6805 -11.6564 -11.6564 -6.8037 -6.8037 -6.7836 -6.7836 -5.9145 -5.9145 -5.8046 -5.8046 4.1406 4.1406 4.3140 4.3140 5.6298 5.6298 5.7494 5.7494 6.0631 6.0631 6.0998 6.0998 6.6213 6.6213 6.7505 6.7505 6.8330 6.8330 7.0211 7.0211 7.3801 7.3801 7.7047 7.7047 13.1303 13.1303 13.3504 13.3504 13.7326 13.7326 13.7776 13.7776 14.7357 14.7357 k = 0.0000 0.4634-0.0000 ( 3690 PWs) bands (ev): -32.1494 -32.1494 -32.1437 -32.1437 -13.3296 -13.3296 -13.2950 -13.2950 -12.0739 -12.0739 -12.0331 -12.0331 -11.6777 -11.6777 -11.6595 -11.6595 -6.7971 -6.7971 -6.7823 -6.7823 -5.9011 -5.9011 -5.8179 -5.8179 4.1548 4.1548 4.2856 4.2856 5.6413 5.6413 5.7310 5.7310 6.0727 6.0727 6.1009 6.1009 6.6692 6.6692 6.7576 6.7576 6.8223 6.8223 6.9705 6.9705 7.4233 7.4233 7.6707 7.6707 13.1426 13.1426 13.3088 13.3088 13.7329 13.7329 13.7651 13.7651 14.7595 14.7595 k = 0.0000 0.4756-0.0000 ( 3688 PWs) bands (ev): -32.1484 -32.1484 -32.1445 -32.1445 -13.3248 -13.3248 -13.3017 -13.3017 -12.0680 -12.0680 -12.0408 -12.0408 -11.6748 -11.6748 -11.6626 -11.6626 -6.7917 -6.7917 -6.7821 -6.7821 -5.8874 -5.8874 -5.8315 -5.8315 4.1713 4.1713 4.2589 4.2589 5.6538 5.6538 5.7136 5.7136 6.0811 6.0811 6.1002 6.1002 6.7172 6.7172 6.7670 6.7670 6.8102 6.8102 6.9201 6.9201 7.4673 7.4673 7.6341 7.6341 13.1595 13.1595 13.2708 13.2708 13.7343 13.7343 13.7550 13.7550 14.7815 14.7815 k = 0.0000 0.4878-0.0000 ( 3694 PWs) bands (ev): -32.1474 -32.1474 -32.1455 -32.1455 -13.3196 -13.3196 -13.3080 -13.3080 -12.0617 -12.0617 -12.0481 -12.0481 -11.6719 -11.6719 -11.6657 -11.6657 -6.7876 -6.7876 -6.7828 -6.7828 -5.8735 -5.8735 -5.8454 -5.8454 4.1901 4.1901 4.2340 4.2340 5.6672 5.6672 5.6971 5.6971 6.0882 6.0882 6.0978 6.0978 6.7616 6.7616 6.7817 6.7817 6.7976 6.7976 6.8701 6.8701 7.5111 7.5111 7.5950 7.5950 13.1808 13.1808 13.2366 13.2366 13.7370 13.7370 13.7471 13.7471 14.8016 14.8016 k = 0.0000 0.5000-0.0000 ( 3696 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3140 -13.3140 -13.3140 -13.3140 -12.0551 -12.0551 -12.0551 -12.0551 -11.6688 -11.6688 -11.6688 -11.6688 -6.7846 -6.7846 -6.7846 -6.7846 -5.8594 -5.8594 -5.8594 -5.8594 4.2110 4.2110 4.2110 4.2110 5.6817 5.6817 5.6817 5.6817 6.0938 6.0938 6.0938 6.0938 6.7835 6.7835 6.7835 6.7835 6.8214 6.8214 6.8214 6.8214 7.5538 7.5538 7.5538 7.5538 13.2066 13.2066 13.2066 13.2066 13.7412 13.7412 13.7412 13.7412 14.8186 14.8186 k = 0.0000 0.5000-0.0000 ( 3696 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3140 -13.3140 -13.3140 -13.3140 -12.0551 -12.0551 -12.0551 -12.0551 -11.6688 -11.6688 -11.6688 -11.6688 -6.7846 -6.7846 -6.7846 -6.7846 -5.8594 -5.8594 -5.8594 -5.8594 4.2110 4.2110 4.2110 4.2110 5.6817 5.6817 5.6817 5.6817 6.0938 6.0938 6.0938 6.0938 6.7835 6.7835 6.7835 6.7835 6.8214 6.8214 6.8214 6.8214 7.5538 7.5538 7.5538 7.5538 13.2066 13.2066 13.2066 13.2066 13.7412 13.7412 13.7412 13.7412 14.8186 14.8186 k = 0.0122 0.5000-0.0000 ( 3688 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3173 -13.3173 -13.3108 -13.3108 -12.0618 -12.0618 -12.0486 -12.0486 -11.6709 -11.6709 -11.6672 -11.6672 -6.7864 -6.7864 -6.7820 -6.7820 -5.8594 -5.8594 -5.8594 -5.8594 4.2112 4.2112 4.2117 4.2117 5.6789 5.6789 5.6801 5.6801 6.0859 6.0859 6.0943 6.0943 6.7806 6.7806 6.7862 6.7862 6.8253 6.8253 6.8272 6.8272 7.5540 7.5540 7.5555 7.5555 13.2070 13.2070 13.2089 13.2089 13.7395 13.7395 13.7418 13.7418 14.8183 14.8194 k = 0.0244 0.5000-0.0000 ( 3680 PWs) bands (ev): -32.1463 -32.1463 -32.1463 -32.1463 -13.3208 -13.3208 -13.3077 -13.3077 -12.0686 -12.0686 -12.0424 -12.0424 -11.6734 -11.6734 -11.6660 -11.6660 -6.7872 -6.7872 -6.7783 -6.7783 -5.8594 -5.8594 -5.8594 -5.8594 4.2123 4.2123 4.2134 4.2134 5.6718 5.6718 5.6740 5.6740 6.0713 6.0713 6.0875 6.0875 6.7794 6.7794 6.7875 6.7875 6.8394 6.8394 6.8406 6.8406 7.5559 7.5559 7.5588 7.5588 13.2102 13.2102 13.2140 13.2140 13.7367 13.7367 13.7413 13.7413 14.8184 14.8195 k = 0.0366 0.5000-0.0000 ( 3674 PWs) bands (ev): -32.1463 -32.1463 -32.1463 -32.1463 -13.3243 -13.3243 -13.3048 -13.3048 -12.0756 -12.0756 -12.0364 -12.0364 -11.6763 -11.6763 -11.6652 -11.6652 -6.7870 -6.7870 -6.7738 -6.7738 -5.8594 -5.8594 -5.8594 -5.8594 4.2144 4.2144 4.2160 4.2160 5.6605 5.6605 5.6638 5.6638 6.0506 6.0506 6.0739 6.0739 6.7802 6.7802 6.7887 6.7887 6.8607 6.8607 6.8617 6.8617 7.5595 7.5595 7.5638 7.5638 13.2160 13.2160 13.2218 13.2218 13.7330 13.7330 13.7398 13.7398 14.8190 14.8191 k = 0.0488 0.5000-0.0000 ( 3674 PWs) bands (ev): -32.1462 -32.1462 -32.1462 -32.1462 -13.3279 -13.3279 -13.3021 -13.3021 -12.0828 -12.0828 -12.0306 -12.0306 -11.6797 -11.6797 -11.6648 -11.6648 -6.7859 -6.7859 -6.7685 -6.7685 -5.8594 -5.8594 -5.8594 -5.8594 4.2174 4.2174 4.2195 4.2195 5.6456 5.6456 5.6497 5.6497 6.0249 6.0249 6.0541 6.0541 6.7828 6.7828 6.7905 6.7905 6.8866 6.8866 6.8902 6.8902 7.5645 7.5645 7.5703 7.5703 13.2244 13.2244 13.2322 13.2322 13.7288 13.7288 13.7376 13.7376 14.8194 14.8194 k = 0.0610 0.5000-0.0000 ( 3678 PWs) bands (ev): -32.1460 -32.1460 -32.1460 -32.1460 -13.3316 -13.3316 -13.2996 -13.2996 -12.0901 -12.0901 -12.0251 -12.0251 -11.6835 -11.6835 -11.6647 -11.6647 -6.7838 -6.7838 -6.7623 -6.7623 -5.8594 -5.8594 -5.8594 -5.8594 4.2213 4.2213 4.2239 4.2239 5.6273 5.6273 5.6321 5.6321 5.9951 5.9951 6.0293 6.0293 6.7867 6.7867 6.7933 6.7933 6.9177 6.9177 6.9233 6.9233 7.5710 7.5710 7.5781 7.5781 13.2352 13.2352 13.2451 13.2451 13.7243 13.7243 13.7348 13.7348 14.8193 14.8213 k = 0.0732 0.5000-0.0000 ( 3674 PWs) bands (ev): -32.1458 -32.1458 -32.1458 -32.1458 -13.3353 -13.3353 -13.2973 -13.2973 -12.0975 -12.0975 -12.0199 -12.0199 -11.6877 -11.6877 -11.6650 -11.6650 -6.7809 -6.7809 -6.7553 -6.7553 -5.8594 -5.8594 -5.8594 -5.8594 4.2260 4.2260 4.2290 4.2290 5.6063 5.6063 5.6116 5.6116 5.9622 5.9622 6.0003 6.0003 6.7916 6.7916 6.7969 6.7969 6.9530 6.9530 6.9601 6.9601 7.5786 7.5786 7.5870 7.5870 13.2483 13.2483 13.2604 13.2604 13.7200 13.7200 13.7320 13.7320 14.8181 14.8181 k = 0.0854 0.5000-0.0000 ( 3672 PWs) bands (ev): -32.1457 -32.1457 -32.1456 -32.1456 -13.3390 -13.3390 -13.2952 -13.2952 -12.1049 -12.1049 -12.0150 -12.0150 -11.6923 -11.6923 -11.6656 -11.6656 -6.7770 -6.7770 -6.7476 -6.7476 -5.8594 -5.8594 -5.8594 -5.8594 4.2314 4.2314 4.2348 4.2348 5.5830 5.5830 5.5886 5.5886 5.9267 5.9267 5.9681 5.9681 6.7971 6.7971 6.8014 6.8014 6.9917 6.9917 6.9994 6.9994 7.5871 7.5871 7.5969 7.5969 13.2633 13.2633 13.2779 13.2779 13.7164 13.7164 13.7296 13.7296 14.8157 14.8157 k = 0.0976 0.5000-0.0000 ( 3674 PWs) bands (ev): -32.1454 -32.1454 -32.1454 -32.1454 -13.3427 -13.3427 -13.2933 -13.2933 -12.1124 -12.1124 -12.0105 -12.0105 -11.6972 -11.6972 -11.6664 -11.6664 -6.7722 -6.7722 -6.7392 -6.7392 -5.8594 -5.8594 -5.8594 -5.8594 4.2376 4.2376 4.2412 4.2412 5.5580 5.5580 5.5639 5.5639 5.8894 5.8894 5.9335 5.9335 6.8031 6.8031 6.8065 6.8065 7.0327 7.0327 7.0406 7.0406 7.5964 7.5964 7.6075 7.6075 13.2800 13.2800 13.2972 13.2972 13.7141 13.7141 13.7280 13.7280 14.8119 14.8120 k = 0.1098 0.5000-0.0000 ( 3674 PWs) bands (ev): -32.1452 -32.1452 -32.1452 -32.1452 -13.3465 -13.3465 -13.2918 -13.2918 -12.1199 -12.1199 -12.0062 -12.0062 -11.7025 -11.7025 -11.6675 -11.6675 -6.7667 -6.7667 -6.7303 -6.7303 -5.8594 -5.8594 -5.8594 -5.8594 4.2443 4.2443 4.2481 4.2481 5.5319 5.5319 5.5378 5.5378 5.8508 5.8508 5.8970 5.8970 6.8095 6.8095 6.8121 6.8121 7.0754 7.0754 7.0828 7.0828 7.6063 7.6063 7.6188 7.6188 13.2980 13.2980 13.3181 13.3181 13.7137 13.7137 13.7280 13.7280 14.8068 14.8068 k = 0.1220 0.5000-0.0000 ( 3678 PWs) bands (ev): -32.1449 -32.1449 -32.1449 -32.1449 -13.3502 -13.3502 -13.2905 -13.2905 -12.1273 -12.1273 -12.0024 -12.0024 -11.7080 -11.7080 -11.6688 -11.6688 -6.7603 -6.7603 -6.7208 -6.7208 -5.8595 -5.8595 -5.8595 -5.8595 4.2515 4.2515 4.2555 4.2555 5.5049 5.5049 5.5109 5.5109 5.8113 5.8113 5.8593 5.8593 6.8160 6.8160 6.8180 6.8180 7.1189 7.1189 7.1256 7.1256 7.6166 7.6166 7.6304 7.6304 13.3169 13.3169 13.3400 13.3400 13.7158 13.7158 13.7301 13.7301 14.8006 14.8006 k = 0.1341 0.5000-0.0000 ( 3680 PWs) bands (ev): -32.1446 -32.1446 -32.1446 -32.1446 -13.3540 -13.3540 -13.2895 -13.2895 -12.1346 -12.1346 -11.9990 -11.9990 -11.7137 -11.7137 -11.6703 -11.6703 -6.7532 -6.7532 -6.7108 -6.7108 -5.8595 -5.8595 -5.8595 -5.8595 4.2591 4.2591 4.2631 4.2631 5.4777 5.4777 5.4837 5.4837 5.7713 5.7713 5.8209 5.8209 6.8225 6.8225 6.8241 6.8241 7.1627 7.1627 7.1681 7.1681 7.6273 7.6273 7.6425 7.6425 13.3360 13.3360 13.3624 13.3624 13.7212 13.7212 13.7351 13.7351 14.7936 14.7936 k = 0.1463 0.5000-0.0000 ( 3684 PWs) bands (ev): -32.1443 -32.1443 -32.1443 -32.1443 -13.3576 -13.3576 -13.2889 -13.2889 -12.1418 -12.1418 -11.9960 -11.9960 -11.7195 -11.7195 -11.6720 -11.6720 -6.7455 -6.7455 -6.7004 -6.7004 -5.8595 -5.8595 -5.8595 -5.8595 4.2668 4.2668 4.2708 4.2708 5.4506 5.4506 5.4566 5.4566 5.7314 5.7314 5.7824 5.7824 6.8289 6.8289 6.8302 6.8302 7.2060 7.2060 7.2101 7.2101 7.6383 7.6383 7.6549 7.6549 13.3550 13.3550 13.3848 13.3848 13.7304 13.7304 13.7436 13.7436 14.7861 14.7861 k = 0.1585 0.5000-0.0000 ( 3696 PWs) bands (ev): -32.1440 -32.1440 -32.1440 -32.1440 -13.3613 -13.3613 -13.2886 -13.2886 -12.1488 -12.1488 -11.9936 -11.9936 -11.7254 -11.7254 -11.6738 -11.6738 -6.7371 -6.7371 -6.6897 -6.6897 -5.8595 -5.8595 -5.8595 -5.8595 4.2747 4.2747 4.2785 4.2785 5.4238 5.4238 5.4299 5.4299 5.6918 5.6918 5.7441 5.7441 6.8350 6.8350 6.8361 6.8361 7.2485 7.2485 7.2508 7.2508 7.6496 7.6496 7.6677 7.6677 13.3732 13.3732 13.4065 13.4065 13.7443 13.7443 13.7565 13.7565 14.7784 14.7784 k = 0.1707 0.5000-0.0000 ( 3700 PWs) bands (ev): -32.1436 -32.1436 -32.1436 -32.1436 -13.3648 -13.3648 -13.2886 -13.2886 -12.1556 -12.1556 -11.9916 -11.9916 -11.7312 -11.7312 -11.6757 -11.6757 -6.7282 -6.7282 -6.6788 -6.6788 -5.8595 -5.8595 -5.8595 -5.8595 4.2824 4.2824 4.2860 4.2860 5.3977 5.3977 5.4038 5.4038 5.6532 5.6532 5.7066 5.7066 6.8406 6.8406 6.8416 6.8416 7.2895 7.2895 7.2900 7.2900 7.6615 7.6615 7.6810 7.6810 13.3904 13.3904 13.4270 13.4270 13.7630 13.7630 13.7744 13.7744 14.7709 14.7709 k = 0.1829 0.5000-0.0000 ( 3704 PWs) bands (ev): -32.1432 -32.1432 -32.1432 -32.1432 -13.3683 -13.3683 -13.2890 -13.2890 -12.1622 -12.1622 -11.9903 -11.9903 -11.7370 -11.7370 -11.6777 -11.6777 -6.7188 -6.7188 -6.6677 -6.6677 -5.8596 -5.8596 -5.8596 -5.8596 4.2898 4.2898 4.2931 4.2931 5.3723 5.3723 5.3784 5.3784 5.6159 5.6159 5.6705 5.6705 6.8455 6.8455 6.8465 6.8465 7.3271 7.3271 7.3285 7.3285 7.6739 7.6739 7.6950 7.6950 13.4063 13.4063 13.4460 13.4460 13.7870 13.7870 13.7975 13.7975 14.7639 14.7639 k = 0.1951 0.5000-0.0000 ( 3696 PWs) bands (ev): -32.1429 -32.1429 -32.1429 -32.1429 -13.3717 -13.3717 -13.2898 -13.2898 -12.1683 -12.1683 -11.9896 -11.9896 -11.7425 -11.7425 -11.6798 -11.6798 -6.7089 -6.7089 -6.6564 -6.6564 -5.8596 -5.8596 -5.8596 -5.8596 4.2967 4.2967 4.2996 4.2996 5.3476 5.3476 5.3538 5.3538 5.5807 5.5807 5.6362 5.6362 6.8494 6.8494 6.8505 6.8505 7.3617 7.3617 7.3652 7.3652 7.6872 7.6872 7.7097 7.7097 13.4210 13.4210 13.4633 13.4633 13.8161 13.8161 13.8260 13.8260 14.7576 14.7576 k = 0.2073 0.5000-0.0000 ( 3692 PWs) bands (ev): -32.1425 -32.1425 -32.1425 -32.1425 -13.3749 -13.3749 -13.2909 -13.2909 -12.1742 -12.1742 -11.9895 -11.9895 -11.7477 -11.7477 -11.6820 -11.6820 -6.6987 -6.6987 -6.6451 -6.6451 -5.8597 -5.8597 -5.8596 -5.8596 4.3030 4.3030 4.3054 4.3054 5.3236 5.3236 5.3298 5.3298 5.5482 5.5482 5.6045 5.6045 6.8522 6.8522 6.8534 6.8534 7.3937 7.3937 7.3991 7.3991 7.7016 7.7016 7.7254 7.7254 13.4347 13.4347 13.4792 13.4792 13.8500 13.8500 13.8597 13.8597 14.7522 14.7522 k = 0.2195 0.5000-0.0000 ( 3692 PWs) bands (ev): -32.1421 -32.1421 -32.1421 -32.1421 -13.3781 -13.3781 -13.2924 -13.2924 -12.1796 -12.1796 -11.9902 -11.9902 -11.7526 -11.7526 -11.6842 -11.6842 -6.6883 -6.6883 -6.6339 -6.6339 -5.8597 -5.8597 -5.8597 -5.8597 4.3085 4.3085 4.3103 4.3103 5.3000 5.3000 5.3060 5.3060 5.5192 5.5192 5.5759 5.5759 6.8536 6.8536 6.8550 6.8550 7.4228 7.4228 7.4299 7.4299 7.7173 7.7173 7.7422 7.7422 13.4478 13.4478 13.4939 13.4939 13.8883 13.8883 13.8981 13.8981 14.7479 14.7479 k = 0.2317 0.5000-0.0000 ( 3688 PWs) bands (ev): -32.1417 -32.1417 -32.1417 -32.1417 -13.3811 -13.3811 -13.2943 -13.2943 -12.1846 -12.1846 -11.9917 -11.9917 -11.7570 -11.7570 -11.6864 -11.6864 -6.6775 -6.6775 -6.6228 -6.6228 -5.8598 -5.8598 -5.8597 -5.8597 4.3129 4.3129 4.3142 4.3142 5.2766 5.2766 5.2820 5.2820 5.4945 5.4945 5.5512 5.5512 6.8533 6.8533 6.8550 6.8550 7.4490 7.4490 7.4576 7.4576 7.7343 7.7343 7.7600 7.7600 13.4606 13.4606 13.5079 13.5079 13.9306 13.9306 13.9407 13.9407 14.7448 14.7448 k = 0.2439 0.5000-0.0000 ( 3688 PWs) bands (ev): -32.1413 -32.1413 -32.1413 -32.1413 -13.3839 -13.3839 -13.2965 -13.2965 -12.1890 -12.1890 -11.9939 -11.9939 -11.7609 -11.7609 -11.6887 -11.6887 -6.6667 -6.6667 -6.6118 -6.6118 -5.8598 -5.8598 -5.8597 -5.8597 4.3163 4.3163 4.3169 4.3169 5.2531 5.2531 5.2574 5.2574 5.4750 5.4750 5.5311 5.5311 6.8511 6.8511 6.8531 6.8531 7.4724 7.4724 7.4821 7.4821 7.7526 7.7526 7.7786 7.7786 13.4734 13.4734 13.5216 13.5216 13.9763 13.9763 13.9868 13.9868 14.7431 14.7431 k = 0.2561 0.5000-0.0000 ( 3688 PWs) bands (ev): -32.1409 -32.1409 -32.1408 -32.1408 -13.3866 -13.3866 -13.2991 -13.2991 -12.1930 -12.1930 -11.9970 -11.9970 -11.7643 -11.7643 -11.6910 -11.6910 -6.6557 -6.6557 -6.6011 -6.6011 -5.8599 -5.8599 -5.8598 -5.8598 4.3185 4.3185 4.3185 4.3185 5.2291 5.2291 5.2319 5.2319 5.4612 5.4612 5.5160 5.5160 6.8468 6.8468 6.8492 6.8492 7.4934 7.4934 7.5038 7.5038 7.7719 7.7719 7.7980 7.7980 13.4866 13.4866 13.5354 13.5354 14.0249 14.0249 14.0359 14.0359 14.7429 14.7429 k = 0.2683 0.5000-0.0000 ( 3692 PWs) bands (ev): -32.1404 -32.1404 -32.1404 -32.1404 -13.3891 -13.3891 -13.3021 -13.3021 -12.1964 -12.1964 -12.0008 -12.0008 -11.7670 -11.7670 -11.6933 -11.6933 -6.6448 -6.6448 -6.5906 -6.5906 -5.8599 -5.8599 -5.8598 -5.8598 4.3188 4.3188 4.3194 4.3194 5.2046 5.2046 5.2056 5.2056 5.4532 5.4532 5.5063 5.5063 6.8401 6.8401 6.8430 6.8430 7.5123 7.5123 7.5231 7.5231 7.7920 7.7920 7.8177 7.8177 13.5005 13.5005 13.5495 13.5495 14.0758 14.0758 14.0875 14.0875 14.7441 14.7441 k = 0.2805 0.5000-0.0000 ( 3688 PWs) bands (ev): -32.1400 -32.1400 -32.1400 -32.1400 -13.3913 -13.3913 -13.3053 -13.3053 -12.1992 -12.1992 -12.0054 -12.0054 -11.7692 -11.7692 -11.6957 -11.6957 -6.6338 -6.6338 -6.5806 -6.5806 -5.8600 -5.8600 -5.8599 -5.8599 4.3179 4.3179 4.3190 4.3190 5.1786 5.1786 5.1796 5.1796 5.4509 5.4509 5.5020 5.5020 6.8310 6.8310 6.8344 6.8344 7.5296 7.5296 7.5405 7.5405 7.8123 7.8123 7.8374 7.8374 13.5151 13.5151 13.5641 13.5641 14.1287 14.1287 14.1411 14.1411 14.7468 14.7468 k = 0.2927 0.5000-0.0000 ( 3700 PWs) bands (ev): -32.1396 -32.1396 -32.1396 -32.1396 -13.3934 -13.3934 -13.3089 -13.3089 -12.2014 -12.2014 -12.0107 -12.0107 -11.7707 -11.7707 -11.6981 -11.6981 -6.6230 -6.6230 -6.5709 -6.5709 -5.8601 -5.8601 -5.8600 -5.8600 4.3158 4.3158 4.3175 4.3175 5.1514 5.1514 5.1542 5.1542 5.4540 5.4540 5.5029 5.5029 6.8192 6.8192 6.8232 6.8232 7.5457 7.5457 7.5564 7.5564 7.8324 7.8324 7.8566 7.8566 13.5306 13.5306 13.5794 13.5794 14.1831 14.1831 14.1961 14.1961 14.7510 14.7510 k = 0.3049 0.5000-0.0000 ( 3712 PWs) bands (ev): -32.1392 -32.1392 -32.1392 -32.1392 -13.3952 -13.3952 -13.3127 -13.3127 -12.2029 -12.2029 -12.0168 -12.0168 -11.7717 -11.7717 -11.7005 -11.7005 -6.6124 -6.6124 -6.5617 -6.5617 -5.8602 -5.8602 -5.8600 -5.8600 4.3127 4.3127 4.3148 4.3148 5.1243 5.1243 5.1287 5.1287 5.4621 5.4621 5.5088 5.5088 6.8049 6.8049 6.8095 6.8095 7.5609 7.5609 7.5714 7.5714 7.8519 7.8519 7.8751 7.8751 13.5470 13.5470 13.5953 13.5953 14.2386 14.2386 14.2522 14.2522 14.7566 14.7566 k = 0.3171 0.5000-0.0000 ( 3700 PWs) bands (ev): -32.1389 -32.1389 -32.1389 -32.1389 -13.3967 -13.3967 -13.3168 -13.3168 -12.2039 -12.2039 -12.0233 -12.0233 -11.7721 -11.7721 -11.7029 -11.7029 -6.6019 -6.6019 -6.5529 -6.5529 -5.8602 -5.8602 -5.8601 -5.8601 4.3087 4.3087 4.3112 4.3112 5.0978 5.0978 5.1035 5.1035 5.4746 5.4746 5.5192 5.5192 6.7879 6.7879 6.7931 6.7931 7.5756 7.5756 7.5858 7.5858 7.8705 7.8705 7.8926 7.8926 13.5642 13.5642 13.6120 13.6120 14.2949 14.2949 14.3090 14.3090 14.7636 14.7636 k = 0.3293 0.5000-0.0000 ( 3706 PWs) bands (ev): -32.1385 -32.1385 -32.1385 -32.1385 -13.3980 -13.3980 -13.3211 -13.3211 -12.2042 -12.2042 -12.0305 -12.0305 -11.7720 -11.7720 -11.7053 -11.7053 -6.5917 -6.5917 -6.5448 -6.5448 -5.8603 -5.8603 -5.8602 -5.8602 4.3040 4.3040 4.3068 4.3068 5.0721 5.0721 5.0788 5.0788 5.4910 5.4910 5.5336 5.5336 6.7685 6.7685 6.7743 6.7743 7.5899 7.5899 7.5998 7.5998 7.8879 7.8879 7.9089 7.9089 13.5823 13.5823 13.6291 13.6291 14.3514 14.3514 14.3659 14.3659 14.7720 14.7720 k = 0.3415 0.5000-0.0000 ( 3698 PWs) bands (ev): -32.1381 -32.1381 -32.1381 -32.1381 -13.3990 -13.3990 -13.3255 -13.3255 -12.2038 -12.2038 -12.0381 -12.0381 -11.7714 -11.7714 -11.7078 -11.7078 -6.5819 -6.5819 -6.5372 -6.5372 -5.8604 -5.8604 -5.8602 -5.8602 4.2986 4.2986 4.3016 4.3016 5.0476 5.0476 5.0549 5.0549 5.5109 5.5109 5.5516 5.5516 6.7467 6.7467 6.7532 6.7532 7.6041 7.6041 7.6135 7.6135 7.9039 7.9039 7.9237 7.9237 13.6010 13.6010 13.6466 13.6466 14.4078 14.4078 14.4225 14.4225 14.7815 14.7815 k = 0.3537 0.5000-0.0000 ( 3704 PWs) bands (ev): -32.1378 -32.1378 -32.1378 -32.1378 -13.3998 -13.3998 -13.3301 -13.3301 -12.2028 -12.2028 -12.0461 -12.0461 -11.7705 -11.7705 -11.7103 -11.7103 -6.5724 -6.5724 -6.5302 -6.5302 -5.8605 -5.8605 -5.8603 -5.8603 4.2929 4.2929 4.2960 4.2960 5.0243 5.0243 5.0321 5.0321 5.5338 5.5338 5.5725 5.5725 6.7228 6.7228 6.7299 6.7299 7.6181 7.6181 7.6271 7.6271 7.9183 7.9183 7.9370 7.9370 13.6203 13.6203 13.6644 13.6644 14.4638 14.4638 14.4784 14.4784 14.7922 14.7922 k = 0.3659 0.5000-0.0000 ( 3708 PWs) bands (ev): -32.1375 -32.1375 -32.1375 -32.1375 -13.4002 -13.4002 -13.3349 -13.3349 -12.2012 -12.2012 -12.0543 -12.0543 -11.7691 -11.7691 -11.7128 -11.7128 -6.5633 -6.5633 -6.5238 -6.5238 -5.8605 -5.8605 -5.8604 -5.8604 4.2869 4.2869 4.2901 4.2901 5.0026 5.0026 5.0105 5.0105 5.5591 5.5591 5.5958 5.5958 6.6970 6.6970 6.7048 6.7048 7.6319 7.6319 7.6405 7.6405 7.9313 7.9313 7.9487 7.9487 13.6398 13.6398 13.6822 13.6822 14.5187 14.5187 14.5330 14.5330 14.8039 14.8039 k = 0.3780 0.5000-0.0000 ( 3708 PWs) bands (ev): -32.1372 -32.1372 -32.1372 -32.1372 -13.4003 -13.4003 -13.3396 -13.3396 -12.1989 -12.1989 -12.0628 -12.0628 -11.7675 -11.7675 -11.7154 -11.7154 -6.5547 -6.5547 -6.5181 -6.5181 -5.8606 -5.8606 -5.8605 -5.8605 4.2809 4.2809 4.2840 4.2840 4.9825 4.9825 4.9903 4.9903 5.5864 5.5864 5.6211 5.6211 6.6699 6.6699 6.6782 6.6782 7.6454 7.6454 7.6536 7.6536 7.9426 7.9426 7.9588 7.9588 13.6594 13.6594 13.6997 13.6997 14.5722 14.5722 14.5857 14.5857 14.8167 14.8167 k = 0.3902 0.5000-0.0000 ( 3712 PWs) bands (ev): -32.1369 -32.1369 -32.1369 -32.1369 -13.4000 -13.4000 -13.3445 -13.3445 -12.1961 -12.1961 -12.0715 -12.0715 -11.7656 -11.7656 -11.7180 -11.7180 -6.5466 -6.5466 -6.5131 -6.5131 -5.8607 -5.8607 -5.8605 -5.8605 4.2750 4.2750 4.2780 4.2780 4.9641 4.9641 4.9717 4.9717 5.6151 5.6151 5.6476 5.6476 6.6417 6.6417 6.6504 6.6504 7.6586 7.6586 7.6663 7.6663 7.9524 7.9524 7.9673 7.9673 13.6789 13.6789 13.7167 13.7167 14.6237 14.6237 14.6358 14.6358 14.8305 14.8305 k = 0.4024 0.5000-0.0000 ( 3712 PWs) bands (ev): -32.1367 -32.1367 -32.1367 -32.1367 -13.3995 -13.3995 -13.3493 -13.3493 -12.1926 -12.1926 -12.0802 -12.0802 -11.7635 -11.7635 -11.7206 -11.7206 -6.5391 -6.5391 -6.5088 -6.5088 -5.8607 -5.8607 -5.8606 -5.8606 4.2693 4.2693 4.2722 4.2722 4.9475 4.9475 4.9547 4.9547 5.6446 5.6446 5.6749 5.6749 6.6131 6.6131 6.6221 6.6221 7.6713 7.6713 7.6784 7.6784 7.9607 7.9607 7.9743 7.9743 13.6978 13.6978 13.7328 13.7328 14.6725 14.6725 14.6824 14.6824 14.8454 14.8454 k = 0.4146 0.5000-0.0000 ( 3716 PWs) bands (ev): -32.1364 -32.1364 -32.1364 -32.1364 -13.3986 -13.3986 -13.3540 -13.3540 -12.1886 -12.1886 -12.0890 -12.0890 -11.7612 -11.7612 -11.7232 -11.7232 -6.5321 -6.5321 -6.5053 -6.5053 -5.8608 -5.8608 -5.8606 -5.8606 4.2641 4.2641 4.2667 4.2667 4.9329 4.9329 4.9394 4.9394 5.6743 5.6743 5.7021 5.7021 6.5846 6.5846 6.5937 6.5937 7.6833 7.6833 7.6898 7.6898 7.9677 7.9677 7.9798 7.9798 13.7159 13.7159 13.7477 13.7477 14.7178 14.7178 14.7243 14.7243 14.8619 14.8619 k = 0.4268 0.5000-0.0000 ( 3716 PWs) bands (ev): -32.1363 -32.1363 -32.1362 -32.1362 -13.3973 -13.3973 -13.3587 -13.3587 -12.1841 -12.1841 -12.0977 -12.0977 -11.7588 -11.7588 -11.7259 -11.7259 -6.5257 -6.5257 -6.5024 -6.5024 -5.8608 -5.8608 -5.8607 -5.8607 4.2593 4.2593 4.2616 4.2616 4.9202 4.9202 4.9260 4.9260 5.7034 5.7034 5.7285 5.7285 6.5570 6.5570 6.5659 6.5659 7.6944 7.6944 7.7002 7.7002 7.9734 7.9734 7.9841 7.9841 13.7329 13.7329 13.7611 13.7611 14.7584 14.7584 14.7604 14.7604 14.8802 14.8802 k = 0.4390 0.5000-0.0000 ( 3708 PWs) bands (ev): -32.1361 -32.1361 -32.1361 -32.1361 -13.3957 -13.3957 -13.3632 -13.3632 -12.1790 -12.1790 -12.1064 -12.1064 -11.7563 -11.7563 -11.7286 -11.7286 -6.5199 -6.5199 -6.5003 -6.5003 -5.8608 -5.8608 -5.8607 -5.8607 4.2551 4.2551 4.2572 4.2572 4.9095 4.9095 4.9145 4.9145 5.7312 5.7312 5.7531 5.7531 6.5311 6.5311 6.5396 6.5396 7.7044 7.7044 7.7094 7.7094 7.9780 7.9780 7.9872 7.9872 13.7484 13.7484 13.7727 13.7727 14.7896 14.7896 14.7928 14.7928 14.9001 14.9001 k = 0.4512 0.5000-0.0000 ( 3708 PWs) bands (ev): -32.1359 -32.1359 -32.1359 -32.1359 -13.3938 -13.3938 -13.3676 -13.3676 -12.1734 -12.1734 -12.1149 -12.1149 -11.7536 -11.7536 -11.7314 -11.7314 -6.5147 -6.5147 -6.4990 -6.4990 -5.8609 -5.8609 -5.8608 -5.8608 4.2517 4.2517 4.2533 4.2533 4.9007 4.9007 4.9049 4.9049 5.7566 5.7566 5.7751 5.7751 6.5079 6.5079 6.5156 6.5156 7.7130 7.7130 7.7172 7.7172 7.9817 7.9817 7.9892 7.9892 13.7622 13.7622 13.7821 13.7821 14.8120 14.8120 14.8193 14.8193 14.9146 14.9146 k = 0.4634 0.5000-0.0000 ( 3708 PWs) bands (ev): -32.1358 -32.1358 -32.1358 -32.1358 -13.3916 -13.3916 -13.3718 -13.3718 -12.1674 -12.1674 -12.1232 -12.1232 -11.7509 -11.7509 -11.7341 -11.7341 -6.5102 -6.5102 -6.4984 -6.4984 -5.8609 -5.8609 -5.8608 -5.8608 4.2489 4.2489 4.2502 4.2502 4.8941 4.8941 4.8972 4.8972 5.7787 5.7787 5.7932 5.7932 6.4886 6.4886 6.4950 6.4950 7.7201 7.7201 7.7234 7.7234 7.9846 7.9846 7.9903 7.9903 13.7739 13.7739 13.7891 13.7891 14.8285 14.8285 14.8373 14.8373 14.9307 14.9307 k = 0.4756 0.5000-0.0000 ( 3700 PWs) bands (ev): -32.1358 -32.1358 -32.1358 -32.1358 -13.3890 -13.3890 -13.3757 -13.3757 -12.1609 -12.1609 -12.1314 -12.1314 -11.7481 -11.7481 -11.7369 -11.7369 -6.5065 -6.5065 -6.4985 -6.4985 -5.8609 -5.8609 -5.8609 -5.8609 4.2470 4.2470 4.2479 4.2479 4.8895 4.8895 4.8916 4.8916 5.7964 5.7964 5.8064 5.8064 6.4742 6.4742 6.4787 6.4787 7.7256 7.7256 7.7278 7.7278 7.9869 7.9869 7.9907 7.9907 13.7832 13.7832 13.7935 13.7935 14.8401 14.8401 14.8476 14.8476 14.9462 14.9462 k = 0.4878 0.5000-0.0000 ( 3684 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3861 -13.3861 -13.3794 -13.3794 -12.1540 -12.1540 -12.1392 -12.1392 -11.7453 -11.7453 -11.7397 -11.7397 -6.5034 -6.5034 -6.4994 -6.4994 -5.8609 -5.8609 -5.8609 -5.8609 4.2460 4.2460 4.2464 4.2464 4.8869 4.8869 4.8880 4.8880 5.8086 5.8086 5.8137 5.8137 6.4656 6.4656 6.4680 6.4680 7.7291 7.7291 7.7303 7.7303 7.9886 7.9886 7.9905 7.9905 13.7899 13.7899 13.7951 13.7951 14.8478 14.8478 14.8520 14.8520 14.9581 14.9581 k = 0.5000 0.5000-0.0000 ( 3672 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3829 -13.3829 -13.3829 -13.3829 -12.1468 -12.1468 -12.1468 -12.1468 -11.7425 -11.7425 -11.7425 -11.7425 -6.5010 -6.5010 -6.5010 -6.5010 -5.8609 -5.8609 -5.8609 -5.8609 4.2457 4.2457 4.2457 4.2457 4.8864 4.8864 4.8864 4.8864 5.8144 5.8144 5.8144 5.8144 6.4635 6.4635 6.4635 6.4635 7.7307 7.7307 7.7307 7.7307 7.9898 7.9898 7.9898 7.9898 13.7940 13.7940 13.7940 13.7940 14.8519 14.8519 14.8519 14.8519 14.9641 14.9641 k = 0.5000 0.5000-0.0000 ( 3672 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3829 -13.3829 -13.3829 -13.3829 -12.1468 -12.1468 -12.1468 -12.1468 -11.7425 -11.7425 -11.7425 -11.7425 -6.5010 -6.5010 -6.5010 -6.5010 -5.8609 -5.8609 -5.8609 -5.8609 4.2457 4.2457 4.2457 4.2457 4.8864 4.8864 4.8864 4.8864 5.8144 5.8144 5.8144 5.8144 6.4635 6.4635 6.4635 6.4635 7.7307 7.7307 7.7307 7.7307 7.9898 7.9898 7.9898 7.9898 13.7940 13.7940 13.7940 13.7940 14.8519 14.8519 14.8519 14.8519 14.9641 14.9641 k = 0.4912 0.4912-0.0000 ( 3684 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3862 -13.3862 -13.3794 -13.3794 -12.1541 -12.1541 -12.1391 -12.1391 -11.7454 -11.7454 -11.7397 -11.7397 -6.5034 -6.5034 -6.4994 -6.4994 -5.8612 -5.8612 -5.8606 -5.8606 4.2459 4.2459 4.2465 4.2465 4.8867 4.8867 4.8882 4.8882 5.8069 5.8069 5.8151 5.8151 6.4643 6.4643 6.4695 6.4695 7.7287 7.7287 7.7306 7.7306 7.9873 7.9873 7.9918 7.9918 13.7898 13.7898 13.7952 13.7952 14.8469 14.8469 14.8529 14.8529 14.9545 14.9545 k = 0.4825 0.4825-0.0000 ( 3704 PWs) bands (ev): -32.1358 -32.1358 -32.1357 -32.1357 -13.3891 -13.3891 -13.3756 -13.3756 -12.1612 -12.1612 -12.1311 -12.1311 -11.7483 -11.7483 -11.7368 -11.7368 -6.5066 -6.5066 -6.4985 -6.4985 -5.8621 -5.8621 -5.8596 -5.8596 4.2466 4.2466 4.2485 4.2485 4.8884 4.8884 4.8929 4.8929 5.7877 5.7877 5.8144 5.8144 6.4676 6.4676 6.4859 6.4859 7.7236 7.7236 7.7296 7.7296 7.9806 7.9806 7.9969 7.9969 13.7823 13.7823 13.7939 13.7939 14.8354 14.8354 14.8531 14.8531 14.9288 14.9288 k = 0.4737 0.4737-0.0000 ( 3704 PWs) bands (ev): -32.1360 -32.1360 -32.1357 -32.1357 -13.3918 -13.3918 -13.3715 -13.3715 -12.1678 -12.1678 -12.1227 -12.1227 -11.7511 -11.7511 -11.7339 -11.7339 -6.5105 -6.5105 -6.4984 -6.4984 -5.8637 -5.8637 -5.8580 -5.8580 4.2478 4.2478 4.2518 4.2518 4.8912 4.8912 4.9007 4.9007 5.7579 5.7579 5.8132 5.8132 6.4730 6.4730 6.5111 6.5111 7.7156 7.7156 7.7279 7.7279 7.9693 7.9693 8.0049 8.0049 13.7714 13.7714 13.7904 13.7904 14.8178 14.8178 14.8525 14.8525 14.8907 14.8907 k = 0.4649 0.4649-0.0000 ( 3712 PWs) bands (ev): -32.1363 -32.1363 -32.1356 -32.1356 -13.3941 -13.3941 -13.3671 -13.3671 -12.1740 -12.1740 -12.1141 -12.1141 -11.7540 -11.7540 -11.7310 -11.7310 -6.5151 -6.5151 -6.4990 -6.4990 -5.8659 -5.8659 -5.8558 -5.8558 4.2497 4.2497 4.2564 4.2564 4.8952 4.8952 4.9115 4.9115 5.7199 5.7199 5.8115 5.8115 6.4806 6.4806 6.5428 6.5428 7.7051 7.7051 7.7256 7.7256 7.9538 7.9538 8.0154 8.0154 13.7570 13.7570 13.7850 13.7850 14.7947 14.7947 14.8358 14.8358 14.8601 14.8601 k = 0.4561 0.4561-0.0000 ( 3712 PWs) bands (ev): -32.1366 -32.1366 -32.1356 -32.1356 -13.3962 -13.3962 -13.3624 -13.3624 -12.1798 -12.1798 -12.1052 -12.1052 -11.7568 -11.7568 -11.7281 -11.7281 -6.5205 -6.5205 -6.5004 -6.5004 -5.8686 -5.8686 -5.8530 -5.8530 4.2522 4.2522 4.2623 4.2623 4.9002 4.9002 4.9252 4.9252 5.6758 5.6758 5.8093 5.8093 6.4901 6.4901 6.5786 6.5786 7.6927 7.6927 7.7226 7.7226 7.9339 7.9339 8.0277 8.0277 13.7389 13.7389 13.7780 13.7780 14.7620 14.7620 14.7911 14.7911 14.8581 14.8581 k = 0.4474 0.4474-0.0000 ( 3718 PWs) bands (ev): -32.1370 -32.1370 -32.1356 -32.1356 -13.3980 -13.3980 -13.3575 -13.3575 -12.1851 -12.1851 -12.0961 -12.0961 -11.7597 -11.7597 -11.7252 -11.7252 -6.5266 -6.5266 -6.5026 -6.5026 -5.8720 -5.8720 -5.8496 -5.8496 4.2554 4.2554 4.2695 4.2695 4.9063 4.9063 4.9419 4.9419 5.6274 5.6274 5.8067 5.8067 6.5016 6.5016 6.6169 6.6169 7.6788 7.6788 7.7191 7.7191 7.9099 7.9099 8.0414 8.0414 13.7175 13.7175 13.7698 13.7698 14.7084 14.7084 14.7593 14.7593 14.8590 14.8590 k = 0.4386 0.4386-0.0000 ( 3716 PWs) bands (ev): -32.1374 -32.1374 -32.1356 -32.1356 -13.3994 -13.3994 -13.3523 -13.3523 -12.1900 -12.1900 -12.0867 -12.0867 -11.7625 -11.7625 -11.7222 -11.7222 -6.5334 -6.5334 -6.5055 -6.5055 -5.8760 -5.8760 -5.8457 -5.8457 4.2596 4.2596 4.2780 4.2780 4.9135 4.9135 4.9614 4.9614 5.5760 5.5760 5.8037 5.8037 6.5147 6.5147 6.6562 6.6562 7.6639 7.6639 7.7149 7.7149 7.8820 7.8820 8.0560 8.0560 13.6931 13.6931 13.7607 13.7607 14.6446 14.6446 14.7351 14.7351 14.8604 14.8604 k = 0.4298 0.4298-0.0000 ( 3720 PWs) bands (ev): -32.1379 -32.1379 -32.1355 -32.1355 -13.4006 -13.4006 -13.3468 -13.3468 -12.1944 -12.1944 -12.0772 -12.0772 -11.7654 -11.7654 -11.7192 -11.7192 -6.5410 -6.5410 -6.5092 -6.5092 -5.8805 -5.8805 -5.8412 -5.8412 4.2646 4.2646 4.2878 4.2878 4.9218 4.9218 4.9836 4.9836 5.5228 5.5228 5.8003 5.8003 6.5294 6.5294 6.6953 6.6953 7.6482 7.6482 7.7101 7.7101 7.8503 7.8503 8.0712 8.0712 13.6662 13.6662 13.7508 13.7508 14.5776 14.5776 14.7142 14.7142 14.8623 14.8623 k = 0.4211 0.4211-0.0000 ( 3720 PWs) bands (ev): -32.1385 -32.1385 -32.1355 -32.1355 -13.4016 -13.4016 -13.3411 -13.3411 -12.1983 -12.1983 -12.0675 -12.0675 -11.7682 -11.7682 -11.7162 -11.7162 -6.5492 -6.5492 -6.5137 -6.5137 -5.8855 -5.8855 -5.8363 -5.8363 4.2708 4.2708 4.2989 4.2989 4.9310 4.9310 5.0084 5.0084 5.4686 5.4686 5.7966 5.7966 6.5455 6.5455 6.7335 6.7335 7.6318 7.6318 7.7045 7.7045 7.8151 7.8151 8.0867 8.0867 13.6374 13.6374 13.7406 13.7406 14.5096 14.5096 14.6961 14.6961 14.8644 14.8644 k = 0.4123 0.4123-0.0000 ( 3708 PWs) bands (ev): -32.1392 -32.1392 -32.1354 -32.1354 -13.4022 -13.4022 -13.3352 -13.3352 -12.2017 -12.2017 -12.0576 -12.0576 -11.7710 -11.7710 -11.7131 -11.7131 -6.5581 -6.5581 -6.5190 -6.5190 -5.8911 -5.8911 -5.8309 -5.8309 4.2781 4.2781 4.3112 4.3112 4.9412 4.9412 5.0356 5.0356 5.4140 5.4140 5.7927 5.7927 6.5629 6.5629 6.7702 6.7702 7.6151 7.6151 7.6982 7.6982 7.7766 7.7766 8.1023 8.1023 13.6077 13.6077 13.7303 13.7303 14.4420 14.4420 14.6806 14.6806 14.8668 14.8668 k = 0.4035 0.4035-0.0000 ( 3708 PWs) bands (ev): -32.1399 -32.1399 -32.1354 -32.1354 -13.4026 -13.4026 -13.3291 -13.3291 -12.2046 -12.2046 -12.0475 -12.0475 -11.7737 -11.7737 -11.7101 -11.7101 -6.5678 -6.5678 -6.5250 -6.5250 -5.8971 -5.8971 -5.8251 -5.8251 4.2867 4.2867 4.3249 4.3249 4.9523 4.9523 5.0651 5.0651 5.3598 5.3598 5.7885 5.7885 6.5813 6.5813 6.8048 6.8048 7.5980 7.5980 7.6905 7.6905 7.7354 7.7354 8.1177 8.1177 13.5776 13.5776 13.7200 13.7200 14.3757 14.3757 14.6677 14.6677 14.8695 14.8695 k = 0.3947 0.3947-0.0000 ( 3704 PWs) bands (ev): -32.1406 -32.1406 -32.1353 -32.1353 -13.4027 -13.4027 -13.3227 -13.3227 -12.2070 -12.2070 -12.0374 -12.0374 -11.7764 -11.7764 -11.7069 -11.7069 -6.5781 -6.5781 -6.5318 -6.5318 -5.9035 -5.9035 -5.8189 -5.8189 4.2966 4.2966 4.3397 4.3397 4.9642 4.9642 5.0962 5.0962 5.3068 5.3068 5.7842 5.7842 6.6005 6.6005 6.8372 6.8372 7.5807 7.5807 7.6776 7.6776 7.6958 7.6958 8.1330 8.1330 13.5483 13.5483 13.7101 13.7101 14.3117 14.3117 14.6569 14.6569 14.8724 14.8724 k = 0.3860 0.3860-0.0000 ( 3702 PWs) bands (ev): -32.1414 -32.1414 -32.1352 -32.1352 -13.4026 -13.4026 -13.3162 -13.3162 -12.2088 -12.2088 -12.0271 -12.0271 -11.7790 -11.7790 -11.7038 -11.7038 -6.5891 -6.5891 -6.5394 -6.5394 -5.9103 -5.9103 -5.8124 -5.8124 4.3079 4.3079 4.3559 4.3559 4.9769 4.9769 5.1276 5.1276 5.2567 5.2567 5.7798 5.7798 6.6205 6.6205 6.8671 6.8671 7.5630 7.5630 7.6393 7.6393 7.6779 7.6779 8.1478 8.1478 13.5204 13.5204 13.7006 13.7006 14.2508 14.2508 14.6480 14.6480 14.8756 14.8756 k = 0.3772 0.3772-0.0000 ( 3710 PWs) bands (ev): -32.1423 -32.1423 -32.1352 -32.1352 -13.4023 -13.4023 -13.3095 -13.3095 -12.2101 -12.2101 -12.0168 -12.0168 -11.7815 -11.7815 -11.7006 -11.7006 -6.6009 -6.6009 -6.5477 -6.5477 -5.9175 -5.9175 -5.8057 -5.8057 4.3207 4.3207 4.3732 4.3732 4.9901 4.9901 5.1503 5.1503 5.2187 5.2187 5.7754 5.7754 6.6410 6.6410 6.8944 6.8944 7.5448 7.5448 7.5909 7.5909 7.6668 7.6668 8.1623 8.1623 13.4947 13.4947 13.6916 13.6916 14.1935 14.1935 14.6405 14.6405 14.8791 14.8791 k = 0.3684 0.3684-0.0000 ( 3708 PWs) bands (ev): -32.1432 -32.1432 -32.1351 -32.1351 -13.4017 -13.4017 -13.3026 -13.3026 -12.2108 -12.2108 -12.0065 -12.0065 -11.7839 -11.7839 -11.6973 -11.6973 -6.6134 -6.6134 -6.5568 -6.5568 -5.9249 -5.9249 -5.7987 -5.7987 4.3350 4.3350 4.3918 4.3918 5.0034 5.0034 5.1321 5.1321 5.2257 5.2257 5.7710 5.7710 6.6619 6.6619 6.9190 6.9190 7.5237 7.5237 7.5424 7.5424 7.6550 7.6550 8.1761 8.1761 13.4719 13.4719 13.6831 13.6831 14.1406 14.1406 14.6341 14.6341 14.8827 14.8827 k = 0.3596 0.3596-0.0000 ( 3716 PWs) bands (ev): -32.1442 -32.1442 -32.1350 -32.1350 -13.4010 -13.4010 -13.2956 -13.2956 -12.2110 -12.2110 -11.9961 -11.9961 -11.7861 -11.7861 -11.6941 -11.6941 -6.6266 -6.6266 -6.5667 -6.5667 -5.9324 -5.9324 -5.7916 -5.7916 4.3509 4.3509 4.4115 4.4115 5.0149 5.0149 5.0920 5.0920 5.2604 5.2604 5.7667 5.7667 6.6830 6.6830 6.9410 6.9410 7.4811 7.4811 7.5131 7.5131 7.6417 7.6417 8.1893 8.1893 13.4525 13.4525 13.6750 13.6750 14.0927 14.0927 14.6283 14.6283 14.8866 14.8866 k = 0.3509 0.3509-0.0000 ( 3720 PWs) bands (ev): -32.1452 -32.1452 -32.1349 -32.1349 -13.4000 -13.4000 -13.2884 -13.2884 -12.2107 -12.2107 -11.9858 -11.9858 -11.7881 -11.7881 -11.6908 -11.6908 -6.6406 -6.6406 -6.5773 -6.5773 -5.9401 -5.9401 -5.7843 -5.7843 4.3683 4.3683 4.4324 4.4324 5.0135 5.0135 5.0628 5.0628 5.3013 5.3013 5.7626 5.7626 6.7044 6.7044 6.9605 6.9605 7.4266 7.4266 7.4938 7.4938 7.6268 7.6268 8.2019 8.2019 13.4371 13.4371 13.6672 13.6672 14.0505 14.0505 14.6227 14.6227 14.8906 14.8906 k = 0.3421 0.3421-0.0000 ( 3730 PWs) bands (ev): -32.1463 -32.1463 -32.1348 -32.1348 -13.3989 -13.3989 -13.2811 -13.2811 -12.2099 -12.2099 -11.9755 -11.9755 -11.7899 -11.7899 -11.6875 -11.6875 -6.6554 -6.6554 -6.5886 -6.5886 -5.9478 -5.9478 -5.7769 -5.7769 4.3872 4.3872 4.4545 4.4545 4.9819 4.9819 5.0650 5.0650 5.3449 5.3449 5.7588 5.7588 6.7258 6.7258 6.9774 6.9774 7.3696 7.3696 7.4753 7.4753 7.6100 7.6100 8.2137 8.2137 13.4259 13.4259 13.6593 13.6593 14.0145 14.0145 14.6173 14.6173 14.8949 14.8949 k = 0.3333 0.3333-0.0000 ( 3726 PWs) bands (ev): -32.1474 -32.1474 -32.1348 -32.1348 -13.3976 -13.3976 -13.2737 -13.2737 -12.2085 -12.2085 -11.9654 -11.9654 -11.7914 -11.7914 -11.6841 -11.6841 -6.6710 -6.6710 -6.6006 -6.6006 -5.9555 -5.9555 -5.7696 -5.7696 4.4076 4.4076 4.4777 4.4777 4.9405 4.9405 5.0791 5.0791 5.3906 5.3906 5.7552 5.7552 6.7474 6.7474 6.9919 6.9919 7.3112 7.3112 7.4566 7.4566 7.5913 7.5913 8.2247 8.2247 13.4191 13.4191 13.6512 13.6512 13.9854 13.9854 14.6117 14.6117 14.8992 14.8992 k = 0.3246 0.3246-0.0000 ( 3728 PWs) bands (ev): -32.1485 -32.1485 -32.1347 -32.1347 -13.3962 -13.3962 -13.2662 -13.2662 -12.2066 -12.2066 -11.9553 -11.9553 -11.7925 -11.7925 -11.6808 -11.6808 -6.6874 -6.6874 -6.6133 -6.6133 -5.9630 -5.9630 -5.7622 -5.7622 4.4294 4.4294 4.5019 4.5019 4.8987 4.8987 5.0960 5.0960 5.4378 5.4378 5.7521 5.7521 6.7692 6.7692 7.0039 7.0039 7.2517 7.2517 7.4378 7.4378 7.5706 7.5706 8.2350 8.2350 13.4168 13.4168 13.6427 13.6427 13.9633 13.9633 14.6060 14.6060 14.9035 14.9035 k = 0.3158 0.3158-0.0000 ( 3726 PWs) bands (ev): -32.1497 -32.1497 -32.1346 -32.1346 -13.3947 -13.3947 -13.2586 -13.2586 -12.2042 -12.2042 -11.9455 -11.9455 -11.7932 -11.7932 -11.6774 -11.6774 -6.7047 -6.7047 -6.6265 -6.6265 -5.9703 -5.9703 -5.7550 -5.7550 4.4527 4.4527 4.5272 4.5272 4.8581 4.8581 5.1141 5.1141 5.4862 5.4862 5.7494 5.7494 6.7911 6.7911 7.0133 7.0133 7.1915 7.1915 7.4187 7.4187 7.5483 7.5483 8.2445 8.2445 13.4188 13.4188 13.6337 13.6337 13.9484 13.9484 14.6002 14.6002 14.9078 14.9078 k = 0.3070 0.3070-0.0000 ( 3713 PWs) bands (ev): -32.1509 -32.1509 -32.1345 -32.1345 -13.3930 -13.3930 -13.2509 -13.2509 -12.2014 -12.2014 -11.9360 -11.9360 -11.7934 -11.7934 -11.6741 -11.6741 -6.7230 -6.7230 -6.6404 -6.6404 -5.9773 -5.9773 -5.7478 -5.7478 4.4772 4.4772 4.5534 4.5534 4.8194 4.8194 5.1331 5.1331 5.5355 5.5355 5.7473 5.7473 6.8134 6.8134 7.0200 7.0200 7.1307 7.1307 7.3992 7.3992 7.5246 7.5246 8.2532 8.2532 13.4249 13.4249 13.6244 13.6244 13.9403 13.9403 14.5945 14.5945 14.9114 14.9114 k = 0.2982 0.2982-0.0000 ( 3709 PWs) bands (ev): -32.1521 -32.1521 -32.1344 -32.1344 -13.3913 -13.3913 -13.2431 -13.2431 -12.1981 -12.1981 -11.9268 -11.9268 -11.7930 -11.7930 -11.6707 -11.6707 -6.7421 -6.7421 -6.6547 -6.6547 -5.9840 -5.9840 -5.7408 -5.7408 4.5029 4.5029 4.5805 4.5805 4.7828 4.7828 5.1527 5.1527 5.5854 5.5854 5.7458 5.7458 6.8361 6.8361 7.0235 7.0235 7.0696 7.0696 7.3793 7.3793 7.5001 7.5001 8.2611 8.2611 13.4346 13.4346 13.6154 13.6154 13.9385 13.9385 14.5891 14.5891 14.9128 14.9128 k = 0.2895 0.2895-0.0000 ( 3711 PWs) bands (ev): -32.1534 -32.1534 -32.1343 -32.1343 -13.3895 -13.3895 -13.2353 -13.2353 -12.1945 -12.1945 -11.9181 -11.9181 -11.7919 -11.7919 -11.6673 -11.6673 -6.7623 -6.7623 -6.6695 -6.6695 -5.9903 -5.9903 -5.7340 -5.7340 4.5297 4.5297 4.6084 4.6084 4.7487 4.7487 5.1728 5.1728 5.6354 5.6354 5.7452 5.7452 6.8594 6.8594 7.0085 7.0085 7.0233 7.0233 7.3589 7.3589 7.4756 7.4756 8.2683 8.2683 13.4473 13.4473 13.6071 13.6071 13.9420 13.9420 14.5844 14.5844 14.9043 14.9043 k = 0.2807 0.2807-0.0000 ( 3713 PWs) bands (ev): -32.1546 -32.1546 -32.1342 -32.1342 -13.3876 -13.3876 -13.2275 -13.2275 -12.1905 -12.1905 -11.9098 -11.9098 -11.7901 -11.7901 -11.6640 -11.6640 -6.7834 -6.7834 -6.6846 -6.6846 -5.9961 -5.9961 -5.7274 -5.7274 4.5574 4.5574 4.6362 4.6362 4.7177 4.7177 5.1934 5.1934 5.6847 5.6847 5.7461 5.7461 6.8828 6.8828 6.9483 6.9483 7.0183 7.0183 7.3379 7.3379 7.4523 7.4523 8.2746 8.2746 13.4623 13.4623 13.6003 13.6003 13.9498 13.9498 14.5809 14.5809 14.8695 14.8695 k = 0.2719 0.2719-0.0000 ( 3701 PWs) bands (ev): -32.1559 -32.1559 -32.1341 -32.1341 -13.3857 -13.3857 -13.2196 -13.2196 -12.1862 -12.1862 -11.9021 -11.9021 -11.7874 -11.7874 -11.6607 -11.6607 -6.8055 -6.8055 -6.7000 -6.7000 -6.0014 -6.0014 -5.7211 -5.7211 4.5857 4.5857 4.6597 4.6597 4.6946 4.6946 5.2145 5.2145 5.7275 5.7275 5.7540 5.7540 6.8812 6.8812 6.9148 6.9148 7.0079 7.0079 7.3163 7.3163 7.4313 7.4313 8.2803 8.2803 13.4787 13.4787 13.5955 13.5955 13.9607 13.9607 14.5791 14.5791 14.8180 14.8180 k = 0.2632 0.2632-0.0000 ( 3699 PWs) bands (ev): -32.1572 -32.1572 -32.1340 -32.1340 -13.3838 -13.3838 -13.2117 -13.2117 -12.1816 -12.1816 -11.8949 -11.8949 -11.7838 -11.7838 -11.6574 -11.6574 -6.8285 -6.8285 -6.7157 -6.7157 -6.0062 -6.0062 -5.7150 -5.7150 4.6135 4.6135 4.6534 4.6534 4.7055 4.7055 5.2359 5.2359 5.7412 5.7412 5.7911 5.7911 6.8236 6.8236 6.9392 6.9392 6.9910 6.9910 7.2940 7.2940 7.4138 7.4138 8.2852 8.2852 13.4953 13.4953 13.5931 13.5931 13.9735 13.9735 14.5793 14.5793 14.7363 14.7363 k = 0.2544 0.2544-0.0000 ( 3699 PWs) bands (ev): -32.1585 -32.1585 -32.1339 -32.1339 -13.3819 -13.3819 -13.2039 -13.2039 -12.1768 -12.1768 -11.8883 -11.8883 -11.7793 -11.7793 -11.6541 -11.6541 -6.8524 -6.8524 -6.7315 -6.7315 -6.0104 -6.0104 -5.7093 -5.7093 4.6235 4.6235 4.6506 4.6506 4.7344 4.7344 5.2577 5.2577 5.7449 5.7449 5.8380 5.8380 6.7640 6.7640 6.9669 6.9669 6.9682 6.9682 7.2711 7.2711 7.4008 7.4008 8.2895 8.2895 13.5110 13.5110 13.5934 13.5934 13.9867 13.9867 14.5810 14.5810 14.6358 14.6358 k = 0.2456 0.2456-0.0000 ( 3699 PWs) bands (ev): -32.1597 -32.1597 -32.1338 -32.1338 -13.3799 -13.3799 -13.1960 -13.1960 -12.1719 -12.1719 -11.8823 -11.8823 -11.7739 -11.7739 -11.6509 -11.6509 -6.8772 -6.8772 -6.7475 -6.7475 -6.0140 -6.0140 -5.7040 -5.7040 4.6045 4.6045 4.6777 4.6777 4.7658 4.7658 5.2798 5.2798 5.7484 5.7484 5.8847 5.8847 6.7048 6.7048 6.9354 6.9354 6.9999 6.9999 7.2475 7.2475 7.3927 7.3927 8.2931 8.2931 13.5250 13.5250 13.5964 13.5964 13.9990 13.9990 14.5257 14.5257 14.5891 14.5891 k = 0.2368 0.2368-0.0000 ( 3699 PWs) bands (ev): -32.1610 -32.1610 -32.1337 -32.1337 -13.3781 -13.3781 -13.1882 -13.1882 -12.1669 -12.1669 -11.8767 -11.8767 -11.7677 -11.7677 -11.6478 -11.6478 -6.9028 -6.9028 -6.7636 -6.7636 -6.0172 -6.0172 -5.6989 -5.6989 4.5851 4.5851 4.7075 4.7075 4.7982 4.7982 5.3022 5.3022 5.7525 5.7525 5.9300 5.9300 6.6465 6.6465 6.8968 6.8968 7.0343 7.0343 7.2232 7.2232 7.3895 7.3895 8.2961 8.2961 13.5369 13.5369 13.6015 13.6015 14.0088 14.0088 14.4176 14.4176 14.5943 14.5943 k = 0.2281 0.2281-0.0000 ( 3691 PWs) bands (ev): -32.1623 -32.1623 -32.1336 -32.1336 -13.3762 -13.3762 -13.1804 -13.1804 -12.1618 -12.1618 -11.8715 -11.8715 -11.7608 -11.7608 -11.6447 -11.6447 -6.9290 -6.9290 -6.7796 -6.7796 -6.0197 -6.0197 -5.6943 -5.6943 4.5677 4.5677 4.7376 4.7376 4.8313 4.8313 5.3248 5.3248 5.7574 5.7574 5.9735 5.9735 6.5892 6.5892 6.8519 6.8519 7.0718 7.0718 7.1984 7.1984 7.3907 7.3907 8.2986 8.2986 13.5466 13.5466 13.6076 13.6076 14.0147 14.0147 14.3081 14.3081 14.5989 14.5989 k = 0.2193 0.2193-0.0000 ( 3687 PWs) bands (ev): -32.1636 -32.1636 -32.1335 -32.1335 -13.3744 -13.3744 -13.1727 -13.1727 -12.1568 -12.1568 -11.8664 -11.8664 -11.7532 -11.7532 -11.6417 -11.6417 -6.9558 -6.9558 -6.7956 -6.7956 -6.0217 -6.0217 -5.6900 -5.6900 4.5527 4.5527 4.7675 4.7675 4.8648 4.8648 5.3476 5.3476 5.7633 5.7633 6.0148 6.0148 6.5330 6.5330 6.8016 6.8016 7.1123 7.1123 7.1729 7.1729 7.3956 7.3956 8.3005 8.3005 13.5543 13.5543 13.6137 13.6137 14.0154 14.0154 14.1985 14.1985 14.5994 14.5994 k = 0.2105 0.2105-0.0000 ( 3687 PWs) bands (ev): -32.1648 -32.1648 -32.1334 -32.1334 -13.3726 -13.3726 -13.1651 -13.1651 -12.1519 -12.1519 -11.8616 -11.8616 -11.7452 -11.7452 -11.6387 -11.6387 -6.9830 -6.9830 -6.8116 -6.8116 -6.0232 -6.0232 -5.6861 -5.6861 4.5401 4.5401 4.7971 4.7971 4.8987 4.8987 5.3706 5.3706 5.7701 5.7701 6.0538 6.0538 6.4782 6.4782 6.7468 6.7468 7.1449 7.1449 7.1580 7.1580 7.4036 7.4036 8.3020 8.3020 13.5597 13.5597 13.6194 13.6194 14.0104 14.0104 14.0894 14.0894 14.5941 14.5941 k = 0.2018 0.2018-0.0000 ( 3683 PWs) bands (ev): -32.1661 -32.1661 -32.1333 -32.1333 -13.3709 -13.3709 -13.1575 -13.1575 -12.1471 -12.1471 -11.8567 -11.8567 -11.7368 -11.7368 -11.6358 -11.6358 -7.0107 -7.0107 -6.8274 -6.8274 -6.0242 -6.0242 -5.6825 -5.6825 4.5301 4.5301 4.8261 4.8261 4.9327 4.9327 5.3936 5.3936 5.7781 5.7781 6.0904 6.0904 6.4247 6.4247 6.6884 6.6884 7.1190 7.1190 7.2042 7.2042 7.4141 7.4141 8.3031 8.3031 13.5617 13.5617 13.6250 13.6250 13.9813 13.9813 14.0000 14.0000 14.5830 14.5830 k = 0.1930 0.1930-0.0000 ( 3691 PWs) bands (ev): -32.1673 -32.1673 -32.1332 -32.1332 -13.3693 -13.3693 -13.1501 -13.1501 -12.1425 -12.1425 -11.8517 -11.8517 -11.7282 -11.7282 -11.6330 -11.6330 -7.0385 -7.0385 -6.8430 -6.8430 -6.0247 -6.0247 -5.6793 -5.6793 4.5225 4.5225 4.8544 4.8544 4.9669 4.9669 5.4167 5.4167 5.7870 5.7870 6.1245 6.1245 6.3729 6.3729 6.6271 6.6271 7.0914 7.0914 7.2547 7.2547 7.4265 7.4265 8.3038 8.3038 13.5593 13.5593 13.6307 13.6307 13.8747 13.8747 13.9852 13.9852 14.5677 14.5677 k = 0.1842 0.1842-0.0000 ( 3683 PWs) bands (ev): -32.1685 -32.1685 -32.1332 -32.1332 -13.3677 -13.3677 -13.1428 -13.1428 -12.1382 -12.1382 -11.8466 -11.8466 -11.7195 -11.7195 -11.6302 -11.6302 -7.0664 -7.0664 -6.8584 -6.8584 -6.0249 -6.0249 -5.6765 -5.6765 4.5174 4.5174 4.8816 4.8816 5.0010 5.0010 5.4398 5.4398 5.7970 5.7970 6.1564 6.1564 6.3227 6.3227 6.5635 6.5635 7.0629 7.0629 7.3083 7.3083 7.4405 7.4405 8.3042 8.3042 13.5522 13.5522 13.6362 13.6362 13.7699 13.7699 13.9682 13.9682 14.5501 14.5501 k = 0.1754 0.1754-0.0000 ( 3683 PWs) bands (ev): -32.1697 -32.1697 -32.1331 -32.1331 -13.3663 -13.3663 -13.1356 -13.1356 -12.1341 -12.1341 -11.8412 -11.8412 -11.7107 -11.7107 -11.6275 -11.6275 -7.0942 -7.0942 -6.8735 -6.8735 -6.0246 -6.0246 -5.6740 -5.6740 4.5149 4.5149 4.9077 4.9077 5.0349 5.0349 5.4628 5.4628 5.8082 5.8082 6.1859 6.1859 6.2745 6.2745 6.4983 6.4983 7.0338 7.0338 7.3644 7.3644 7.4558 7.4558 8.3043 8.3043 13.5405 13.5405 13.6390 13.6390 13.6683 13.6683 13.9513 13.9513 14.5316 14.5316 k = 0.1667 0.1667-0.0000 ( 3689 PWs) bands (ev): -32.1708 -32.1708 -32.1330 -32.1330 -13.3649 -13.3649 -13.1287 -13.1287 -12.1303 -12.1303 -11.8356 -11.8356 -11.7020 -11.7020 -11.6249 -11.6249 -7.1218 -7.1218 -6.8883 -6.8883 -6.0240 -6.0240 -5.6719 -5.6719 4.5148 4.5148 4.9325 4.9325 5.0685 5.0685 5.4857 5.4857 5.8204 5.8204 6.2111 6.2111 6.2305 6.2305 6.4319 6.4319 7.0041 7.0041 7.4220 7.4220 7.4728 7.4728 8.3042 8.3042 13.5247 13.5247 13.5664 13.5664 13.6411 13.6411 13.9376 13.9376 14.5133 14.5133 k = 0.1579 0.1579-0.0000 ( 3691 PWs) bands (ev): -32.1719 -32.1719 -32.1329 -32.1329 -13.3636 -13.3636 -13.1219 -13.1219 -12.1268 -12.1268 -11.8298 -11.8298 -11.6935 -11.6935 -11.6223 -11.6223 -7.1491 -7.1491 -6.9027 -6.9027 -6.0232 -6.0232 -5.6701 -5.6701 4.5171 4.5171 4.9559 4.9559 5.1017 5.1017 5.5082 5.5082 5.8336 5.8336 6.1815 6.1815 6.2416 6.2416 6.3648 6.3648 6.9737 6.9737 7.4736 7.4736 7.4983 7.4983 8.3038 8.3038 13.4682 13.4682 13.5071 13.5071 13.6351 13.6351 13.9296 13.9296 14.4957 14.4957 k = 0.1491 0.1491-0.0000 ( 3683 PWs) bands (ev): -32.1730 -32.1730 -32.1328 -32.1328 -13.3624 -13.3624 -13.1153 -13.1153 -12.1236 -12.1236 -11.8237 -11.8237 -11.6852 -11.6852 -11.6197 -11.6197 -7.1759 -7.1759 -6.9167 -6.9167 -6.0220 -6.0220 -5.6686 -5.6686 4.5219 4.5219 4.9778 4.9778 5.1343 5.1343 5.5304 5.5304 5.8480 5.8480 6.1392 6.1392 6.2657 6.2657 6.2975 6.2975 6.9429 6.9429 7.4988 7.4988 7.5518 7.5518 8.3033 8.3033 13.3742 13.3742 13.4858 13.4858 13.6222 13.6222 13.9292 13.9292 14.4793 14.4793 k = 0.1404 0.1404-0.0000 ( 3693 PWs) bands (ev): -32.1740 -32.1740 -32.1328 -32.1328 -13.3613 -13.3613 -13.1090 -13.1090 -12.1208 -12.1208 -11.8175 -11.8175 -11.6773 -11.6773 -11.6171 -11.6171 -7.2021 -7.2021 -6.9303 -6.9303 -6.0207 -6.0207 -5.6673 -5.6673 4.5290 4.5290 4.9981 4.9981 5.1662 5.1662 5.5522 5.5522 5.8633 5.8633 6.0987 6.0987 6.2299 6.2299 6.2891 6.2891 6.9116 6.9116 7.5165 7.5165 7.6137 7.6137 8.3027 8.3027 13.2834 13.2834 13.4630 13.4630 13.6024 13.6024 13.9364 13.9364 14.4641 14.4641 k = 0.1316 0.1316-0.0000 ( 3701 PWs) bands (ev): -32.1750 -32.1750 -32.1327 -32.1327 -13.3603 -13.3603 -13.1029 -13.1029 -12.1183 -12.1183 -11.8110 -11.8110 -11.6699 -11.6699 -11.6145 -11.6145 -7.2275 -7.2275 -6.9433 -6.9433 -6.0192 -6.0192 -5.6664 -5.6664 4.5383 4.5383 5.0167 5.0167 5.1972 5.1972 5.5733 5.5733 5.8797 5.8797 6.0603 6.0603 6.1631 6.1631 6.3112 6.3112 6.8800 6.8800 7.5331 7.5331 7.6770 7.6770 8.3020 8.3020 13.1962 13.1962 13.4390 13.4390 13.5770 13.5770 13.9501 13.9501 14.4499 14.4499 k = 0.1228 0.1228-0.0000 ( 3701 PWs) bands (ev): -32.1759 -32.1759 -32.1326 -32.1326 -13.3593 -13.3593 -13.0970 -13.0970 -12.1161 -12.1161 -11.8045 -11.8045 -11.6629 -11.6629 -11.6118 -11.6118 -7.2519 -7.2519 -6.9558 -6.9558 -6.0176 -6.0176 -5.6656 -5.6656 4.5498 4.5498 5.0336 5.0336 5.2272 5.2272 5.5936 5.5936 5.8970 5.8970 6.0240 6.0240 6.0972 6.0972 6.3323 6.3323 6.8482 6.8482 7.5490 7.5490 7.7403 7.7403 8.3012 8.3012 13.1131 13.1131 13.4143 13.4143 13.5478 13.5478 13.9686 13.9686 14.4073 14.4073 k = 0.1140 0.1140-0.0000 ( 3699 PWs) bands (ev): -32.1768 -32.1768 -32.1326 -32.1326 -13.3585 -13.3585 -13.0915 -13.0915 -12.1141 -12.1141 -11.7980 -11.7980 -11.6566 -11.6566 -11.6090 -11.6090 -7.2754 -7.2754 -6.9676 -6.9676 -6.0159 -6.0159 -5.6650 -5.6650 4.5634 4.5634 5.0489 5.0489 5.2559 5.2559 5.6130 5.6130 5.9150 5.9150 5.9897 5.9897 6.0328 6.0328 6.3524 6.3524 6.8162 6.8162 7.5644 7.5644 7.8028 7.8028 8.3004 8.3004 13.0343 13.0343 13.3894 13.3894 13.5164 13.5164 13.9900 13.9900 14.3450 14.3450 k = 0.1053 0.1053-0.0000 ( 3705 PWs) bands (ev): -32.1776 -32.1776 -32.1325 -32.1325 -13.3577 -13.3577 -13.0863 -13.0863 -12.1125 -12.1125 -11.7914 -11.7914 -11.6509 -11.6509 -11.6061 -11.6061 -7.2977 -7.2977 -6.9788 -6.9788 -6.0142 -6.0142 -5.6646 -5.6646 4.5789 4.5789 5.0625 5.0625 5.2834 5.2834 5.6311 5.6311 5.9327 5.9327 5.9567 5.9567 5.9725 5.9725 6.3715 6.3715 6.7843 6.7843 7.5790 7.5790 7.8640 7.8640 8.2996 8.2996 12.9601 12.9601 13.3647 13.3647 13.4839 13.4839 14.0122 14.0122 14.2824 14.2824 k = 0.0965 0.0965-0.0000 ( 3697 PWs) bands (ev): -32.1783 -32.1783 -32.1325 -32.1325 -13.3570 -13.3570 -13.0814 -13.0814 -12.1110 -12.1110 -11.7850 -11.7850 -11.6460 -11.6460 -11.6030 -11.6030 -7.3187 -7.3187 -6.9893 -6.9893 -6.0124 -6.0124 -5.6644 -5.6644 4.5962 4.5962 5.0746 5.0746 5.3092 5.3092 5.6476 5.6476 5.9038 5.9038 5.9323 5.9323 5.9555 5.9555 6.3895 6.3895 6.7526 6.7526 7.5928 7.5928 7.9232 7.9232 8.2989 8.2989 12.8907 12.8907 13.3405 13.3405 13.4516 13.4516 14.0323 14.0323 14.2235 14.2235 k = 0.0877 0.0877-0.0000 ( 3693 PWs) bands (ev): -32.1791 -32.1791 -32.1324 -32.1324 -13.3564 -13.3564 -13.0769 -13.0769 -12.1098 -12.1098 -11.7788 -11.7788 -11.6418 -11.6418 -11.5997 -11.5997 -7.3382 -7.3382 -6.9990 -6.9990 -6.0107 -6.0107 -5.6643 -5.6643 4.6149 4.6149 5.0851 5.0851 5.3334 5.3334 5.6616 5.6616 5.8478 5.8478 5.9049 5.9049 5.9754 5.9754 6.4063 6.4063 6.7214 6.7214 7.6057 7.6057 7.9798 7.9798 8.2983 8.2983 12.8264 12.8264 13.3173 13.3173 13.4201 13.4201 14.0434 14.0434 14.1760 14.1760 k = 0.0789 0.0789-0.0000 ( 3685 PWs) bands (ev): -32.1797 -32.1797 -32.1324 -32.1324 -13.3558 -13.3558 -13.0727 -13.0727 -12.1088 -12.1088 -11.7728 -11.7728 -11.6383 -11.6383 -11.5965 -11.5965 -7.3563 -7.3563 -7.0080 -7.0080 -6.0090 -6.0090 -5.6643 -5.6643 4.6350 4.6350 5.0942 5.0942 5.3557 5.3557 5.6710 5.6710 5.7962 5.7962 5.8808 5.8808 5.9961 5.9961 6.4218 6.4218 6.6908 6.6908 7.6176 7.6176 8.0331 8.0331 8.2978 8.2978 12.7674 12.7674 13.2954 13.2954 13.3899 13.3899 14.0310 14.0310 14.1547 14.1547 k = 0.0702 0.0702-0.0000 ( 3685 PWs) bands (ev): -32.1803 -32.1803 -32.1323 -32.1323 -13.3554 -13.3554 -13.0689 -13.0689 -12.1080 -12.1080 -11.7673 -11.7673 -11.6356 -11.6356 -11.5932 -11.5932 -7.3728 -7.3728 -7.0161 -7.0161 -6.0075 -6.0075 -5.6643 -5.6643 4.6560 4.6560 5.1020 5.1020 5.3758 5.3758 5.6696 5.6696 5.7566 5.7566 5.8598 5.8598 6.0171 6.0171 6.4357 6.4357 6.6614 6.6614 7.6284 7.6284 8.0824 8.0824 8.2976 8.2976 12.7141 12.7141 13.2750 13.2750 13.3616 13.3616 13.9945 13.9945 14.1607 14.1607 k = 0.0614 0.0614-0.0000 ( 3685 PWs) bands (ev): -32.1808 -32.1808 -32.1323 -32.1323 -13.3550 -13.3550 -13.0655 -13.0655 -12.1073 -12.1073 -11.7621 -11.7621 -11.6334 -11.6334 -11.5900 -11.5900 -7.3875 -7.3875 -7.0233 -7.0233 -6.0060 -6.0060 -5.6644 -5.6644 4.6774 4.6774 5.1084 5.1084 5.3937 5.3937 5.6476 5.6476 5.7393 5.7393 5.8417 5.8417 6.0381 6.0381 6.4478 6.4478 6.6335 6.6335 7.6380 7.6380 8.1272 8.1272 8.2977 8.2977 12.6664 12.6664 13.2565 13.2565 13.3356 13.3356 13.9507 13.9507 14.1774 14.1774 k = 0.0526 0.0526-0.0000 ( 3689 PWs) bands (ev): -32.1813 -32.1813 -32.1323 -32.1323 -13.3546 -13.3546 -13.0626 -13.0626 -12.1067 -12.1067 -11.7574 -11.7574 -11.6317 -11.6317 -11.5871 -11.5871 -7.4005 -7.4005 -7.0297 -7.0297 -6.0047 -6.0047 -5.6646 -5.6646 4.6988 4.6988 5.1138 5.1138 5.4089 5.4089 5.6118 5.6118 5.7379 5.7379 5.8269 5.8269 6.0587 6.0587 6.4576 6.4576 6.6078 6.6078 7.6465 7.6465 8.1668 8.1668 8.2982 8.2982 12.6247 12.6247 13.2400 13.2400 13.3123 13.3123 13.9081 13.9081 14.1964 14.1964 k = 0.0439 0.0439-0.0000 ( 3687 PWs) bands (ev): -32.1816 -32.1816 -32.1322 -32.1322 -13.3543 -13.3543 -13.0601 -13.0601 -12.1063 -12.1063 -11.7534 -11.7534 -11.6304 -11.6304 -11.5844 -11.5844 -7.4116 -7.4116 -7.0351 -7.0351 -6.0036 -6.0036 -5.6647 -5.6647 4.7195 4.7195 5.1180 5.1180 5.4210 5.4210 5.5751 5.5751 5.7406 5.7406 5.8156 5.8156 6.0783 6.0783 6.4646 6.4646 6.5854 6.5854 7.6537 7.6537 8.2003 8.2003 8.2996 8.2996 12.5892 12.5892 13.2257 13.2257 13.2919 13.2919 13.8701 13.8701 14.2147 14.2147 k = 0.0351 0.0351-0.0000 ( 3677 PWs) bands (ev): -32.1820 -32.1820 -32.1322 -32.1322 -13.3541 -13.3541 -13.0580 -13.0580 -12.1059 -12.1059 -11.7499 -11.7499 -11.6294 -11.6294 -11.5821 -11.5821 -7.4207 -7.4207 -7.0396 -7.0396 -6.0027 -6.0027 -5.6648 -5.6648 4.7385 4.7385 5.1213 5.1213 5.4295 5.4295 5.5430 5.5430 5.7429 5.7429 5.8078 5.8078 6.0964 6.0964 6.4683 6.4683 6.5672 6.5672 7.6597 7.6597 8.2269 8.2269 8.3022 8.3022 12.5599 12.5599 13.2138 13.2138 13.2748 13.2748 13.8378 13.8378 14.2308 14.2308 k = 0.0263 0.0263-0.0000 ( 3677 PWs) bands (ev): -32.1822 -32.1822 -32.1322 -32.1322 -13.3539 -13.3539 -13.0564 -13.0564 -12.1057 -12.1057 -11.7472 -11.7472 -11.6287 -11.6287 -11.5803 -11.5803 -7.4279 -7.4279 -7.0431 -7.0431 -6.0019 -6.0019 -5.6650 -5.6650 4.7550 4.7550 5.1237 5.1237 5.4334 5.4334 5.5187 5.5187 5.7437 5.7437 5.8033 5.8033 6.1121 6.1121 6.4684 6.4684 6.5544 6.5544 7.6643 7.6643 8.2460 8.2460 8.3063 8.3063 12.5370 12.5370 13.2044 13.2044 13.2613 13.2613 13.8121 13.8121 14.2440 14.2440 k = 0.0175 0.0175-0.0000 ( 3681 PWs) bands (ev): -32.1824 -32.1824 -32.1322 -32.1322 -13.3538 -13.3538 -13.0552 -13.0552 -12.1055 -12.1055 -11.7452 -11.7452 -11.6283 -11.6283 -11.5790 -11.5790 -7.4331 -7.4331 -7.0456 -7.0456 -6.0013 -6.0013 -5.6651 -5.6651 4.7679 4.7679 5.1253 5.1253 5.4325 5.4325 5.5038 5.5038 5.7434 5.7434 5.8011 5.8011 6.1245 6.1245 6.4657 6.4657 6.5468 6.5468 7.6677 7.6677 8.2577 8.2577 8.3113 8.3113 12.5205 12.5205 13.1976 13.1976 13.2514 13.2514 13.7934 13.7934 14.2538 14.2538 k = 0.0088 0.0088-0.0000 ( 3675 PWs) bands (ev): -32.1825 -32.1825 -32.1322 -32.1322 -13.3537 -13.3537 -13.0545 -13.0545 -12.1054 -12.1054 -11.7440 -11.7440 -11.6280 -11.6280 -11.5781 -11.5781 -7.4362 -7.4362 -7.0471 -7.0471 -6.0010 -6.0010 -5.6651 -5.6651 4.7761 4.7761 5.1262 5.1262 5.4295 5.4295 5.4969 5.4969 5.7428 5.7428 5.8004 5.8004 6.1324 6.1324 6.4627 6.4627 6.5432 6.5432 7.6697 7.6697 8.2635 8.2635 8.3156 8.3156 12.5107 12.5107 13.1935 13.1935 13.2454 13.2454 13.7821 13.7821 14.2598 14.2598 k = 0.0000 0.0000 0.0000 ( 3679 PWs) bands (ev): -32.1825 -32.1825 -32.1322 -32.1322 -13.3537 -13.3537 -13.0543 -13.0543 -12.1054 -12.1054 -11.7436 -11.7436 -11.6280 -11.6280 -11.5779 -11.5779 -7.4372 -7.4372 -7.0476 -7.0476 -6.0009 -6.0009 -5.6652 -5.6652 4.7789 4.7789 5.1265 5.1265 5.4279 5.4279 5.4951 5.4951 5.7425 5.7425 5.8002 5.8002 6.1352 6.1352 6.4614 6.4614 6.5422 6.5422 7.6703 7.6703 8.2652 8.2652 8.3173 8.3173 12.5073 12.5073 13.1921 13.1921 13.2434 13.2434 13.7784 13.7784 14.2618 14.2618 k = 0.0000 0.0000 0.0000 ( 3679 PWs) bands (ev): -32.1825 -32.1825 -32.1322 -32.1322 -13.3537 -13.3537 -13.0543 -13.0543 -12.1054 -12.1054 -11.7436 -11.7436 -11.6280 -11.6280 -11.5779 -11.5779 -7.4372 -7.4372 -7.0476 -7.0476 -6.0009 -6.0009 -5.6652 -5.6652 4.7789 4.7789 5.1265 5.1265 5.4279 5.4279 5.4951 5.4951 5.7425 5.7425 5.8002 5.8002 6.1352 6.1352 6.4614 6.4614 6.5422 6.5422 7.6703 7.6703 8.2652 8.2652 8.3173 8.3173 12.5073 12.5073 13.1921 13.1921 13.2434 13.2434 13.7784 13.7784 14.2618 14.2618 k = 0.0000 0.0000 0.0123 ( 3679 PWs) bands (ev): -32.1825 -32.1825 -32.1322 -32.1322 -13.3536 -13.3536 -13.0543 -13.0543 -12.1053 -12.1053 -11.7435 -11.7435 -11.6281 -11.6281 -11.5779 -11.5779 -7.4365 -7.4365 -7.0476 -7.0476 -6.0029 -6.0029 -5.6637 -5.6637 4.7690 4.7690 5.1368 5.1368 5.4275 5.4275 5.4946 5.4946 5.7425 5.7425 5.8000 5.8000 6.1351 6.1351 6.4623 6.4623 6.5431 6.5431 7.6687 7.6687 8.2650 8.2650 8.3171 8.3171 12.5095 12.5095 13.1939 13.1939 13.2439 13.2439 13.7829 13.7829 14.2635 14.2635 k = 0.0000 0.0000 0.0247 ( 3671 PWs) bands (ev): -32.1825 -32.1825 -32.1322 -32.1322 -13.3535 -13.3535 -13.0545 -13.0545 -12.1051 -12.1051 -11.7435 -11.7435 -11.6285 -11.6285 -11.5779 -11.5779 -7.4342 -7.4342 -7.0476 -7.0476 -6.0089 -6.0089 -5.6595 -5.6595 4.7424 4.7424 5.1647 5.1647 5.4263 5.4263 5.4932 5.4932 5.7422 5.7422 5.7997 5.7997 6.1347 6.1347 6.4651 6.4651 6.5460 6.5460 7.6638 7.6638 8.2644 8.2644 8.3165 8.3165 12.5158 12.5158 13.1993 13.1993 13.2452 13.2452 13.7965 13.7965 14.2685 14.2685 k = 0.0000 0.0000 0.0370 ( 3671 PWs) bands (ev): -32.1825 -32.1825 -32.1322 -32.1322 -13.3532 -13.3532 -13.0547 -13.0547 -12.1048 -12.1048 -11.7434 -11.7434 -11.6293 -11.6293 -11.5780 -11.5780 -7.4305 -7.4305 -7.0476 -7.0476 -6.0185 -6.0185 -5.6529 -5.6529 4.7050 4.7050 5.2042 5.2042 5.4245 5.4245 5.4909 5.4909 5.7419 5.7419 5.7990 5.7990 6.1342 6.1342 6.4696 6.4696 6.5507 6.5507 7.6557 7.6557 8.2634 8.2634 8.3154 8.3154 12.5264 12.5264 13.2083 13.2083 13.2473 13.2473 13.8188 13.8188 14.2768 14.2769 k = 0.0000 0.0000 0.0493 ( 3659 PWs) bands (ev): -32.1825 -32.1825 -32.1322 -32.1322 -13.3529 -13.3529 -13.0551 -13.0551 -12.1044 -12.1044 -11.7434 -11.7434 -11.6302 -11.6302 -11.5781 -11.5781 -7.4253 -7.4253 -7.0476 -7.0476 -6.0313 -6.0313 -5.6443 -5.6443 4.6614 4.6614 5.2502 5.2502 5.4224 5.4224 5.4878 5.4878 5.7413 5.7413 5.7982 5.7982 6.1334 6.1334 6.4759 6.4759 6.5572 6.5572 7.6445 7.6445 8.2620 8.2620 8.3139 8.3139 12.5411 12.5411 13.2212 13.2212 13.2503 13.2503 13.8493 13.8493 14.2885 14.2885 k = 0.0000 0.0000 0.0616 ( 3667 PWs) bands (ev): -32.1825 -32.1825 -32.1322 -32.1322 -13.3525 -13.3525 -13.0556 -13.0556 -12.1039 -12.1039 -11.7433 -11.7433 -11.6315 -11.6315 -11.5782 -11.5782 -7.4187 -7.4187 -7.0476 -7.0476 -6.0467 -6.0467 -5.6341 -5.6341 4.6149 4.6149 5.2990 5.2990 5.4208 5.4208 5.4839 5.4839 5.7407 5.7407 5.7971 5.7971 6.1324 6.1324 6.4837 6.4837 6.5652 6.5652 7.6302 7.6302 8.2603 8.2603 8.3121 8.3121 12.5600 12.5600 13.2381 13.2381 13.2540 13.2540 13.8874 13.8874 14.3034 14.3034 k = 0.0000 0.0000 0.0740 ( 3659 PWs) bands (ev): -32.1824 -32.1824 -32.1322 -32.1322 -13.3520 -13.3520 -13.0561 -13.0561 -12.1033 -12.1033 -11.7431 -11.7431 -11.6330 -11.6330 -11.5783 -11.5783 -7.4108 -7.4108 -7.0476 -7.0476 -6.0643 -6.0643 -5.6229 -5.6229 4.5671 4.5671 5.3458 5.3458 5.4229 5.4229 5.4793 5.4793 5.7399 5.7399 5.7959 5.7959 6.1313 6.1313 6.4929 6.4929 6.5748 6.5748 7.6131 7.6131 8.2582 8.2582 8.3099 8.3099 12.5828 12.5828 13.2585 13.2585 13.2590 13.2590 13.9325 13.9325 14.3214 14.3214 k = 0.0000 0.0000 0.0863 ( 3659 PWs) bands (ev): -32.1824 -32.1824 -32.1323 -32.1323 -13.3514 -13.3514 -13.0567 -13.0567 -12.1026 -12.1026 -11.7430 -11.7430 -11.6347 -11.6347 -11.5784 -11.5784 -7.4017 -7.4017 -7.0476 -7.0476 -6.0835 -6.0835 -5.6110 -5.6110 4.5193 4.5193 5.3775 5.3775 5.4407 5.4407 5.4741 5.4741 5.7391 5.7391 5.7945 5.7945 6.1300 6.1300 6.5033 6.5033 6.5856 6.5856 7.5933 7.5933 8.2558 8.2558 8.3073 8.3073 12.6097 12.6097 13.2637 13.2637 13.2842 13.2842 13.9838 13.9838 14.3425 14.3425 k = 0.0000 0.0000 0.0986 ( 3651 PWs) bands (ev): -32.1824 -32.1824 -32.1323 -32.1323 -13.3508 -13.3508 -13.0574 -13.0574 -12.1019 -12.1019 -11.7429 -11.7429 -11.6365 -11.6365 -11.5786 -11.5786 -7.3914 -7.3914 -7.0476 -7.0476 -6.1041 -6.1041 -5.5987 -5.5987 4.4721 4.4721 5.3850 5.3850 5.4685 5.4685 5.4825 5.4825 5.7382 5.7382 5.7930 5.7930 6.1286 6.1286 6.5149 6.5149 6.5975 6.5975 7.5711 7.5711 8.2531 8.2531 8.3044 8.3044 12.6403 12.6403 13.2696 13.2696 13.3134 13.3134 14.0405 14.0405 14.3439 14.3439 k = 0.0000 0.0000 0.1109 ( 3647 PWs) bands (ev): -32.1823 -32.1823 -32.1323 -32.1323 -13.3501 -13.3501 -13.0582 -13.0582 -12.1010 -12.1010 -11.7427 -11.7427 -11.6386 -11.6386 -11.5788 -11.5788 -7.3800 -7.3800 -7.0476 -7.0476 -6.1256 -6.1256 -5.5864 -5.5864 4.4261 4.4261 5.3831 5.3831 5.4626 5.4626 5.5333 5.5333 5.7372 5.7372 5.7914 5.7914 6.1270 6.1270 6.5272 6.5272 6.6102 6.6102 7.5466 7.5466 8.2501 8.2501 8.3012 8.3012 12.6747 12.6747 13.2760 13.2760 13.3465 13.3465 14.1017 14.1017 14.3331 14.3331 k = 0.0000 0.0000 0.1233 ( 3659 PWs) bands (ev): -32.1823 -32.1823 -32.1324 -32.1324 -13.3494 -13.3494 -13.0590 -13.0590 -12.1001 -12.1001 -11.7425 -11.7425 -11.6407 -11.6407 -11.5789 -11.5789 -7.3678 -7.3678 -7.0476 -7.0476 -6.1478 -6.1478 -5.5742 -5.5742 4.3818 4.3818 5.3784 5.3784 5.4563 5.4563 5.5860 5.5860 5.7364 5.7364 5.7897 5.7897 6.1254 6.1254 6.5402 6.5402 6.6236 6.6236 7.5202 7.5202 8.2470 8.2470 8.2978 8.2978 12.7125 12.7125 13.2829 13.2829 13.3832 13.3832 14.1666 14.1666 14.3215 14.3215 k = 0.0000 0.0000 0.1356 ( 3659 PWs) bands (ev): -32.1823 -32.1823 -32.1324 -32.1324 -13.3486 -13.3486 -13.0598 -13.0598 -12.0992 -12.0992 -11.7424 -11.7424 -11.6430 -11.6430 -11.5791 -11.5791 -7.3549 -7.3549 -7.0476 -7.0476 -6.1703 -6.1703 -5.5623 -5.5623 4.3393 4.3393 5.3728 5.3728 5.4500 5.4500 5.6383 5.6383 5.7358 5.7358 5.7880 5.7880 6.1237 6.1237 6.5536 6.5536 6.6373 6.6373 7.4922 7.4922 8.2436 8.2436 8.2942 8.2942 12.7537 12.7537 13.2902 13.2902 13.4230 13.4230 14.2341 14.2341 14.3093 14.3093 k = 0.0000 0.0000 0.1479 ( 3651 PWs) bands (ev): -32.1822 -32.1822 -32.1324 -32.1324 -13.3478 -13.3478 -13.0607 -13.0607 -12.0982 -12.0982 -11.7422 -11.7422 -11.6452 -11.6452 -11.5793 -11.5793 -7.3413 -7.3413 -7.0476 -7.0476 -6.1929 -6.1929 -5.5509 -5.5509 4.2991 4.2991 5.3668 5.3668 5.4437 5.4437 5.6885 5.6885 5.7366 5.7366 5.7863 5.7863 6.1220 6.1220 6.5673 6.5673 6.6513 6.6513 7.4629 7.4629 8.2402 8.2402 8.2905 8.2905 12.7980 12.7980 13.2977 13.2977 13.4655 13.4655 14.2969 14.2969 14.3027 14.3027 k = 0.0000 0.0000 0.1602 ( 3655 PWs) bands (ev): -32.1822 -32.1822 -32.1325 -32.1325 -13.3470 -13.3470 -13.0615 -13.0615 -12.0973 -12.0973 -11.7420 -11.7420 -11.6475 -11.6475 -11.5795 -11.5795 -7.3275 -7.3275 -7.0475 -7.0475 -6.2152 -6.2152 -5.5401 -5.5401 4.2613 4.2613 5.3607 5.3607 5.4375 5.4375 5.7231 5.7231 5.7516 5.7516 5.7847 5.7847 6.1203 6.1203 6.5809 6.5809 6.6652 6.6652 7.4327 7.4327 8.2367 8.2367 8.2866 8.2866 12.8451 12.8451 13.3055 13.3055 13.5098 13.5098 14.2842 14.2842 14.3703 14.3703 k = 0.0000 0.0000 0.1726 ( 3651 PWs) bands (ev): -32.1822 -32.1822 -32.1325 -32.1325 -13.3463 -13.3463 -13.0624 -13.0624 -12.0963 -12.0963 -11.7418 -11.7418 -11.6498 -11.6498 -11.5797 -11.5797 -7.3134 -7.3134 -7.0475 -7.0475 -6.2371 -6.2371 -5.5300 -5.5300 4.2261 4.2261 5.3547 5.3547 5.4315 5.4315 5.7278 5.7278 5.7831 5.7831 5.7948 5.7948 6.1186 6.1186 6.5943 6.5943 6.6788 6.6788 7.4020 7.4020 8.2332 8.2332 8.2828 8.2828 12.8946 12.8946 13.3133 13.3133 13.5553 13.5553 14.2717 14.2717 14.4337 14.4337 k = 0.0000 0.0000 0.1849 ( 3643 PWs) bands (ev): -32.1821 -32.1821 -32.1325 -32.1325 -13.3455 -13.3455 -13.0632 -13.0632 -12.0954 -12.0954 -11.7416 -11.7416 -11.6520 -11.6520 -11.5799 -11.5799 -7.2994 -7.2994 -7.0475 -7.0475 -6.2582 -6.2582 -5.5206 -5.5206 4.1938 4.1938 5.3489 5.3489 5.4257 5.4257 5.7277 5.7277 5.7816 5.7816 5.8406 5.8406 6.1170 6.1170 6.6072 6.6072 6.6919 6.6919 7.3713 7.3713 8.2298 8.2298 8.2791 8.2791 12.9461 12.9461 13.3210 13.3210 13.6011 13.6011 14.2594 14.2594 14.4892 14.4892 k = 0.0000 0.0000 0.1972 ( 3655 PWs) bands (ev): -32.1821 -32.1821 -32.1326 -32.1326 -13.3448 -13.3448 -13.0640 -13.0640 -12.0945 -12.0945 -11.7415 -11.7415 -11.6540 -11.6540 -11.5800 -11.5800 -7.2858 -7.2858 -7.0475 -7.0475 -6.2783 -6.2783 -5.5120 -5.5120 4.1644 4.1644 5.3435 5.3435 5.4204 5.4204 5.7271 5.7271 5.7801 5.7801 5.8844 5.8844 6.1155 6.1155 6.6195 6.6195 6.7043 6.7043 7.3411 7.3411 8.2265 8.2265 8.2754 8.2754 12.9991 12.9991 13.3285 13.3285 13.6460 13.6460 14.2476 14.2476 14.5350 14.5350 k = 0.0000 0.0000 0.2095 ( 3667 PWs) bands (ev): -32.1821 -32.1821 -32.1326 -32.1326 -13.3441 -13.3441 -13.0647 -13.0647 -12.0937 -12.0937 -11.7413 -11.7413 -11.6560 -11.6560 -11.5802 -11.5802 -7.2728 -7.2728 -7.0475 -7.0475 -6.2970 -6.2970 -5.5044 -5.5044 4.1382 4.1382 5.3385 5.3385 5.4155 5.4155 5.7263 5.7263 5.7788 5.7788 5.9253 5.9253 6.1140 6.1140 6.6309 6.6309 6.7157 6.7157 7.3121 7.3121 8.2234 8.2234 8.2720 8.2720 13.0527 13.0527 13.3356 13.3356 13.6893 13.6893 14.2364 14.2364 14.5461 14.5461 k = 0.0000 0.0000 0.2219 ( 3659 PWs) bands (ev): -32.1820 -32.1820 -32.1326 -32.1326 -13.3435 -13.3435 -13.0654 -13.0654 -12.0929 -12.0929 -11.7412 -11.7412 -11.6577 -11.6577 -11.5803 -11.5803 -7.2607 -7.2607 -7.0475 -7.0475 -6.3141 -6.3141 -5.4976 -5.4976 4.1152 4.1152 5.3341 5.3341 5.4111 5.4111 5.7255 5.7255 5.7776 5.7776 5.9626 5.9626 6.1128 6.1128 6.6413 6.6413 6.7261 6.7261 7.2847 7.2847 8.2206 8.2206 8.2688 8.2688 13.1059 13.1059 13.3422 13.3422 13.7297 13.7297 14.2263 14.2263 14.4691 14.4691 k = 0.0000 0.0000 0.2342 ( 3659 PWs) bands (ev): -32.1820 -32.1820 -32.1327 -32.1327 -13.3430 -13.3430 -13.0660 -13.0660 -12.0923 -12.0923 -11.7410 -11.7410 -11.6592 -11.6592 -11.5805 -11.5805 -7.2497 -7.2497 -7.0475 -7.0475 -6.3292 -6.3292 -5.4919 -5.4919 4.0956 4.0956 5.3302 5.3302 5.4073 5.4073 5.7248 5.7248 5.7766 5.7766 5.9957 5.9957 6.1116 6.1116 6.6505 6.6505 6.7351 6.7351 7.2598 7.2598 8.2181 8.2181 8.2660 8.2660 13.1576 13.1576 13.3480 13.3480 13.7662 13.7662 14.2173 14.2173 14.3970 14.3970 k = 0.0000 0.0000 0.2465 ( 3644 PWs) bands (ev): -32.1820 -32.1820 -32.1327 -32.1327 -13.3425 -13.3425 -13.0664 -13.0664 -12.0917 -12.0917 -11.7409 -11.7409 -11.6605 -11.6605 -11.5806 -11.5806 -7.2403 -7.2403 -7.0475 -7.0475 -6.3421 -6.3421 -5.4871 -5.4871 4.0794 4.0794 5.3270 5.3270 5.4042 5.4042 5.7242 5.7242 5.7758 5.7758 6.0240 6.0240 6.1107 6.1107 6.6584 6.6584 6.7428 6.7428 7.2381 7.2381 8.2159 8.2159 8.2637 8.2637 13.2058 13.2058 13.3531 13.3531 13.7978 13.7978 14.2096 14.2096 14.3319 14.3319 k = 0.0000 0.0000 0.2588 ( 3644 PWs) bands (ev): -32.1820 -32.1820 -32.1327 -32.1327 -13.3422 -13.3422 -13.0668 -13.0668 -12.0913 -12.0913 -11.7408 -11.7408 -11.6616 -11.6616 -11.5806 -11.5806 -7.2326 -7.2326 -7.0475 -7.0475 -6.3524 -6.3524 -5.4834 -5.4834 4.0667 4.0667 5.3244 5.3244 5.4017 5.4017 5.7237 5.7237 5.7751 5.7751 6.0468 6.0468 6.1099 6.1099 6.6646 6.6646 6.7488 6.7488 7.2202 7.2202 8.2142 8.2142 8.2617 8.2617 13.2482 13.2482 13.3571 13.3571 13.8235 13.8235 14.2034 14.2034 14.2762 14.2762 k = 0.0000 0.0000 0.2712 ( 3648 PWs) bands (ev): -32.1820 -32.1820 -32.1327 -32.1327 -13.3419 -13.3419 -13.0671 -13.0671 -12.0909 -12.0909 -11.7408 -11.7408 -11.6623 -11.6623 -11.5807 -11.5807 -7.2270 -7.2270 -7.0475 -7.0475 -6.3600 -6.3600 -5.4807 -5.4807 4.0576 4.0576 5.3226 5.3226 5.3999 5.3999 5.7233 5.7233 5.7746 5.7746 6.0636 6.0636 6.1094 6.1094 6.6693 6.6693 6.7533 6.7533 7.2068 7.2068 8.2129 8.2129 8.2603 8.2603 13.2820 13.2820 13.3601 13.3601 13.8424 13.8424 14.1989 14.1989 14.2328 14.2328 k = 0.0000 0.0000 0.2835 ( 3652 PWs) bands (ev): -32.1820 -32.1820 -32.1327 -32.1327 -13.3417 -13.3417 -13.0673 -13.0673 -12.0907 -12.0907 -11.7407 -11.7407 -11.6628 -11.6628 -11.5808 -11.5808 -7.2235 -7.2235 -7.0475 -7.0475 -6.3646 -6.3646 -5.4791 -5.4791 4.0522 4.0522 5.3215 5.3215 5.3988 5.3988 5.7231 5.7231 5.7743 5.7743 6.0739 6.0739 6.1091 6.1091 6.6721 6.6721 6.7559 6.7559 7.1985 7.1985 8.2122 8.2122 8.2595 8.2595 13.3040 13.3040 13.3619 13.3619 13.8541 13.8541 14.1960 14.1960 14.2051 14.2051 k = 0.0000 0.0000 0.2958 ( 3652 PWs) bands (ev): -32.1820 -32.1820 -32.1327 -32.1327 -13.3417 -13.3417 -13.0674 -13.0674 -12.0907 -12.0907 -11.7407 -11.7407 -11.6629 -11.6629 -11.5808 -11.5808 -7.2223 -7.2223 -7.0475 -7.0475 -6.3662 -6.3662 -5.4786 -5.4786 4.0503 4.0503 5.3211 5.3211 5.3984 5.3984 5.7230 5.7230 5.7742 5.7742 6.0774 6.0774 6.1090 6.1090 6.6730 6.6730 6.7568 6.7568 7.1957 7.1957 8.2119 8.2119 8.2592 8.2592 13.3117 13.3117 13.3625 13.3625 13.8580 13.8580 14.1944 14.1944 14.1963 14.1963 k = 0.0000 0.0000 0.2958 ( 3652 PWs) bands (ev): -32.1820 -32.1820 -32.1327 -32.1327 -13.3417 -13.3417 -13.0674 -13.0674 -12.0907 -12.0907 -11.7407 -11.7407 -11.6629 -11.6629 -11.5808 -11.5808 -7.2223 -7.2223 -7.0475 -7.0475 -6.3662 -6.3662 -5.4786 -5.4786 4.0503 4.0503 5.3211 5.3211 5.3984 5.3984 5.7230 5.7230 5.7742 5.7742 6.0774 6.0774 6.1090 6.1090 6.6730 6.6730 6.7568 6.7568 7.1957 7.1957 8.2119 8.2119 8.2592 8.2592 13.3117 13.3117 13.3625 13.3625 13.8580 13.8580 14.1944 14.1944 14.1963 14.1963 k = 0.0000 0.0122 0.2958 ( 3654 PWs) bands (ev): -32.1819 -32.1819 -32.1327 -32.1327 -13.3417 -13.3417 -13.0676 -13.0676 -12.0907 -12.0907 -11.7412 -11.7412 -11.6629 -11.6629 -11.5810 -11.5810 -7.2216 -7.2216 -7.0470 -7.0470 -6.3657 -6.3657 -5.4789 -5.4789 4.0514 4.0514 5.3195 5.3195 5.3968 5.3968 5.7234 5.7234 5.7745 5.7745 6.0774 6.0774 6.1113 6.1113 6.6683 6.6683 6.7516 6.7516 7.2039 7.2039 8.2114 8.2114 8.2586 8.2586 13.3139 13.3139 13.3632 13.3632 13.8580 13.8580 14.1954 14.1954 14.1980 14.1980 k = 0.0000 0.0244 0.2958 ( 3664 PWs) bands (ev): -32.1818 -32.1818 -32.1327 -32.1327 -13.3419 -13.3419 -13.0682 -13.0682 -12.0909 -12.0909 -11.7427 -11.7427 -11.6627 -11.6627 -11.5816 -11.5816 -7.2195 -7.2195 -7.0455 -7.0455 -6.3643 -6.3643 -5.4800 -5.4800 4.0544 4.0544 5.3146 5.3146 5.3924 5.3924 5.7243 5.7243 5.7753 5.7753 6.0764 6.0764 6.1193 6.1193 6.6524 6.6524 6.7395 6.7395 7.2267 7.2267 8.2096 8.2096 8.2572 8.2572 13.3207 13.3207 13.3651 13.3651 13.8577 13.8577 14.1986 14.1986 14.2031 14.2031 k = 0.0000 0.0366 0.2958 ( 3660 PWs) bands (ev): -32.1817 -32.1817 -32.1327 -32.1327 -13.3421 -13.3421 -13.0693 -13.0693 -12.0912 -12.0912 -11.7452 -11.7452 -11.6624 -11.6624 -11.5827 -11.5827 -7.2159 -7.2159 -7.0429 -7.0429 -6.3619 -6.3619 -5.4818 -5.4818 4.0595 4.0595 5.3053 5.3053 5.3866 5.3866 5.7258 5.7258 5.7767 5.7767 6.0730 6.0730 6.1339 6.1339 6.6230 6.6230 6.7269 6.7269 7.2600 7.2600 8.2060 8.2060 8.2554 8.2554 13.3318 13.3318 13.3683 13.3683 13.8570 13.8570 14.2036 14.2036 14.2113 14.2113 k = 0.0000 0.0488 0.2958 ( 3670 PWs) bands (ev): -32.1814 -32.1814 -32.1327 -32.1327 -13.3425 -13.3425 -13.0708 -13.0708 -12.0916 -12.0916 -11.7485 -11.7485 -11.6621 -11.6621 -11.5841 -11.5841 -7.2110 -7.2110 -7.0394 -7.0394 -6.3587 -6.3587 -5.4844 -5.4844 4.0667 4.0667 5.2907 5.2907 5.3811 5.3811 5.7278 5.7278 5.7785 5.7785 6.0670 6.0670 6.1547 6.1547 6.5814 6.5814 6.7168 6.7168 7.2999 7.2999 8.2000 8.2000 8.2537 8.2537 13.3472 13.3472 13.3727 13.3727 13.8556 13.8556 14.2099 14.2099 14.2228 14.2228 k = 0.0000 0.0610 0.2958 ( 3678 PWs) bands (ev): -32.1811 -32.1811 -32.1328 -32.1328 -13.3429 -13.3429 -13.0728 -13.0728 -12.0921 -12.0921 -11.7526 -11.7526 -11.6618 -11.6618 -11.5859 -11.5859 -7.2047 -7.2047 -7.0350 -7.0350 -6.3544 -6.3544 -5.4876 -5.4876 4.0757 4.0757 5.2707 5.2707 5.3769 5.3769 5.7301 5.7301 5.7807 5.7807 6.0586 6.0586 6.1806 6.1806 6.5318 6.5318 6.7083 6.7083 7.3435 7.3435 8.1911 8.1911 8.2527 8.2527 13.3664 13.3664 13.3784 13.3784 13.8531 13.8531 14.2169 14.2169 14.2374 14.2374 k = 0.0000 0.0732 0.2958 ( 3680 PWs) bands (ev): -32.1808 -32.1808 -32.1328 -32.1328 -13.3434 -13.3434 -13.0752 -13.0752 -12.0927 -12.0927 -11.7575 -11.7575 -11.6616 -11.6616 -11.5879 -11.5879 -7.1971 -7.1971 -7.0297 -7.0297 -6.3492 -6.3492 -5.4915 -5.4915 4.0867 4.0867 5.2457 5.2457 5.3742 5.3742 5.7327 5.7327 5.7831 5.7831 6.0483 6.0483 6.2107 6.2107 6.4775 6.4775 6.7004 6.7004 7.3889 7.3889 8.1791 8.1791 8.2526 8.2526 13.3842 13.3842 13.3902 13.3902 13.8489 13.8489 14.2235 14.2235 14.2551 14.2551 k = 0.0000 0.0854 0.2958 ( 3676 PWs) bands (ev): -32.1803 -32.1803 -32.1328 -32.1328 -13.3440 -13.3440 -13.0780 -13.0780 -12.0935 -12.0935 -11.7631 -11.7631 -11.6615 -11.6615 -11.5902 -11.5902 -7.1883 -7.1883 -7.0237 -7.0237 -6.3431 -6.3431 -5.4961 -5.4961 4.0996 4.0996 5.2167 5.2167 5.3728 5.3728 5.7354 5.7354 5.7855 5.7855 6.0363 6.0363 6.2439 6.2439 6.4213 6.4213 6.6925 6.6925 7.4346 7.4346 8.1641 8.1641 8.2531 8.2531 13.3922 13.3922 13.4161 13.4161 13.8423 13.8423 14.2289 14.2289 14.2758 14.2758 k = 0.0000 0.0976 0.2958 ( 3678 PWs) bands (ev): -32.1798 -32.1798 -32.1329 -32.1329 -13.3447 -13.3447 -13.0812 -13.0812 -12.0943 -12.0943 -11.7693 -11.7693 -11.6615 -11.6615 -11.5927 -11.5927 -7.1783 -7.1783 -7.0168 -7.0168 -6.3360 -6.3360 -5.5013 -5.5013 4.1143 4.1143 5.1846 5.1846 5.3723 5.3723 5.7377 5.7377 5.7877 5.7877 6.0228 6.0228 6.2786 6.2786 6.3660 6.3660 6.6845 6.6845 7.4800 7.4800 8.1463 8.1463 8.2539 8.2539 13.4008 13.4008 13.4451 13.4451 13.8325 13.8325 14.2322 14.2322 14.2994 14.2994 k = 0.0000 0.1098 0.2958 ( 3678 PWs) bands (ev): -32.1793 -32.1793 -32.1329 -32.1329 -13.3454 -13.3454 -13.0849 -13.0849 -12.0952 -12.0952 -11.7761 -11.7761 -11.6617 -11.6617 -11.5953 -11.5953 -7.1673 -7.1673 -7.0094 -7.0094 -6.3280 -6.3280 -5.5071 -5.5071 4.1307 4.1307 5.1502 5.1502 5.3725 5.3725 5.7391 5.7391 5.7893 5.7893 6.0081 6.0081 6.2950 6.2950 6.3327 6.3327 6.6763 6.6763 7.5243 7.5243 8.1260 8.1260 8.2547 8.2547 13.4101 13.4101 13.4764 13.4764 13.8186 13.8186 14.2331 14.2331 14.3257 14.3257 k = 0.0000 0.1220 0.2958 ( 3676 PWs) bands (ev): -32.1787 -32.1787 -32.1330 -32.1330 -13.3463 -13.3463 -13.0890 -13.0890 -12.0963 -12.0963 -11.7833 -11.7833 -11.6621 -11.6621 -11.5980 -11.5980 -7.1552 -7.1552 -7.0013 -7.0013 -6.3191 -6.3191 -5.5136 -5.5136 4.1487 4.1487 5.1140 5.1140 5.3733 5.3733 5.7387 5.7387 5.7899 5.7899 5.9923 5.9923 6.2514 6.2514 6.3645 6.3645 6.6679 6.6679 7.5672 7.5672 8.1034 8.1034 8.2552 8.2552 13.4202 13.4202 13.5092 13.5092 13.7999 13.7999 14.2317 14.2317 14.3547 14.3547 k = 0.0000 0.1341 0.2958 ( 3676 PWs) bands (ev): -32.1780 -32.1780 -32.1330 -32.1330 -13.3471 -13.3471 -13.0936 -13.0936 -12.0974 -12.0974 -11.7910 -11.7910 -11.6627 -11.6627 -11.6007 -11.6007 -7.1422 -7.1422 -6.9928 -6.9928 -6.3092 -6.3092 -5.5206 -5.5206 4.1682 4.1682 5.0765 5.0765 5.3745 5.3745 5.7349 5.7349 5.7895 5.7895 5.9757 5.9757 6.2056 6.2056 6.4055 6.4055 6.6596 6.6596 7.6083 7.6083 8.0787 8.0787 8.2552 8.2552 13.4308 13.4308 13.5428 13.5428 13.7758 13.7758 14.2290 14.2290 14.3861 14.3861 k = 0.0000 0.1463 0.2958 ( 3676 PWs) bands (ev): -32.1773 -32.1773 -32.1331 -32.1331 -13.3481 -13.3481 -13.0985 -13.0985 -12.0985 -12.0985 -11.7991 -11.7991 -11.6636 -11.6636 -11.6033 -11.6033 -7.1284 -7.1284 -6.9838 -6.9838 -6.2984 -6.2984 -5.5281 -5.5281 4.1892 4.1892 5.0381 5.0381 5.3761 5.3761 5.7250 5.7250 5.7886 5.7886 5.9584 5.9584 6.1667 6.1667 6.4484 6.4484 6.6514 6.6514 7.6476 7.6476 8.0521 8.0521 8.2543 8.2543 13.4419 13.4419 13.5762 13.5762 13.7463 13.7463 14.2259 14.2259 14.4198 14.4198 k = 0.0000 0.1585 0.2958 ( 3680 PWs) bands (ev): -32.1765 -32.1765 -32.1332 -32.1332 -13.3490 -13.3490 -13.1039 -13.1039 -12.0998 -12.0998 -11.8076 -11.8076 -11.6647 -11.6647 -11.6058 -11.6058 -7.1139 -7.1139 -6.9746 -6.9746 -6.2867 -6.2867 -5.5361 -5.5361 4.2114 4.2114 4.9990 4.9990 5.3779 5.3779 5.7067 5.7067 5.7881 5.7881 5.9405 5.9405 6.1375 6.1375 6.4924 6.4924 6.6437 6.6437 7.6846 7.6846 8.0239 8.0239 8.2523 8.2523 13.4535 13.4535 13.6083 13.6083 13.7117 13.7117 14.2236 14.2236 14.4555 14.4555 k = 0.0000 0.1707 0.2958 ( 3680 PWs) bands (ev): -32.1757 -32.1757 -32.1333 -32.1333 -13.3500 -13.3500 -13.1097 -13.1097 -12.1010 -12.1010 -11.8163 -11.8163 -11.6660 -11.6660 -11.6081 -11.6081 -7.0988 -7.0988 -6.9650 -6.9650 -6.2741 -6.2741 -5.5446 -5.5446 4.2347 4.2347 4.9596 4.9596 5.3801 5.3801 5.6786 5.6786 5.7882 5.7882 5.9222 5.9222 6.1194 6.1194 6.5367 6.5367 6.6369 6.6369 7.7194 7.7194 7.9942 7.9942 8.2490 8.2490 13.4654 13.4654 13.6372 13.6372 13.6737 13.6737 14.2226 14.2226 14.4930 14.4930 k = 0.0000 0.1829 0.2958 ( 3678 PWs) bands (ev): -32.1748 -32.1748 -32.1334 -32.1334 -13.3510 -13.3510 -13.1158 -13.1158 -12.1023 -12.1023 -11.8254 -11.8254 -11.6675 -11.6675 -11.6103 -11.6103 -7.0832 -7.0832 -6.9553 -6.9553 -6.2608 -6.2608 -5.5536 -5.5536 4.2590 4.2590 4.9201 4.9201 5.3826 5.3826 5.6417 5.6417 5.7886 5.7886 5.9033 5.9033 6.1122 6.1122 6.5797 6.5797 6.6330 6.6330 7.7518 7.7518 7.9631 7.9631 8.2442 8.2442 13.4776 13.4776 13.6278 13.6278 13.6670 13.6670 14.2232 14.2232 14.5318 14.5318 k = 0.0000 0.1951 0.2958 ( 3674 PWs) bands (ev): -32.1739 -32.1739 -32.1336 -32.1336 -13.3520 -13.3520 -13.1223 -13.1223 -12.1036 -12.1036 -11.8347 -11.8347 -11.6690 -11.6690 -11.6123 -11.6123 -7.0672 -7.0672 -6.9455 -6.9455 -6.2466 -6.2466 -5.5629 -5.5629 4.2840 4.2840 4.8806 4.8806 5.3853 5.3853 5.5979 5.5979 5.7890 5.7890 5.8841 5.8841 6.1145 6.1145 6.6088 6.6088 6.6443 6.6443 7.7815 7.7815 7.9311 7.9311 8.2377 8.2377 13.4898 13.4898 13.5844 13.5844 13.6878 13.6878 14.2256 14.2256 14.5713 14.5713 k = 0.0000 0.2073 0.2958 ( 3678 PWs) bands (ev): -32.1729 -32.1729 -32.1337 -32.1337 -13.3530 -13.3530 -13.1292 -13.1292 -12.1048 -12.1048 -11.8442 -11.8442 -11.6707 -11.6707 -11.6142 -11.6142 -7.0510 -7.0510 -6.9357 -6.9357 -6.2318 -6.2318 -5.5725 -5.5725 4.3095 4.3095 4.8413 4.8413 5.3883 5.3883 5.5495 5.5495 5.7889 5.7889 5.8646 5.8646 6.1248 6.1248 6.6116 6.6116 6.6835 6.6835 7.8081 7.8081 7.8986 7.8986 8.2293 8.2293 13.5007 13.5007 13.5406 13.5406 13.7036 13.7036 14.2295 14.2295 14.6082 14.6082 k = 0.0000 0.2195 0.2958 ( 3686 PWs) bands (ev): -32.1719 -32.1719 -32.1339 -32.1339 -13.3540 -13.3540 -13.1365 -13.1365 -12.1060 -12.1060 -11.8538 -11.8538 -11.6723 -11.6723 -11.6159 -11.6159 -7.0346 -7.0346 -6.9258 -6.9258 -6.2163 -6.2163 -5.5825 -5.5825 4.3353 4.3353 4.8025 4.8025 5.3916 5.3916 5.4984 5.4984 5.7879 5.7879 5.8453 5.8453 6.1416 6.1416 6.6095 6.6095 6.7291 6.7291 7.8285 7.8285 7.8686 7.8686 8.2187 8.2187 13.4871 13.4871 13.5214 13.5214 13.7131 13.7131 14.2346 14.2346 14.6331 14.6331 k = 0.0000 0.2317 0.2958 ( 3688 PWs) bands (ev): -32.1709 -32.1709 -32.1341 -32.1341 -13.3549 -13.3549 -13.1440 -13.1440 -12.1070 -12.1070 -11.8636 -11.8636 -11.6739 -11.6739 -11.6175 -11.6175 -7.0183 -7.0183 -6.9160 -6.9160 -6.2001 -6.2001 -5.5927 -5.5927 4.3610 4.3610 4.7643 4.7643 5.3950 5.3950 5.4464 5.4464 5.7853 5.7853 5.8266 5.8266 6.1636 6.1636 6.6080 6.6080 6.7759 6.7759 7.8194 7.8194 7.8648 7.8648 8.2060 8.2060 13.4442 13.4442 13.5323 13.5323 13.7157 13.7157 14.2407 14.2407 14.6511 14.6511 k = 0.0000 0.2439 0.2958 ( 3686 PWs) bands (ev): -32.1699 -32.1699 -32.1343 -32.1343 -13.3557 -13.3557 -13.1518 -13.1518 -12.1080 -12.1080 -11.8735 -11.8735 -11.6753 -11.6753 -11.6190 -11.6190 -7.0020 -7.0020 -6.9063 -6.9063 -6.1835 -6.1835 -5.6031 -5.6031 4.3863 4.3863 4.7269 4.7269 5.3931 5.3931 5.4004 5.4004 5.7798 5.7798 5.8097 5.8097 6.1900 6.1900 6.6077 6.6077 6.8231 6.8231 7.7868 7.7868 7.8811 7.8811 8.1909 8.1909 13.4006 13.4006 13.5458 13.5458 13.7115 13.7115 14.2477 14.2477 14.6723 14.6723 k = 0.0000 0.2561 0.2958 ( 3690 PWs) bands (ev): -32.1688 -32.1688 -32.1346 -32.1346 -13.3565 -13.3565 -13.1599 -13.1599 -12.1088 -12.1088 -11.8835 -11.8835 -11.6766 -11.6766 -11.6204 -11.6204 -6.9859 -6.9859 -6.8968 -6.8968 -6.1664 -6.1664 -5.6138 -5.6138 4.4109 4.4109 4.6904 4.6904 5.3440 5.3440 5.4033 5.4033 5.7693 5.7693 5.7967 5.7967 6.2204 6.2204 6.6091 6.6091 6.8704 6.8704 7.7509 7.7509 7.8974 7.8974 8.1733 8.1733 13.3586 13.3586 13.5599 13.5599 13.7012 13.7012 14.2551 14.2551 14.6983 14.6983 k = 0.0000 0.2683 0.2958 ( 3690 PWs) bands (ev): -32.1677 -32.1677 -32.1348 -32.1348 -13.3571 -13.3571 -13.1682 -13.1682 -12.1094 -12.1094 -11.8936 -11.8936 -11.6777 -11.6777 -11.6218 -11.6218 -6.9702 -6.9702 -6.8874 -6.8874 -6.1490 -6.1490 -5.6245 -5.6245 4.4341 4.4341 4.6551 4.6551 5.2961 5.2961 5.4077 5.4077 5.7534 5.7534 5.7878 5.7878 6.2542 6.2542 6.6124 6.6124 6.9177 6.9177 7.7141 7.7141 7.9115 7.9115 8.1531 8.1531 13.3189 13.3189 13.5746 13.5746 13.6853 13.6853 14.2630 14.2630 14.7286 14.7286 k = 0.0000 0.2805 0.2958 ( 3690 PWs) bands (ev): -32.1665 -32.1665 -32.1351 -32.1351 -13.3576 -13.3576 -13.1768 -13.1768 -12.1098 -12.1098 -11.9036 -11.9036 -11.6786 -11.6786 -11.6231 -11.6231 -6.9549 -6.9549 -6.8782 -6.8782 -6.1313 -6.1313 -5.6354 -5.6354 4.4555 4.4555 4.6210 4.6210 5.2513 5.2513 5.4124 5.4124 5.7348 5.7348 5.7803 5.7803 6.2911 6.2911 6.6177 6.6177 6.9649 6.9649 7.6766 7.6766 7.9231 7.9231 8.1303 8.1303 13.2818 13.2818 13.5899 13.5899 13.6650 13.6650 14.2711 14.2711 14.7621 14.7621 k = 0.0000 0.2927 0.2958 ( 3694 PWs) bands (ev): -32.1654 -32.1654 -32.1355 -32.1355 -13.3580 -13.3580 -13.1854 -13.1854 -12.1099 -12.1099 -11.9137 -11.9137 -11.6792 -11.6792 -11.6245 -11.6245 -6.9401 -6.9401 -6.8693 -6.8693 -6.1133 -6.1133 -5.6464 -5.6464 4.4743 4.4743 4.5883 4.5883 5.2108 5.2108 5.4174 5.4174 5.7150 5.7150 5.7727 5.7727 6.3310 6.3310 6.6250 6.6250 7.0118 7.0118 7.6387 7.6387 7.9321 7.9321 8.1048 8.1048 13.2477 13.2477 13.6057 13.6057 13.6413 13.6413 14.2796 14.2796 14.7961 14.7961 k = 0.0000 0.3049 0.2958 ( 3688 PWs) bands (ev): -32.1642 -32.1642 -32.1358 -32.1358 -13.3582 -13.3582 -13.1942 -13.1942 -12.1098 -12.1098 -11.9237 -11.9237 -11.6795 -11.6795 -11.6259 -11.6259 -6.9258 -6.9258 -6.8607 -6.8607 -6.0953 -6.0953 -5.6574 -5.6574 4.4898 4.4898 4.5573 4.5573 5.1753 5.1753 5.4228 5.4228 5.6946 5.6946 5.7645 5.7645 6.3737 6.3737 6.6343 6.6343 7.0584 7.0584 7.6006 7.6006 7.9384 7.9384 8.0765 8.0765 13.2167 13.2167 13.6126 13.6126 13.6244 13.6244 14.2884 14.2884 14.8237 14.8237 k = 0.0000 0.3171 0.2958 ( 3692 PWs) bands (ev): -32.1630 -32.1630 -32.1362 -32.1362 -13.3581 -13.3581 -13.2031 -13.2031 -12.1094 -12.1094 -11.9337 -11.9337 -11.6796 -11.6796 -11.6273 -11.6273 -6.9122 -6.9122 -6.8523 -6.8523 -6.0772 -6.0772 -5.6684 -5.6684 4.5004 4.5004 4.5289 4.5289 5.1457 5.1457 5.4286 5.4286 5.6739 5.6739 5.7554 5.7554 6.4189 6.4189 6.6457 6.6457 7.1046 7.1046 7.5623 7.5623 7.9421 7.9421 8.0456 8.0456 13.1891 13.1891 13.5851 13.5851 13.6408 13.6408 14.2975 14.2975 14.8257 14.8257 k = 0.0000 0.3293 0.2958 ( 3688 PWs) bands (ev): -32.1619 -32.1619 -32.1367 -32.1367 -13.3579 -13.3579 -13.2120 -13.2120 -12.1086 -12.1086 -11.9435 -11.9435 -11.6793 -11.6793 -11.6288 -11.6288 -6.8993 -6.8993 -6.8443 -6.8443 -6.0592 -6.0592 -5.6795 -5.6795 4.4954 4.4954 4.5134 4.5134 5.1229 5.1229 5.4347 5.4347 5.6527 5.6527 5.7454 5.7454 6.4665 6.4665 6.6591 6.6591 7.1503 7.1503 7.5239 7.5239 7.9430 7.9430 8.0120 8.0120 13.1650 13.1650 13.5552 13.5552 13.6593 13.6593 14.3070 14.3070 14.7960 14.7960 k = 0.0000 0.3415 0.2958 ( 3692 PWs) bands (ev): -32.1607 -32.1607 -32.1371 -32.1371 -13.3574 -13.3574 -13.2209 -13.2209 -12.1075 -12.1075 -11.9533 -11.9533 -11.6789 -11.6789 -11.6303 -11.6303 -6.8872 -6.8872 -6.8367 -6.8367 -6.0413 -6.0413 -5.6906 -5.6906 4.4719 4.4719 4.5133 4.5133 5.1072 5.1072 5.4412 5.4412 5.6313 5.6313 5.7346 5.7346 6.5164 6.5164 6.6744 6.6744 7.1954 7.1954 7.4855 7.4855 7.9411 7.9411 7.9760 7.9760 13.1443 13.1443 13.5244 13.5244 13.6789 13.6789 14.3170 14.3170 14.7505 14.7505 k = 0.0000 0.3537 0.2958 ( 3700 PWs) bands (ev): -32.1595 -32.1595 -32.1376 -32.1376 -13.3566 -13.3566 -13.2297 -13.2297 -12.1061 -12.1061 -11.9629 -11.9629 -11.6781 -11.6781 -11.6319 -11.6319 -6.8758 -6.8758 -6.8296 -6.8296 -6.0236 -6.0236 -5.7016 -5.7016 4.4485 4.4485 4.5101 4.5101 5.0989 5.0989 5.4480 5.4480 5.6095 5.6095 5.7231 5.7231 6.5684 6.5684 6.6917 6.6917 7.2397 7.2397 7.4471 7.4471 7.9317 7.9317 7.9423 7.9423 13.1271 13.1271 13.4931 13.4931 13.6996 13.6996 14.3276 14.3276 14.6983 14.6983 k = 0.0000 0.3659 0.2958 ( 3698 PWs) bands (ev): -32.1583 -32.1583 -32.1381 -32.1381 -13.3555 -13.3555 -13.2385 -13.2385 -12.1043 -12.1043 -11.9723 -11.9723 -11.6771 -11.6771 -11.6335 -11.6335 -6.8651 -6.8651 -6.8229 -6.8229 -6.0061 -6.0061 -5.7127 -5.7127 4.4269 4.4269 4.5025 4.5025 5.0975 5.0975 5.4553 5.4553 5.5873 5.5873 5.7110 5.7110 6.6223 6.6223 6.7107 6.7107 7.2833 7.2833 7.4089 7.4089 7.8938 7.8938 7.9319 7.9319 13.1135 13.1135 13.4618 13.4618 13.7217 13.7217 14.3387 14.3387 14.6434 14.6434 k = 0.0000 0.3780 0.2958 ( 3698 PWs) bands (ev): -32.1572 -32.1572 -32.1387 -32.1387 -13.3541 -13.3541 -13.2472 -13.2472 -12.1022 -12.1022 -11.9815 -11.9815 -11.6759 -11.6759 -11.6353 -11.6353 -6.8552 -6.8552 -6.8169 -6.8169 -5.9889 -5.9889 -5.7237 -5.7237 4.4075 4.4075 4.4912 4.4912 5.1024 5.1024 5.4629 5.4629 5.5649 5.5649 5.6983 5.6983 6.6780 6.6780 6.7315 6.7315 7.3258 7.3258 7.3710 7.3710 7.8503 7.8503 7.9224 7.9224 13.1033 13.1033 13.4306 13.4306 13.7452 13.7452 14.3505 14.3505 14.5878 14.5878 k = 0.0000 0.3902 0.2958 ( 3694 PWs) bands (ev): -32.1560 -32.1560 -32.1393 -32.1393 -13.3524 -13.3524 -13.2557 -13.2557 -12.0996 -12.0996 -11.9905 -11.9905 -11.6745 -11.6745 -11.6371 -11.6371 -6.8461 -6.8461 -6.8115 -6.8115 -5.9721 -5.9721 -5.7348 -5.7348 4.3904 4.3904 4.4769 4.4769 5.1126 5.1126 5.4708 5.4708 5.5421 5.5421 5.6853 5.6853 6.7352 6.7352 6.7539 6.7539 7.3327 7.3327 7.3678 7.3678 7.8044 7.8044 7.9108 7.9108 13.0965 13.0965 13.3999 13.3999 13.7701 13.7701 14.3624 14.3624 14.5330 14.5330 k = 0.0000 0.4024 0.2958 ( 3678 PWs) bands (ev): -32.1548 -32.1548 -32.1399 -32.1399 -13.3503 -13.3503 -13.2639 -13.2639 -12.0967 -12.0967 -11.9993 -11.9993 -11.6729 -11.6729 -11.6390 -11.6390 -6.8378 -6.8378 -6.8067 -6.8067 -5.9557 -5.9557 -5.7459 -5.7459 4.3756 4.3756 4.4607 4.4607 5.1273 5.1273 5.4788 5.4788 5.5193 5.5193 5.6720 5.6720 6.7776 6.7776 6.7939 6.7939 7.2954 7.2954 7.4078 7.4078 7.7566 7.7566 7.8969 7.8969 13.0931 13.0931 13.3698 13.3698 13.7967 13.7967 14.3732 14.3732 14.4811 14.4811 k = 0.0000 0.4146 0.2958 ( 3672 PWs) bands (ev): -32.1537 -32.1537 -32.1406 -32.1406 -13.3478 -13.3478 -13.2720 -13.2720 -12.0933 -12.0933 -12.0078 -12.0078 -11.6712 -11.6712 -11.6409 -11.6409 -6.8301 -6.8301 -6.8027 -6.8027 -5.9397 -5.9397 -5.7571 -5.7571 4.3634 4.3634 4.4436 4.4436 5.1453 5.1453 5.4835 5.4835 5.4997 5.4997 5.6585 5.6585 6.8029 6.8029 6.8537 6.8537 7.2582 7.2582 7.4458 7.4458 7.7078 7.7078 7.8807 7.8807 13.0928 13.0928 13.3405 13.3405 13.8248 13.8248 14.3751 14.3751 14.4402 14.4403 k = 0.0000 0.4268 0.2958 ( 3672 PWs) bands (ev): -32.1526 -32.1526 -32.1413 -32.1413 -13.3450 -13.3450 -13.2798 -13.2798 -12.0896 -12.0896 -12.0161 -12.0161 -11.6693 -11.6693 -11.6430 -11.6430 -6.8232 -6.8232 -6.7995 -6.7995 -5.9241 -5.9241 -5.7683 -5.7683 4.3536 4.3536 4.4264 4.4264 5.1659 5.1659 5.4675 5.4675 5.5010 5.5010 5.6449 5.6449 6.8294 6.8294 6.9144 6.9144 7.2215 7.2215 7.4802 7.4802 7.6595 7.6595 7.8623 7.8623 13.0956 13.0956 13.3121 13.3121 13.8547 13.8547 14.3478 14.3478 14.4312 14.4312 k = 0.0000 0.4390 0.2958 ( 3676 PWs) bands (ev): -32.1515 -32.1515 -32.1421 -32.1421 -13.3418 -13.3418 -13.2873 -13.2873 -12.0855 -12.0855 -12.0241 -12.0241 -11.6673 -11.6673 -11.6451 -11.6451 -6.8171 -6.8171 -6.7970 -6.7970 -5.9090 -5.9090 -5.7797 -5.7797 4.3464 4.3464 4.4096 4.4096 5.1885 5.1885 5.4437 5.4437 5.5100 5.5100 5.6313 5.6313 6.8572 6.8572 6.9759 6.9759 7.1851 7.1851 7.5044 7.5044 7.6184 7.6184 7.8419 7.8419 13.1014 13.1014 13.2847 13.2847 13.8864 13.8864 14.3024 14.3024 14.4429 14.4429 k = 0.0000 0.4512 0.2958 ( 3676 PWs) bands (ev): -32.1504 -32.1504 -32.1429 -32.1429 -13.3382 -13.3382 -13.2944 -13.2944 -12.0810 -12.0810 -12.0317 -12.0317 -11.6652 -11.6652 -11.6473 -11.6473 -6.8116 -6.8116 -6.7954 -6.7954 -5.8943 -5.8943 -5.7913 -5.7913 4.3418 4.3418 4.3940 4.3940 5.2126 5.2126 5.4188 5.4188 5.5201 5.5201 5.6178 5.6178 6.8861 6.8861 7.0377 7.0377 7.1494 7.1494 7.4980 7.4980 7.6051 7.6051 7.8195 7.8195 13.1099 13.1099 13.2585 13.2585 13.9199 13.9199 14.2543 14.2543 14.4605 14.4605 k = 0.0000 0.4634 0.2958 ( 3668 PWs) bands (ev): -32.1494 -32.1494 -32.1437 -32.1437 -13.3341 -13.3341 -13.3013 -13.3013 -12.0761 -12.0761 -12.0391 -12.0391 -11.6630 -11.6630 -11.6495 -11.6495 -6.8069 -6.8069 -6.7946 -6.7946 -5.8801 -5.8801 -5.8030 -5.8030 4.3398 4.3398 4.3798 4.3798 5.2376 5.2376 5.3934 5.3934 5.5309 5.5309 5.6044 5.6044 6.9160 6.9160 7.0977 7.0977 7.1163 7.1163 7.4570 7.4570 7.6236 7.6236 7.7952 7.7952 13.1211 13.1211 13.2337 13.2337 13.9552 13.9552 14.2067 14.2067 14.4807 14.4807 k = 0.0000 0.4756 0.2958 ( 3668 PWs) bands (ev): -32.1484 -32.1484 -32.1446 -32.1446 -13.3296 -13.3296 -13.3077 -13.3077 -12.0709 -12.0709 -12.0462 -12.0462 -11.6608 -11.6608 -11.6517 -11.6517 -6.8029 -6.8029 -6.7947 -6.7947 -5.8663 -5.8663 -5.8150 -5.8150 4.3404 4.3404 4.3675 4.3675 5.2632 5.2632 5.3676 5.3676 5.5422 5.5422 5.5913 5.5913 6.9469 6.9469 7.0785 7.0785 7.1630 7.1630 7.4034 7.4034 7.6522 7.6522 7.7691 7.7691 13.1347 13.1347 13.2103 13.2103 13.9925 13.9925 14.1604 14.1604 14.5027 14.5027 k = 0.0000 0.4878 0.2958 ( 3672 PWs) bands (ev): -32.1474 -32.1474 -32.1455 -32.1455 -13.3248 -13.3248 -13.3138 -13.3138 -12.0652 -12.0652 -12.0529 -12.0529 -11.6586 -11.6586 -11.6540 -11.6540 -6.7997 -6.7997 -6.7955 -6.7955 -5.8529 -5.8529 -5.8273 -5.8273 4.3436 4.3436 4.3572 4.3572 5.2892 5.2892 5.3416 5.3416 5.5539 5.5539 5.5785 5.5785 6.9787 6.9787 7.0446 7.0446 7.2245 7.2245 7.3456 7.3456 7.6825 7.6825 7.7415 7.7415 13.1506 13.1506 13.1886 13.1886 14.0317 14.0317 14.1157 14.1157 14.5264 14.5264 k = 0.0000 0.5000 0.2958 ( 3672 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3195 -13.3195 -13.3195 -13.3195 -12.0592 -12.0592 -12.0592 -12.0592 -11.6563 -11.6563 -11.6563 -11.6563 -6.7972 -6.7972 -6.7972 -6.7972 -5.8399 -5.8399 -5.8399 -5.8399 4.3492 4.3492 4.3492 4.3492 5.3154 5.3154 5.3154 5.3154 5.5660 5.5660 5.5660 5.5660 7.0113 7.0113 7.0113 7.0113 7.2856 7.2856 7.2856 7.2856 7.7125 7.7125 7.7125 7.7125 13.1686 13.1686 13.1686 13.1686 14.0727 14.0727 14.0727 14.0727 14.5516 14.5516 k = 0.0000 0.5000 0.2958 ( 3672 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3195 -13.3195 -13.3195 -13.3195 -12.0592 -12.0592 -12.0592 -12.0592 -11.6563 -11.6563 -11.6563 -11.6563 -6.7972 -6.7972 -6.7972 -6.7972 -5.8399 -5.8399 -5.8399 -5.8399 4.3492 4.3492 4.3492 4.3492 5.3154 5.3154 5.3154 5.3154 5.5660 5.5660 5.5660 5.5660 7.0113 7.0113 7.0113 7.0113 7.2856 7.2856 7.2856 7.2856 7.7125 7.7125 7.7125 7.7125 13.1686 13.1686 13.1686 13.1686 14.0727 14.0727 14.0727 14.0727 14.5516 14.5516 k = 0.0122 0.5000 0.2958 ( 3672 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3229 -13.3229 -13.3162 -13.3162 -12.0663 -12.0663 -12.0524 -12.0524 -11.6587 -11.6587 -11.6543 -11.6543 -6.7988 -6.7988 -6.7946 -6.7946 -5.8400 -5.8400 -5.8399 -5.8399 4.3464 4.3464 4.3484 4.3484 5.3145 5.3145 5.3166 5.3166 5.5659 5.5659 5.5699 5.5699 7.0082 7.0082 7.0111 7.0111 7.2857 7.2857 7.2880 7.2880 7.7109 7.7109 7.7130 7.7130 13.1707 13.1707 13.1717 13.1717 14.0732 14.0732 14.0757 14.0757 14.5512 14.5512 k = 0.0244 0.5000 0.2958 ( 3680 PWs) bands (ev): -32.1463 -32.1463 -32.1463 -32.1463 -13.3263 -13.3263 -13.3131 -13.3131 -12.0735 -12.0735 -12.0457 -12.0457 -11.6617 -11.6617 -11.6528 -11.6528 -6.7994 -6.7994 -6.7910 -6.7910 -5.8400 -5.8400 -5.8398 -5.8398 4.3400 4.3400 4.3440 4.3440 5.3138 5.3138 5.3181 5.3181 5.5695 5.5695 5.5774 5.5774 7.0019 7.0019 7.0077 7.0077 7.2882 7.2882 7.2926 7.2926 7.7083 7.7083 7.7125 7.7125 13.1778 13.1778 13.1798 13.1798 14.0769 14.0769 14.0820 14.0820 14.5516 14.5516 k = 0.0366 0.5000 0.2958 ( 3672 PWs) bands (ev): -32.1463 -32.1463 -32.1463 -32.1463 -13.3298 -13.3298 -13.3101 -13.3101 -12.0808 -12.0808 -12.0393 -12.0393 -11.6651 -11.6651 -11.6518 -11.6518 -6.7991 -6.7991 -6.7865 -6.7865 -5.8400 -5.8400 -5.8398 -5.8398 4.3302 4.3302 4.3362 4.3362 5.3133 5.3133 5.3198 5.3198 5.5767 5.5767 5.5883 5.5883 6.9928 6.9928 7.0011 7.0011 7.2930 7.2930 7.2993 7.2993 7.7047 7.7047 7.7109 7.7109 13.1900 13.1900 13.1930 13.1930 14.0838 14.0838 14.0916 14.0916 14.5529 14.5529 k = 0.0488 0.5000 0.2958 ( 3672 PWs) bands (ev): -32.1461 -32.1461 -32.1461 -32.1461 -13.3334 -13.3334 -13.3073 -13.3073 -12.0883 -12.0883 -12.0332 -12.0332 -11.6691 -11.6691 -11.6512 -11.6512 -6.7977 -6.7977 -6.7811 -6.7811 -5.8399 -5.8399 -5.8397 -5.8397 4.3175 4.3175 4.3251 4.3251 5.3129 5.3129 5.3216 5.3216 5.5871 5.5871 5.6023 5.6023 6.9812 6.9812 6.9917 6.9917 7.3000 7.3000 7.3078 7.3078 7.7001 7.7001 7.7083 7.7083 13.2071 13.2071 13.2111 13.2111 14.0939 14.0939 14.1044 14.1044 14.5550 14.5550 k = 0.0610 0.5000 0.2958 ( 3668 PWs) bands (ev): -32.1460 -32.1460 -32.1460 -32.1460 -13.3370 -13.3370 -13.3046 -13.3046 -12.0959 -12.0959 -12.0272 -12.0272 -11.6735 -11.6735 -11.6510 -11.6510 -6.7953 -6.7953 -6.7748 -6.7748 -5.8399 -5.8399 -5.8396 -5.8396 4.3020 4.3020 4.3113 4.3113 5.3124 5.3124 5.3234 5.3234 5.6005 5.6005 5.6189 5.6189 6.9676 6.9676 6.9799 6.9799 7.3089 7.3089 7.3179 7.3179 7.6948 7.6948 7.7049 7.7049 13.2289 13.2289 13.2339 13.2339 14.1069 14.1069 14.1202 14.1202 14.5580 14.5580 k = 0.0732 0.5000 0.2958 ( 3672 PWs) bands (ev): -32.1458 -32.1458 -32.1458 -32.1458 -13.3406 -13.3406 -13.3021 -13.3021 -12.1036 -12.1036 -12.0216 -12.0216 -11.6784 -11.6784 -11.6512 -11.6512 -6.7920 -6.7920 -6.7677 -6.7677 -5.8399 -5.8399 -5.8395 -5.8395 4.2844 4.2844 4.2950 4.2950 5.3118 5.3118 5.3250 5.3250 5.6165 5.6165 5.6377 5.6377 6.9524 6.9524 6.9662 6.9662 7.3194 7.3194 7.3293 7.3293 7.6888 7.6888 7.7007 7.7007 13.2551 13.2551 13.2612 13.2612 14.1225 14.1225 14.1389 14.1389 14.5619 14.5619 k = 0.0854 0.5000 0.2958 ( 3676 PWs) bands (ev): -32.1456 -32.1456 -32.1456 -32.1456 -13.3443 -13.3443 -13.2999 -13.2999 -12.1114 -12.1114 -12.0162 -12.0162 -11.6837 -11.6837 -11.6518 -11.6518 -6.7877 -6.7877 -6.7598 -6.7598 -5.8398 -5.8398 -5.8394 -5.8394 4.2650 4.2650 4.2768 4.2768 5.3108 5.3108 5.3263 5.3263 5.6344 5.6344 5.6582 5.6582 6.9361 6.9361 6.9511 6.9511 7.3313 7.3313 7.3418 7.3418 7.6822 7.6822 7.6959 7.6959 13.2855 13.2855 13.2927 13.2927 14.1405 14.1405 14.1601 14.1601 14.5667 14.5667 k = 0.0976 0.5000 0.2958 ( 3676 PWs) bands (ev): -32.1454 -32.1454 -32.1454 -32.1454 -13.3479 -13.3479 -13.2979 -13.2979 -12.1191 -12.1191 -12.0112 -12.0112 -11.6895 -11.6895 -11.6527 -11.6527 -6.7826 -6.7826 -6.7512 -6.7512 -5.8397 -5.8397 -5.8393 -5.8393 4.2442 4.2442 4.2571 4.2571 5.3091 5.3091 5.3270 5.3270 5.6540 5.6540 5.6800 5.6800 6.9192 6.9192 6.9349 6.9349 7.3444 7.3444 7.3552 7.3552 7.6754 7.6754 7.6907 7.6907 13.3198 13.3198 13.3281 13.3281 14.1606 14.1606 14.1837 14.1837 14.5726 14.5726 k = 0.1098 0.5000 0.2958 ( 3688 PWs) bands (ev): -32.1452 -32.1452 -32.1452 -32.1452 -13.3516 -13.3516 -13.2961 -13.2961 -12.1269 -12.1269 -12.0064 -12.0064 -11.6956 -11.6956 -11.6539 -11.6539 -6.7766 -6.7766 -6.7420 -6.7420 -5.8397 -5.8397 -5.8391 -5.8391 4.2224 4.2224 4.2363 4.2363 5.3066 5.3066 5.3269 5.3269 5.6747 5.6747 5.7025 5.7025 6.9021 6.9021 6.9183 6.9183 7.3584 7.3584 7.3691 7.3691 7.6686 7.6686 7.6855 7.6855 13.3575 13.3575 13.3670 13.3670 14.1825 14.1825 14.2092 14.2092 14.5796 14.5796 k = 0.1220 0.5000 0.2958 ( 3684 PWs) bands (ev): -32.1449 -32.1449 -32.1449 -32.1449 -13.3552 -13.3552 -13.2946 -13.2946 -12.1345 -12.1345 -12.0021 -12.0021 -11.7020 -11.7020 -11.6553 -11.6553 -6.7697 -6.7697 -6.7322 -6.7322 -5.8396 -5.8396 -5.8390 -5.8390 4.2002 4.2002 4.2148 4.2148 5.3028 5.3028 5.3256 5.3256 5.6963 5.6963 5.7254 5.7254 6.8852 6.8852 6.9017 6.9017 7.3729 7.3729 7.3832 7.3832 7.6621 7.6621 7.6806 7.6806 13.3984 13.3984 13.4090 13.4090 14.2058 14.2058 14.2364 14.2364 14.5878 14.5878 k = 0.1341 0.5000 0.2958 ( 3684 PWs) bands (ev): -32.1446 -32.1446 -32.1446 -32.1446 -13.3588 -13.3588 -13.2934 -13.2934 -12.1421 -12.1421 -11.9981 -11.9981 -11.7086 -11.7086 -11.6570 -11.6570 -6.7622 -6.7622 -6.7219 -6.7219 -5.8395 -5.8395 -5.8388 -5.8388 4.1778 4.1778 4.1931 4.1931 5.2977 5.2977 5.3229 5.3229 5.7182 5.7182 5.7483 5.7483 6.8691 6.8691 6.8855 6.8855 7.3875 7.3875 7.3971 7.3971 7.6564 7.6564 7.6764 7.6764 13.4418 13.4418 13.4537 13.4537 14.2303 14.2303 14.2649 14.2649 14.5972 14.5972 k = 0.1463 0.5000 0.2958 ( 3684 PWs) bands (ev): -32.1443 -32.1443 -32.1443 -32.1443 -13.3623 -13.3623 -13.2925 -13.2925 -12.1495 -12.1495 -11.9945 -11.9945 -11.7155 -11.7155 -11.6589 -11.6589 -6.7539 -6.7539 -6.7112 -6.7112 -5.8394 -5.8394 -5.8387 -5.8387 4.1556 4.1556 4.1715 4.1715 5.2907 5.2907 5.3184 5.3184 5.7402 5.7402 5.7710 5.7710 6.8542 6.8542 6.8703 6.8703 7.4017 7.4017 7.4103 7.4103 7.6520 7.6520 7.6735 7.6735 13.4874 13.4874 13.5007 13.5007 14.2556 14.2556 14.2943 14.2943 14.6081 14.6081 k = 0.1585 0.5000 0.2958 ( 3692 PWs) bands (ev): -32.1440 -32.1440 -32.1440 -32.1440 -13.3658 -13.3658 -13.2919 -13.2919 -12.1567 -12.1567 -11.9914 -11.9914 -11.7224 -11.7224 -11.6610 -11.6610 -6.7450 -6.7450 -6.7001 -6.7001 -5.8393 -5.8393 -5.8385 -5.8385 4.1338 4.1338 4.1503 4.1503 5.2817 5.2817 5.3118 5.3118 5.7621 5.7621 5.7932 5.7932 6.8407 6.8407 6.8564 6.8564 7.4149 7.4149 7.4222 7.4222 7.6495 7.6495 7.6725 7.6725 13.5346 13.5346 13.5493 13.5493 14.2814 14.2814 14.3243 14.3243 14.6204 14.6204 k = 0.1707 0.5000 0.2958 ( 3692 PWs) bands (ev): -32.1436 -32.1436 -32.1436 -32.1436 -13.3692 -13.3692 -13.2917 -13.2917 -12.1636 -12.1636 -11.9888 -11.9888 -11.7294 -11.7294 -11.6633 -11.6633 -6.7355 -6.7355 -6.6887 -6.6887 -5.8391 -5.8391 -5.8384 -5.8384 4.1128 4.1128 4.1298 4.1298 5.2702 5.2702 5.3028 5.3028 5.7836 5.7836 5.8148 5.8148 6.8292 6.8292 6.8442 6.8442 7.4264 7.4264 7.4322 7.4322 7.6498 7.6498 7.6742 7.6742 13.5829 13.5829 13.5992 13.5992 14.3077 14.3077 14.3546 14.3546 14.6343 14.6343 k = 0.1829 0.5000 0.2958 ( 3692 PWs) bands (ev): -32.1432 -32.1432 -32.1432 -32.1432 -13.3724 -13.3724 -13.2918 -13.2918 -12.1703 -12.1703 -11.9868 -11.9868 -11.7363 -11.7363 -11.6657 -11.6657 -6.7256 -6.7256 -6.6771 -6.6771 -5.8390 -5.8390 -5.8382 -5.8382 4.0928 4.0928 4.1103 4.1103 5.2562 5.2562 5.2911 5.2911 5.8047 5.8047 5.8356 5.8356 6.8199 6.8199 6.8340 6.8340 7.4355 7.4355 7.4396 7.4396 7.6535 7.6535 7.6789 7.6789 13.6317 13.6317 13.6496 13.6496 14.3342 14.3342 14.3849 14.3849 14.6497 14.6497 k = 0.1951 0.5000 0.2958 ( 3684 PWs) bands (ev): -32.1429 -32.1429 -32.1429 -32.1429 -13.3756 -13.3756 -13.2923 -13.2923 -12.1766 -12.1766 -11.9854 -11.9854 -11.7430 -11.7430 -11.6682 -11.6682 -6.7152 -6.7152 -6.6654 -6.6654 -5.8389 -5.8389 -5.8380 -5.8380 4.0740 4.0740 4.0920 4.0920 5.2394 5.2394 5.2765 5.2765 5.8252 5.8252 5.8557 5.8557 6.8129 6.8129 6.8260 6.8260 7.4417 7.4417 7.4443 7.4443 7.6610 7.6610 7.6871 7.6871 13.6803 13.6803 13.7001 13.7001 14.3610 14.3610 14.4150 14.4150 14.6667 14.6667 k = 0.2073 0.5000 0.2958 ( 3684 PWs) bands (ev): -32.1425 -32.1425 -32.1425 -32.1425 -13.3787 -13.3787 -13.2932 -13.2932 -12.1825 -12.1825 -11.9847 -11.9847 -11.7494 -11.7494 -11.6708 -11.6708 -6.7044 -6.7044 -6.6536 -6.6536 -5.8388 -5.8388 -5.8379 -5.8379 4.0566 4.0566 4.0751 4.0751 5.2197 5.2197 5.2588 5.2588 5.8450 5.8450 5.8750 5.8750 6.8086 6.8086 6.8205 6.8205 7.4449 7.4449 7.4462 7.4462 7.6723 7.6723 7.6987 7.6987 13.7282 13.7282 13.7500 13.7500 14.3881 14.3881 14.4448 14.4448 14.6851 14.6851 k = 0.2195 0.5000 0.2958 ( 3680 PWs) bands (ev): -32.1421 -32.1421 -32.1421 -32.1421 -13.3816 -13.3816 -13.2944 -13.2944 -12.1880 -12.1880 -11.9847 -11.9847 -11.7554 -11.7554 -11.6735 -11.6735 -6.6933 -6.6933 -6.6419 -6.6419 -5.8387 -5.8387 -5.8377 -5.8377 4.0407 4.0407 4.0597 4.0597 5.1969 5.1969 5.2380 5.2380 5.8642 5.8642 5.8935 5.8935 6.8068 6.8068 6.8173 6.8173 7.4455 7.4455 7.4456 7.4456 7.6872 7.6872 7.7133 7.7133 13.7749 13.7749 13.7989 13.7989 14.4154 14.4154 14.4740 14.4740 14.7048 14.7048 k = 0.2317 0.5000 0.2958 ( 3684 PWs) bands (ev): -32.1417 -32.1417 -32.1417 -32.1417 -13.3844 -13.3844 -13.2960 -13.2960 -12.1929 -12.1929 -11.9855 -11.9855 -11.7610 -11.7610 -11.6763 -11.6763 -6.6821 -6.6821 -6.6303 -6.6303 -5.8385 -5.8385 -5.8375 -5.8375 4.0265 4.0265 4.0460 4.0460 5.1712 5.1712 5.2139 5.2139 5.8827 5.8827 5.9112 5.9112 6.8077 6.8077 6.8167 6.8167 7.4430 7.4430 7.4440 7.4440 7.7049 7.7049 7.7304 7.7304 13.8198 13.8198 13.8461 13.8461 14.4429 14.4429 14.5026 14.5026 14.7255 14.7255 k = 0.2439 0.5000 0.2958 ( 3688 PWs) bands (ev): -32.1413 -32.1413 -32.1413 -32.1413 -13.3870 -13.3870 -13.2980 -13.2980 -12.1974 -12.1974 -11.9872 -11.9872 -11.7660 -11.7660 -11.6791 -11.6791 -6.6707 -6.6707 -6.6188 -6.6188 -5.8384 -5.8384 -5.8374 -5.8374 4.0141 4.0141 4.0342 4.0342 5.1427 5.1427 5.1868 5.1868 5.9004 5.9004 5.9281 5.9281 6.8111 6.8111 6.8185 6.8185 7.4390 7.4390 7.4411 7.4411 7.7247 7.7247 7.7494 7.7494 13.8625 13.8625 13.8912 13.8912 14.4705 14.4705 14.5304 14.5304 14.7469 14.7469 k = 0.2561 0.5000 0.2958 ( 3688 PWs) bands (ev): -32.1408 -32.1408 -32.1408 -32.1408 -13.3895 -13.3895 -13.3003 -13.3003 -12.2013 -12.2013 -11.9897 -11.9897 -11.7703 -11.7703 -11.6820 -11.6820 -6.6592 -6.6592 -6.6075 -6.6075 -5.8383 -5.8383 -5.8372 -5.8372 4.0036 4.0036 4.0243 4.0243 5.1114 5.1114 5.1566 5.1566 5.9173 5.9173 5.9442 5.9442 6.8169 6.8169 6.8226 6.8226 7.4342 7.4342 7.4374 7.4374 7.7458 7.7458 7.7696 7.7696 13.9027 13.9027 13.9339 13.9339 14.4979 14.4979 14.5572 14.5572 14.7687 14.7687 k = 0.2683 0.5000 0.2958 ( 3696 PWs) bands (ev): -32.1404 -32.1404 -32.1404 -32.1404 -13.3918 -13.3918 -13.3030 -13.3030 -12.2046 -12.2046 -11.9932 -11.9932 -11.7739 -11.7739 -11.6850 -11.6850 -6.6477 -6.6477 -6.5966 -6.5966 -5.8382 -5.8382 -5.8371 -5.8371 3.9952 3.9952 4.0164 4.0164 5.0776 5.0776 5.1238 5.1238 5.9335 5.9335 5.9594 5.9594 6.8249 6.8249 6.8288 6.8288 7.4290 7.4290 7.4334 7.4334 7.7678 7.7678 7.7904 7.7904 13.9402 13.9402 13.9740 13.9740 14.5249 14.5249 14.5825 14.5825 14.7902 14.7902 k = 0.2805 0.5000 0.2958 ( 3696 PWs) bands (ev): -32.1400 -32.1400 -32.1400 -32.1400 -13.3938 -13.3938 -13.3060 -13.3060 -12.2073 -12.2073 -11.9975 -11.9975 -11.7768 -11.7768 -11.6880 -11.6880 -6.6362 -6.6362 -6.5860 -6.5860 -5.8381 -5.8381 -5.8370 -5.8370 3.9887 3.9887 4.0106 4.0106 5.0416 5.0416 5.0885 5.0885 5.9488 5.9488 5.9738 5.9738 6.8348 6.8348 6.8368 6.8368 7.4238 7.4238 7.4295 7.4295 7.7899 7.7899 7.8115 7.8115 13.9751 13.9751 14.0114 14.0114 14.5508 14.5508 14.6061 14.6061 14.8108 14.8108 k = 0.2927 0.5000 0.2958 ( 3700 PWs) bands (ev): -32.1396 -32.1396 -32.1396 -32.1396 -13.3956 -13.3956 -13.3094 -13.3094 -12.2093 -12.2093 -12.0027 -12.0027 -11.7790 -11.7790 -11.6910 -11.6910 -6.6249 -6.6249 -6.5758 -6.5758 -5.8380 -5.8380 -5.8368 -5.8368 3.9845 3.9845 4.0070 4.0070 5.0036 5.0036 5.0510 5.0510 5.9632 5.9632 5.9873 5.9873 6.8465 6.8465 6.8466 6.8466 7.4190 7.4190 7.4260 7.4260 7.8119 7.8119 7.8323 7.8323 14.0075 14.0075 14.0461 14.0461 14.5750 14.5750 14.6275 14.6275 14.8292 14.8292 k = 0.3049 0.5000 0.2958 ( 3704 PWs) bands (ev): -32.1392 -32.1392 -32.1392 -32.1392 -13.3972 -13.3972 -13.3130 -13.3130 -12.2107 -12.2107 -12.0087 -12.0087 -11.7804 -11.7804 -11.6941 -11.6941 -6.6138 -6.6138 -6.5660 -6.5660 -5.8378 -5.8378 -5.8367 -5.8367 3.9823 3.9823 4.0056 4.0056 4.9640 4.9640 5.0116 5.0116 5.9768 5.9768 5.9999 5.9999 6.8576 6.8576 6.8594 6.8594 7.4148 7.4148 7.4232 7.4232 7.8333 7.8333 7.8525 7.8525 14.0377 14.0377 14.0784 14.0784 14.5971 14.5971 14.6463 14.6463 14.8443 14.8443 k = 0.3171 0.5000 0.2958 ( 3708 PWs) bands (ev): -32.1389 -32.1389 -32.1389 -32.1389 -13.3986 -13.3986 -13.3169 -13.3169 -12.2113 -12.2113 -12.0154 -12.0154 -11.7812 -11.7812 -11.6972 -11.6972 -6.6029 -6.6029 -6.5568 -6.5568 -5.8377 -5.8377 -5.8366 -5.8366 3.9824 3.9824 4.0063 4.0063 4.9230 4.9230 4.9707 4.9707 5.9894 5.9894 6.0115 6.0115 6.8698 6.8698 6.8734 6.8734 7.4115 7.4115 7.4213 7.4213 7.8537 7.8537 7.8719 7.8719 14.0660 14.0660 14.1085 14.1085 14.6163 14.6163 14.6624 14.6624 14.8546 14.8546 k = 0.3293 0.5000 0.2958 ( 3712 PWs) bands (ev): -32.1385 -32.1385 -32.1385 -32.1385 -13.3997 -13.3997 -13.3210 -13.3210 -12.2114 -12.2114 -12.0227 -12.0227 -11.7813 -11.7813 -11.7004 -11.7004 -6.5924 -6.5924 -6.5481 -6.5481 -5.8376 -5.8376 -5.8365 -5.8365 3.9847 3.9847 4.0093 4.0093 4.8809 4.8809 4.9285 4.9285 6.0011 6.0011 6.0221 6.0221 6.8826 6.8826 6.8880 6.8880 7.4092 7.4092 7.4205 7.4205 7.8730 7.8730 7.8901 7.8901 14.0929 14.0929 14.1369 14.1369 14.6324 14.6324 14.6755 14.6755 14.8590 14.8590 k = 0.3415 0.5000 0.2958 ( 3720 PWs) bands (ev): -32.1381 -32.1381 -32.1381 -32.1381 -13.4005 -13.4005 -13.3253 -13.3253 -12.2107 -12.2107 -12.0307 -12.0307 -11.7809 -11.7809 -11.7036 -11.7036 -6.5822 -6.5822 -6.5400 -6.5400 -5.8375 -5.8375 -5.8365 -5.8365 3.9892 3.9892 4.0146 4.0146 4.8382 4.8382 4.8855 4.8855 6.0119 6.0119 6.0317 6.0317 6.8960 6.8960 6.9029 6.9029 7.4082 7.4082 7.4207 7.4207 7.8910 7.8910 7.9069 7.9069 14.1187 14.1187 14.1638 14.1638 14.6452 14.6452 14.6859 14.6859 14.8573 14.8573 k = 0.3537 0.5000 0.2958 ( 3712 PWs) bands (ev): -32.1378 -32.1378 -32.1378 -32.1378 -13.4010 -13.4010 -13.3298 -13.3298 -12.2094 -12.2094 -12.0390 -12.0390 -11.7799 -11.7799 -11.7068 -11.7068 -6.5723 -6.5723 -6.5326 -6.5326 -5.8374 -5.8374 -5.8364 -5.8364 3.9959 3.9959 4.0219 4.0219 4.7951 4.7951 4.8420 4.8420 6.0218 6.0218 6.0404 6.0404 6.9094 6.9094 6.9178 6.9178 7.4085 7.4085 7.4220 7.4220 7.9074 7.9074 7.9222 7.9222 14.1438 14.1438 14.1897 14.1897 14.6546 14.6546 14.6935 14.6935 14.8501 14.8501 k = 0.3659 0.5000 0.2958 ( 3712 PWs) bands (ev): -32.1375 -32.1375 -32.1375 -32.1375 -13.4012 -13.4012 -13.3344 -13.3344 -12.2074 -12.2074 -12.0477 -12.0477 -11.7785 -11.7785 -11.7100 -11.7100 -6.5630 -6.5630 -6.5258 -6.5258 -5.8373 -5.8373 -5.8363 -5.8363 4.0047 4.0047 4.0315 4.0315 4.7518 4.7518 4.7981 4.7981 6.0307 6.0307 6.0480 6.0480 6.9227 6.9227 6.9322 6.9322 7.4101 7.4101 7.4245 7.4245 7.9222 7.9222 7.9360 7.9360 14.1687 14.1687 14.2149 14.2149 14.6606 14.6606 14.6983 14.6983 14.8381 14.8381 k = 0.3780 0.5000 0.2958 ( 3716 PWs) bands (ev): -32.1372 -32.1372 -32.1372 -32.1372 -13.4011 -13.4011 -13.3391 -13.3391 -12.2047 -12.2047 -12.0568 -12.0568 -11.7767 -11.7767 -11.7133 -11.7133 -6.5541 -6.5541 -6.5197 -6.5197 -5.8372 -5.8372 -5.8363 -5.8363 4.0157 4.0157 4.0430 4.0430 4.7089 4.7089 4.7543 4.7543 6.0387 6.0387 6.0547 6.0547 6.9355 6.9355 6.9458 6.9458 7.4130 7.4130 7.4280 7.4280 7.9353 7.9353 7.9480 7.9480 14.1936 14.1936 14.2398 14.2398 14.6632 14.6632 14.7001 14.7001 14.8230 14.8230 k = 0.3902 0.5000 0.2958 ( 3720 PWs) bands (ev): -32.1369 -32.1369 -32.1369 -32.1369 -13.4007 -13.4007 -13.3438 -13.3438 -12.2014 -12.2014 -12.0660 -12.0660 -11.7746 -11.7746 -11.7166 -11.7166 -6.5458 -6.5458 -6.5143 -6.5143 -5.8371 -5.8371 -5.8363 -5.8363 4.0286 4.0286 4.0565 4.0565 4.6664 4.6664 4.7109 4.7109 6.0459 6.0459 6.0605 6.0605 6.9477 6.9477 6.9584 6.9584 7.4172 7.4172 7.4324 7.4324 7.9467 7.9467 7.9584 7.9584 14.2189 14.2189 14.2647 14.2647 14.6624 14.6624 14.6984 14.6984 14.8063 14.8063 k = 0.4024 0.5000 0.2958 ( 3724 PWs) bands (ev): -32.1367 -32.1367 -32.1367 -32.1367 -13.4000 -13.4000 -13.3486 -13.3486 -12.1975 -12.1975 -12.0753 -12.0753 -11.7722 -11.7722 -11.7199 -11.7199 -6.5380 -6.5380 -6.5096 -6.5096 -5.8371 -5.8371 -5.8362 -5.8362 4.0435 4.0435 4.0718 4.0718 4.6249 4.6249 4.6682 4.6682 6.0523 6.0523 6.0654 6.0654 6.9590 6.9590 6.9698 6.9698 7.4225 7.4225 7.4374 7.4374 7.9565 7.9565 7.9671 7.9671 14.2448 14.2448 14.2898 14.2898 14.6583 14.6583 14.6923 14.6923 14.7902 14.7902 k = 0.4146 0.5000 0.2958 ( 3728 PWs) bands (ev): -32.1364 -32.1364 -32.1364 -32.1364 -13.3989 -13.3989 -13.3533 -13.3533 -12.1930 -12.1930 -12.0847 -12.0847 -11.7695 -11.7695 -11.7233 -11.7233 -6.5308 -6.5308 -6.5057 -6.5057 -5.8370 -5.8370 -5.8362 -5.8362 4.0601 4.0601 4.0886 4.0886 4.5847 4.5847 4.6265 4.6265 6.0579 6.0579 6.0695 6.0695 6.9693 6.9693 6.9797 6.9797 7.4285 7.4285 7.4428 7.4428 7.9648 7.9648 7.9742 7.9742 14.2714 14.2714 14.3153 14.3153 14.6506 14.6506 14.6803 14.6803 14.7767 14.7767 k = 0.4268 0.5000 0.2958 ( 3736 PWs) bands (ev): -32.1363 -32.1363 -32.1362 -32.1362 -13.3975 -13.3975 -13.3579 -13.3579 -12.1879 -12.1879 -12.0941 -12.0941 -11.7667 -11.7667 -11.7267 -11.7267 -6.5243 -6.5243 -6.5025 -6.5025 -5.8369 -5.8369 -5.8363 -5.8363 4.0782 4.0782 4.1066 4.1066 4.5463 4.5463 4.5862 4.5862 6.0628 6.0628 6.0728 6.0728 6.9785 6.9785 6.9882 6.9882 7.4351 7.4351 7.4483 7.4483 7.9715 7.9715 7.9798 7.9798 14.2989 14.2989 14.3412 14.3412 14.6393 14.6393 14.6620 14.6620 14.7673 14.7673 k = 0.4390 0.5000 0.2958 ( 3732 PWs) bands (ev): -32.1361 -32.1361 -32.1361 -32.1361 -13.3958 -13.3958 -13.3625 -13.3625 -12.1823 -12.1823 -12.1034 -12.1034 -11.7637 -11.7637 -11.7301 -11.7301 -6.5184 -6.5184 -6.5001 -6.5001 -5.8368 -5.8368 -5.8363 -5.8363 4.0974 4.0974 4.1252 4.1252 4.5103 4.5103 4.5477 4.5477 6.0670 6.0670 6.0754 6.0754 6.9865 6.9865 6.9951 6.9951 7.4419 7.4419 7.4536 7.4536 7.9770 7.9770 7.9840 7.9840 14.3273 14.3273 14.3677 14.3677 14.6243 14.6243 14.6383 14.6383 14.7616 14.7616 k = 0.4512 0.5000 0.2958 ( 3728 PWs) bands (ev): -32.1359 -32.1359 -32.1359 -32.1359 -13.3938 -13.3938 -13.3669 -13.3669 -12.1761 -12.1761 -12.1125 -12.1125 -11.7606 -11.7606 -11.7335 -11.7335 -6.5132 -6.5132 -6.4985 -6.4985 -5.8367 -5.8367 -5.8363 -5.8363 4.1174 4.1174 4.1435 4.1435 4.4779 4.4779 4.5118 4.5118 6.0705 6.0705 6.0773 6.0773 6.9932 6.9932 7.0005 7.0005 7.4483 7.4483 7.4582 7.4582 7.9813 7.9813 7.9870 7.9870 14.3567 14.3567 14.3946 14.3946 14.6059 14.6059 14.6108 14.6108 14.7588 14.7588 k = 0.4634 0.5000 0.2958 ( 3724 PWs) bands (ev): -32.1358 -32.1358 -32.1358 -32.1358 -13.3914 -13.3914 -13.3711 -13.3711 -12.1695 -12.1695 -12.1216 -12.1216 -11.7574 -11.7574 -11.7370 -11.7370 -6.5088 -6.5088 -6.4976 -6.4976 -5.8367 -5.8367 -5.8363 -5.8363 4.1371 4.1371 4.1603 4.1603 4.4502 4.4502 4.4793 4.4793 6.0734 6.0734 6.0785 6.0785 6.9987 6.9987 7.0044 7.0044 7.4542 7.4542 7.4619 7.4619 7.9847 7.9847 7.9890 7.9890 14.3870 14.3870 14.4219 14.4219 14.5811 14.5811 14.5846 14.5846 14.7578 14.7578 k = 0.4756 0.5000 0.2958 ( 3716 PWs) bands (ev): -32.1358 -32.1358 -32.1358 -32.1358 -13.3887 -13.3887 -13.3751 -13.3751 -12.1624 -12.1624 -12.1303 -12.1303 -11.7540 -11.7540 -11.7404 -11.7404 -6.5050 -6.5050 -6.4975 -6.4975 -5.8366 -5.8366 -5.8364 -5.8364 4.1554 4.1554 4.1735 4.1735 4.4296 4.4296 4.4515 4.4515 6.0757 6.0757 6.0791 6.0791 7.0029 7.0029 7.0068 7.0068 7.4591 7.4591 7.4643 7.4643 7.9872 7.9872 7.9901 7.9901 14.4179 14.4179 14.4490 14.4490 14.5504 14.5504 14.5610 14.5610 14.7584 14.7584 k = 0.4878 0.5000 0.2958 ( 3720 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3857 -13.3857 -13.3789 -13.3789 -12.1549 -12.1549 -12.1389 -12.1389 -11.7507 -11.7507 -11.7439 -11.7439 -6.5020 -6.5020 -6.4983 -6.4983 -5.8365 -5.8365 -5.8364 -5.8364 4.1703 4.1703 4.1805 4.1805 4.4184 4.4184 4.4305 4.4305 6.0774 6.0774 6.0791 6.0791 7.0059 7.0059 7.0078 7.0078 7.4627 7.4627 7.4654 7.4654 7.9889 7.9889 7.9904 7.9904 14.4488 14.4488 14.4742 14.4742 14.5209 14.5209 14.5361 14.5361 14.7602 14.7602 k = 0.5000 0.5000 0.2958 ( 3720 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3824 -13.3824 -13.3824 -13.3824 -12.1471 -12.1471 -12.1471 -12.1471 -11.7473 -11.7473 -11.7473 -11.7473 -6.4998 -6.4998 -6.4998 -6.4998 -5.8365 -5.8365 -5.8365 -5.8365 4.1794 4.1794 4.1794 4.1794 4.4188 4.4188 4.4188 4.4188 6.0785 6.0785 6.0785 6.0785 7.0075 7.0075 7.0075 7.0075 7.4648 7.4648 7.4648 7.4648 7.9899 7.9899 7.9899 7.9899 14.4769 14.4769 14.4769 14.4769 14.5134 14.5134 14.5134 14.5134 14.7634 14.7634 k = 0.5000 0.5000 0.2958 ( 3720 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3824 -13.3824 -13.3824 -13.3824 -12.1471 -12.1471 -12.1471 -12.1471 -11.7473 -11.7473 -11.7473 -11.7473 -6.4998 -6.4998 -6.4998 -6.4998 -5.8365 -5.8365 -5.8365 -5.8365 4.1794 4.1794 4.1794 4.1794 4.4188 4.4188 4.4188 4.4188 6.0785 6.0785 6.0785 6.0785 7.0075 7.0075 7.0075 7.0075 7.4648 7.4648 7.4648 7.4648 7.9899 7.9899 7.9899 7.9899 14.4769 14.4769 14.4769 14.4769 14.5134 14.5134 14.5134 14.5134 14.7634 14.7634 k = 0.4912 0.4912 0.2958 ( 3714 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3858 -13.3858 -13.3788 -13.3788 -12.1551 -12.1551 -12.1387 -12.1387 -11.7507 -11.7507 -11.7438 -11.7438 -6.5021 -6.5021 -6.4982 -6.4982 -5.8367 -5.8367 -5.8362 -5.8362 4.1684 4.1684 4.1823 4.1823 4.4167 4.4167 4.4324 4.4324 6.0772 6.0772 6.0793 6.0793 7.0049 7.0049 7.0088 7.0088 7.4622 7.4622 7.4658 7.4658 7.9875 7.9875 7.9917 7.9917 14.4438 14.4438 14.4868 14.4868 14.5077 14.5077 14.5418 14.5418 14.7601 14.7601 k = 0.4825 0.4825 0.2958 ( 3722 PWs) bands (ev): -32.1358 -32.1358 -32.1357 -32.1357 -13.3888 -13.3888 -13.3749 -13.3749 -12.1627 -12.1627 -12.1300 -12.1300 -11.7542 -11.7542 -11.7403 -11.7403 -6.5051 -6.5051 -6.4975 -6.4975 -5.8376 -5.8376 -5.8354 -5.8354 4.1459 4.1459 4.1843 4.1843 4.4192 4.4192 4.4610 4.4610 6.0745 6.0745 6.0803 6.0803 6.9979 6.9979 7.0118 7.0118 7.4561 7.4561 7.4670 7.4670 7.9807 7.9807 7.9964 7.9964 14.4016 14.4016 14.4872 14.4872 14.5115 14.5115 14.5775 14.5775 14.7573 14.7573 k = 0.4737 0.4737 0.2958 ( 3726 PWs) bands (ev): -32.1360 -32.1360 -32.1357 -32.1357 -13.3916 -13.3916 -13.3708 -13.3708 -12.1699 -12.1699 -12.1210 -12.1210 -11.7576 -11.7576 -11.7368 -11.7368 -6.5090 -6.5090 -6.4976 -6.4976 -5.8390 -5.8390 -5.8340 -5.8340 4.1164 4.1164 4.1871 4.1871 4.4242 4.4242 4.5003 4.5003 6.0701 6.0701 6.0817 6.0817 6.9865 6.9865 7.0167 7.0167 7.4464 7.4464 7.4688 7.4688 7.9695 7.9695 8.0039 8.0039 14.3572 14.3572 14.4857 14.4857 14.5193 14.5193 14.6107 14.6107 14.7547 14.7547 k = 0.4649 0.4649 0.2958 ( 3726 PWs) bands (ev): -32.1362 -32.1362 -32.1357 -32.1357 -13.3941 -13.3941 -13.3664 -13.3664 -12.1767 -12.1767 -12.1117 -12.1117 -11.7609 -11.7609 -11.7332 -11.7332 -6.5137 -6.5137 -6.4984 -6.4984 -5.8409 -5.8409 -5.8322 -5.8322 4.0843 4.0843 4.1908 4.1908 4.4313 4.4313 4.5458 4.5458 6.0642 6.0642 6.0837 6.0837 6.9708 6.9708 7.0236 7.0236 7.4334 7.4334 7.4711 7.4711 7.9538 7.9538 8.0139 8.0139 14.3122 14.3122 14.4828 14.4828 14.5304 14.5304 14.6382 14.6382 14.7519 14.7519 k = 0.4561 0.4561 0.2958 ( 3718 PWs) bands (ev): -32.1366 -32.1366 -32.1356 -32.1356 -13.3962 -13.3962 -13.3617 -13.3617 -12.1831 -12.1831 -12.1022 -12.1022 -11.7642 -11.7642 -11.7297 -11.7297 -6.5191 -6.5191 -6.5000 -6.5000 -5.8435 -5.8435 -5.8298 -5.8298 4.0521 4.0521 4.1956 4.1956 4.4405 4.4405 4.5951 4.5951 6.0567 6.0567 6.0863 6.0863 6.9514 6.9514 7.0324 7.0324 7.4175 7.4175 7.4738 7.4738 7.9338 7.9338 8.0260 8.0260 14.2671 14.2671 14.4784 14.4784 14.5446 14.5446 14.6591 14.6591 14.7489 14.7489 k = 0.4474 0.4474 0.2958 ( 3718 PWs) bands (ev): -32.1369 -32.1369 -32.1356 -32.1356 -13.3981 -13.3981 -13.3568 -13.3568 -12.1889 -12.1889 -12.0924 -12.0924 -11.7674 -11.7674 -11.7261 -11.7261 -6.5253 -6.5253 -6.5024 -6.5024 -5.8466 -5.8466 -5.8270 -5.8270 4.0211 4.0211 4.2014 4.2014 4.4517 4.4517 4.6464 4.6464 6.0477 6.0477 6.0895 6.0895 6.9285 6.9285 7.0430 7.0430 7.3991 7.3991 7.4768 7.4768 7.9097 7.9097 8.0396 8.0396 14.2221 14.2221 14.4723 14.4723 14.5615 14.5615 14.6739 14.6739 14.7457 14.7457 k = 0.4386 0.4386 0.2958 ( 3720 PWs) bands (ev): -32.1374 -32.1374 -32.1356 -32.1356 -13.3998 -13.3998 -13.3516 -13.3516 -12.1943 -12.1943 -12.0825 -12.0825 -11.7706 -11.7706 -11.7225 -11.7225 -6.5322 -6.5322 -6.5055 -6.5055 -5.8502 -5.8502 -5.8237 -5.8237 3.9921 3.9921 4.2083 4.2083 4.4648 4.4648 4.6989 4.6989 6.0374 6.0374 6.0932 6.0932 6.9026 6.9026 7.0555 7.0555 7.3787 7.3787 7.4800 7.4800 7.8816 7.8816 8.0545 8.0545 14.1775 14.1775 14.4640 14.4640 14.5809 14.5809 14.6843 14.6843 14.7423 14.7423 k = 0.4298 0.4298 0.2958 ( 3720 PWs) bands (ev): -32.1379 -32.1379 -32.1355 -32.1355 -13.4011 -13.4011 -13.3462 -13.3462 -12.1992 -12.1992 -12.0723 -12.0723 -11.7737 -11.7737 -11.7190 -11.7190 -6.5399 -6.5399 -6.5093 -6.5093 -5.8545 -5.8545 -5.8200 -5.8200 3.9658 3.9658 4.2162 4.2162 4.4798 4.4798 4.7516 4.7516 6.0259 6.0259 6.0975 6.0975 6.8742 6.8742 7.0698 7.0698 7.3565 7.3565 7.4834 7.4834 7.8497 7.8497 8.0701 8.0701 14.1332 14.1332 14.4534 14.4534 14.6022 14.6022 14.6921 14.6921 14.7385 14.7385 k = 0.4211 0.4211 0.2958 ( 3712 PWs) bands (ev): -32.1385 -32.1385 -32.1355 -32.1355 -13.4021 -13.4021 -13.3406 -13.3406 -12.2035 -12.2035 -12.0620 -12.0620 -11.7767 -11.7767 -11.7154 -11.7154 -6.5482 -6.5482 -6.5138 -6.5138 -5.8594 -5.8594 -5.8160 -5.8160 3.9424 3.9424 4.2252 4.2252 4.4966 4.4966 4.8039 4.8039 6.0133 6.0133 6.1024 6.1024 6.8436 6.8436 7.0857 7.0857 7.3331 7.3331 7.4869 7.4869 7.8142 7.8142 8.0863 8.0863 14.0896 14.0896 14.4398 14.4398 14.6244 14.6244 14.6991 14.6991 14.7340 14.7340 k = 0.4123 0.4123 0.2958 ( 3704 PWs) bands (ev): -32.1391 -32.1391 -32.1354 -32.1354 -13.4029 -13.4029 -13.3347 -13.3347 -12.2073 -12.2073 -12.0516 -12.0516 -11.7795 -11.7795 -11.7118 -11.7118 -6.5572 -6.5572 -6.5190 -6.5190 -5.8648 -5.8648 -5.8116 -5.8116 3.9221 3.9221 4.2351 4.2351 4.5152 4.5152 4.8551 4.8551 5.9998 5.9998 6.1079 6.1079 6.8113 6.8113 7.1034 7.1034 7.3085 7.3085 7.4907 7.4907 7.7753 7.7753 8.1026 8.1026 14.0465 14.0465 14.4230 14.4230 14.6454 14.6454 14.7077 14.7077 14.7290 14.7290 k = 0.4035 0.4035 0.2958 ( 3706 PWs) bands (ev): -32.1398 -32.1398 -32.1354 -32.1354 -13.4034 -13.4034 -13.3287 -13.3287 -12.2105 -12.2105 -12.0411 -12.0411 -11.7823 -11.7823 -11.7083 -11.7083 -6.5669 -6.5669 -6.5249 -6.5249 -5.8709 -5.8709 -5.8068 -5.8068 3.9053 3.9053 4.2461 4.2461 4.5355 4.5355 4.9046 4.9046 5.9857 5.9857 6.1140 6.1140 6.7777 6.7777 7.1227 7.1227 7.2831 7.2831 7.4947 7.4947 7.7333 7.7333 8.1188 8.1188 14.0040 14.0040 14.4026 14.4026 14.6614 14.6614 14.7165 14.7165 14.7282 14.7282 k = 0.3947 0.3947 0.2958 ( 3706 PWs) bands (ev): -32.1406 -32.1406 -32.1353 -32.1353 -13.4037 -13.4037 -13.3225 -13.3225 -12.2132 -12.2132 -12.0305 -12.0305 -11.7849 -11.7849 -11.7048 -11.7048 -6.5771 -6.5771 -6.5315 -6.5315 -5.8775 -5.8775 -5.8018 -5.8018 3.8919 3.8919 4.2581 4.2581 4.5574 4.5574 4.9518 4.9518 5.9709 5.9709 6.1206 6.1206 6.7434 6.7434 7.1435 7.1435 7.2571 7.2571 7.4992 7.4992 7.6883 7.6883 8.1348 8.1348 13.9622 13.9622 14.3784 14.3784 14.6701 14.6701 14.7116 14.7116 14.7479 14.7479 k = 0.3860 0.3860 0.2958 ( 3698 PWs) bands (ev): -32.1414 -32.1414 -32.1353 -32.1353 -13.4037 -13.4037 -13.3161 -13.3161 -12.2153 -12.2153 -12.0199 -12.0199 -11.7874 -11.7874 -11.7012 -11.7012 -6.5880 -6.5880 -6.5388 -6.5388 -5.8848 -5.8848 -5.7964 -5.7964 3.8823 3.8823 4.2711 4.2711 4.5808 4.5808 4.9961 4.9961 5.9559 5.9559 6.1279 6.1279 6.7087 6.7087 7.1657 7.1657 7.2306 7.2306 7.5042 7.5042 7.6407 7.6407 8.1503 8.1503 13.9212 13.9212 14.3503 14.3503 14.6732 14.6732 14.7031 14.7031 14.7766 14.7766 k = 0.3772 0.3772 0.2958 ( 3696 PWs) bands (ev): -32.1422 -32.1422 -32.1352 -32.1352 -13.4034 -13.4034 -13.3096 -13.3096 -12.2168 -12.2168 -12.0093 -12.0093 -11.7896 -11.7896 -11.6977 -11.6977 -6.5995 -6.5995 -6.5467 -6.5467 -5.8927 -5.8927 -5.7909 -5.7909 3.8763 3.8763 4.2850 4.2850 4.6056 4.6056 5.0369 5.0369 5.9407 5.9407 6.1358 6.1358 6.6741 6.6741 7.1893 7.1893 7.2038 7.2038 7.5098 7.5098 7.5910 7.5910 8.1653 8.1653 13.8808 13.8808 14.3184 14.3184 14.6726 14.6726 14.6944 14.6944 14.8091 14.8091 k = 0.3684 0.3684 0.2958 ( 3698 PWs) bands (ev): -32.1432 -32.1432 -32.1352 -32.1352 -13.4030 -13.4030 -13.3029 -13.3029 -12.2177 -12.2177 -11.9988 -11.9988 -11.7917 -11.7917 -11.6943 -11.6943 -6.6115 -6.6115 -6.5553 -6.5553 -5.9012 -5.9012 -5.7850 -5.7850 3.8740 3.8740 4.3000 4.3000 4.6317 4.6317 5.0736 5.0736 5.9255 5.9255 6.1443 6.1443 6.6399 6.6399 7.1767 7.1767 7.2142 7.2142 7.5146 7.5146 7.5409 7.5409 8.1795 8.1795 13.8413 13.8413 14.2830 14.2830 14.6692 14.6692 14.6865 14.6865 14.8435 14.8435 k = 0.3596 0.3596 0.2958 ( 3698 PWs) bands (ev): -32.1441 -32.1441 -32.1351 -32.1351 -13.4023 -13.4023 -13.2961 -13.2961 -12.2180 -12.2180 -11.9883 -11.9883 -11.7935 -11.7935 -11.6908 -11.6908 -6.6241 -6.6241 -6.5645 -6.5645 -5.9103 -5.9103 -5.7790 -5.7790 3.8756 3.8756 4.3159 4.3159 4.6589 4.6589 5.1057 5.1057 5.9106 5.9106 6.1534 6.1534 6.6067 6.6067 7.1495 7.1495 7.2401 7.2401 7.4821 7.4821 7.5273 7.5273 8.1930 8.1930 13.8025 13.8025 14.2450 14.2450 14.6637 14.6637 14.6801 14.6801 14.8781 14.8781 k = 0.3509 0.3509 0.2958 ( 3694 PWs) bands (ev): -32.1451 -32.1451 -32.1350 -32.1350 -13.4014 -13.4014 -13.2892 -13.2892 -12.2177 -12.2177 -11.9780 -11.9780 -11.7950 -11.7950 -11.6874 -11.6874 -6.6372 -6.6372 -6.5743 -6.5743 -5.9200 -5.9200 -5.7727 -5.7727 3.8809 3.8809 4.3328 4.3328 4.6870 4.6870 5.1327 5.1327 5.8962 5.8962 6.1630 6.1630 6.5747 6.5747 7.1223 7.1223 7.2670 7.2670 7.4276 7.4276 7.5357 7.5357 8.2055 8.2055 13.7646 13.7646 14.2051 14.2051 14.6574 14.6574 14.6746 14.6746 14.9090 14.9090 k = 0.3421 0.3421 0.2958 ( 3688 PWs) bands (ev): -32.1462 -32.1462 -32.1350 -32.1350 -13.4003 -13.4003 -13.2822 -13.2822 -12.2168 -12.2168 -11.9678 -11.9678 -11.7961 -11.7961 -11.6840 -11.6840 -6.6508 -6.6508 -6.5847 -6.5847 -5.9303 -5.9303 -5.7661 -5.7661 3.8900 3.8900 4.3506 4.3506 4.7159 4.7159 5.1544 5.1544 5.8825 5.8825 6.1733 6.1733 6.5442 6.5442 7.0950 7.0950 7.2936 7.2936 7.3722 7.3722 7.5462 7.5462 8.2172 8.2172 13.7276 13.7276 14.1644 14.1644 14.6514 14.6514 14.6691 14.6691 14.9193 14.9193 k = 0.3333 0.3333 0.2958 ( 3684 PWs) bands (ev): -32.1472 -32.1472 -32.1349 -32.1349 -13.3990 -13.3990 -13.2750 -13.2750 -12.2154 -12.2154 -11.9579 -11.9579 -11.7969 -11.7969 -11.6807 -11.6807 -6.6649 -6.6649 -6.5958 -6.5958 -5.9412 -5.9412 -5.7594 -5.7594 3.9027 3.9027 4.3693 4.3693 4.7455 4.7455 5.1704 5.1704 5.8698 5.8698 6.1841 6.1841 6.5155 6.5155 7.0678 7.0678 7.3008 7.3008 7.3358 7.3358 7.5583 7.5583 8.2279 8.2279 13.6916 13.6916 14.1237 14.1237 14.6465 14.6465 14.6629 14.6629 14.9004 14.9004 k = 0.3246 0.3246 0.2958 ( 3692 PWs) bands (ev): -32.1484 -32.1484 -32.1348 -32.1348 -13.3975 -13.3975 -13.2678 -13.2678 -12.2134 -12.2134 -11.9482 -11.9482 -11.7972 -11.7972 -11.6774 -11.6774 -6.6795 -6.6795 -6.6075 -6.6075 -5.9526 -5.9526 -5.7524 -5.7524 3.9191 3.9191 4.3889 4.3889 4.7754 4.7754 5.1806 5.1806 5.8581 5.8581 6.1955 6.1955 6.4887 6.4887 7.0406 7.0406 7.2486 7.2486 7.3586 7.3586 7.5719 7.5719 8.2375 8.2375 13.6567 13.6567 14.0840 14.0840 14.6429 14.6429 14.6556 14.6556 14.8707 14.8707 k = 0.3158 0.3158 0.2958 ( 3680 PWs) bands (ev): -32.1495 -32.1495 -32.1347 -32.1347 -13.3959 -13.3959 -13.2605 -13.2605 -12.2108 -12.2108 -11.9389 -11.9389 -11.7970 -11.7970 -11.6741 -11.6741 -6.6946 -6.6946 -6.6197 -6.6197 -5.9645 -5.9645 -5.7452 -5.7452 3.9389 3.9389 4.4094 4.4094 4.8056 4.8056 5.1853 5.1853 5.8479 5.8479 6.2075 6.2075 6.4637 6.4637 7.0135 7.0135 7.1895 7.1895 7.3883 7.3883 7.5870 7.5870 8.2462 8.2462 13.6229 13.6229 14.0463 14.0463 14.6407 14.6407 14.6465 14.6465 14.8374 14.8374 k = 0.3070 0.3070 0.2958 ( 3674 PWs) bands (ev): -32.1507 -32.1507 -32.1346 -32.1346 -13.3942 -13.3942 -13.2532 -13.2532 -12.2078 -12.2078 -11.9300 -11.9300 -11.7962 -11.7962 -11.6709 -11.6709 -6.7101 -6.7101 -6.6325 -6.6325 -5.9770 -5.9770 -5.7378 -5.7378 3.9619 3.9619 4.4308 4.4308 4.8357 4.8357 5.1846 5.1846 5.8392 5.8392 6.2199 6.2199 6.4407 6.4407 6.9865 6.9865 7.1292 7.1292 7.4193 7.4193 7.6035 7.6035 8.2539 8.2539 13.5903 13.5903 14.0112 14.0112 14.6342 14.6342 14.6399 14.6399 14.8034 14.8034 k = 0.2982 0.2982 0.2958 ( 3676 PWs) bands (ev): -32.1519 -32.1519 -32.1346 -32.1346 -13.3923 -13.3923 -13.2458 -13.2458 -12.2042 -12.2042 -11.9216 -11.9216 -11.7948 -11.7948 -11.6678 -11.6678 -6.7260 -6.7260 -6.6458 -6.6458 -5.9899 -5.9899 -5.7301 -5.7301 3.9881 3.9881 4.4531 4.4531 4.8655 4.8655 5.1790 5.1790 5.8324 5.8324 6.2329 6.2329 6.4193 6.4193 6.9595 6.9595 7.0685 7.0685 7.4510 7.4510 7.6210 7.6210 8.2606 8.2606 13.5592 13.5592 13.9793 13.9793 14.6176 14.6176 14.6401 14.6401 14.7714 14.7714 k = 0.2895 0.2895 0.2958 ( 3672 PWs) bands (ev): -32.1531 -32.1531 -32.1345 -32.1345 -13.3903 -13.3903 -13.2384 -13.2384 -12.2003 -12.2003 -11.9138 -11.9138 -11.7926 -11.7926 -11.6647 -11.6647 -6.7424 -6.7424 -6.6596 -6.6596 -6.0033 -6.0033 -5.7222 -5.7222 4.0171 4.0171 4.4762 4.4762 4.8947 4.8947 5.1692 5.1692 5.8275 5.8275 6.2462 6.2462 6.3995 6.3995 6.9325 6.9325 7.0078 7.0078 7.4830 7.4830 7.6394 7.6394 8.2663 8.2663 13.5296 13.5296 13.9513 13.9513 14.5945 14.5945 14.6414 14.6414 14.7440 14.7440 k = 0.2807 0.2807 0.2958 ( 3680 PWs) bands (ev): -32.1544 -32.1544 -32.1344 -32.1344 -13.3883 -13.3883 -13.2310 -13.2310 -12.1959 -12.1959 -11.9065 -11.9065 -11.7896 -11.7896 -11.6617 -11.6617 -6.7592 -6.7592 -6.6739 -6.6739 -6.0171 -6.0171 -5.7140 -5.7140 4.0486 4.0486 4.5001 4.5001 4.9232 4.9232 5.1559 5.1559 5.8248 5.8248 6.2600 6.2600 6.3811 6.3811 6.9052 6.9052 6.9476 6.9476 7.5154 7.5154 7.6584 7.6584 8.2710 8.2710 13.5017 13.5017 13.9276 13.9276 14.5639 14.5639 14.6437 14.6437 14.7230 14.7230 k = 0.2719 0.2719 0.2958 ( 3684 PWs) bands (ev): -32.1556 -32.1556 -32.1343 -32.1343 -13.3861 -13.3861 -13.2236 -13.2236 -12.1911 -12.1911 -11.8999 -11.8999 -11.7859 -11.7859 -11.6587 -11.6587 -6.7763 -6.7763 -6.6887 -6.6887 -6.0312 -6.0312 -5.7056 -5.7056 4.0821 4.0821 4.5249 4.5249 4.9505 4.9505 5.1401 5.1401 5.8243 5.8243 6.2739 6.2739 6.3638 6.3638 6.8755 6.8755 6.8903 6.8903 7.5478 7.5478 7.6775 7.6775 8.2748 8.2748 13.4756 13.4756 13.9085 13.9085 14.5269 14.5269 14.6469 14.6469 14.7079 14.7079 k = 0.2632 0.2632 0.2958 ( 3688 PWs) bands (ev): -32.1569 -32.1569 -32.1342 -32.1342 -13.3839 -13.3839 -13.2161 -13.2161 -12.1860 -12.1860 -11.8938 -11.8938 -11.7814 -11.7814 -11.6558 -11.6558 -6.7939 -6.7939 -6.7038 -6.7038 -6.0457 -6.0457 -5.6970 -5.6970 4.1171 4.1171 4.5504 4.5504 4.9765 4.9765 5.1229 5.1229 5.8263 5.8263 6.2878 6.2878 6.3476 6.3476 6.8251 6.8251 6.8545 6.8545 7.5802 7.5802 7.6964 7.6964 8.2777 8.2777 13.4516 13.4516 13.8944 13.8944 14.4854 14.4854 14.6506 14.6506 14.6974 14.6974 k = 0.2544 0.2544 0.2958 ( 3684 PWs) bands (ev): -32.1582 -32.1582 -32.1342 -32.1342 -13.3817 -13.3817 -13.2087 -13.2087 -12.1806 -12.1806 -11.8883 -11.8883 -11.7761 -11.7761 -11.6530 -11.6530 -6.8117 -6.8117 -6.7193 -6.7193 -6.0605 -6.0605 -5.6881 -5.6881 4.1529 4.1529 4.5767 4.5767 5.0007 5.0007 5.1057 5.1057 5.8307 5.8307 6.3010 6.3010 6.3330 6.3330 6.7674 6.7674 6.8269 6.8269 7.6125 7.6125 7.7146 7.7146 8.2799 8.2799 13.4299 13.4299 13.8854 13.8854 14.4412 14.4412 14.6547 14.6547 14.6901 14.6901 k = 0.2456 0.2456 0.2958 ( 3690 PWs) bands (ev): -32.1595 -32.1595 -32.1341 -32.1341 -13.3794 -13.3794 -13.2013 -13.2013 -12.1750 -12.1750 -11.8832 -11.8832 -11.7701 -11.7701 -11.6502 -11.6502 -6.8299 -6.8299 -6.7350 -6.7350 -6.0754 -6.0754 -5.6790 -5.6790 4.1887 4.1887 4.6037 4.6037 5.0222 5.0222 5.0905 5.0905 5.8375 5.8375 6.3079 6.3079 6.3250 6.3250 6.7106 6.7106 6.7999 6.7999 7.6446 7.6446 7.7317 7.7317 8.2812 8.2812 13.4105 13.4105 13.8818 13.8818 14.3957 14.3957 14.6581 14.6581 14.6852 14.6852 k = 0.2368 0.2368 0.2958 ( 3688 PWs) bands (ev): -32.1607 -32.1607 -32.1340 -32.1340 -13.3772 -13.3772 -13.1939 -13.1939 -12.1693 -12.1693 -11.8784 -11.8784 -11.7636 -11.7636 -11.6475 -11.6475 -6.8484 -6.8484 -6.7510 -6.7510 -6.0906 -6.0906 -5.6698 -5.6698 4.2235 4.2235 4.6315 4.6315 5.0382 5.0382 5.0815 5.0815 5.8466 5.8466 6.2984 6.2984 6.3332 6.3332 6.6557 6.6557 6.7730 6.7730 7.6764 7.6764 7.7473 7.7473 8.2819 8.2819 13.3937 13.3937 13.8835 13.8835 14.3499 14.3499 14.6558 14.6558 14.6822 14.6822 k = 0.2281 0.2281 0.2958 ( 3692 PWs) bands (ev): -32.1620 -32.1620 -32.1339 -32.1339 -13.3749 -13.3749 -13.1866 -13.1866 -12.1635 -12.1635 -11.8739 -11.8739 -11.7566 -11.7566 -11.6448 -11.6448 -6.8672 -6.8672 -6.7672 -6.7672 -6.1058 -6.1058 -5.6603 -5.6603 4.2559 4.2559 4.6599 4.6599 5.0434 5.0434 5.0854 5.0854 5.8578 5.8578 6.2851 6.2851 6.3440 6.3440 6.6037 6.6037 6.7459 6.7459 7.7077 7.7077 7.7610 7.7610 8.2819 8.2819 13.3796 13.3796 13.8904 13.8904 14.3043 14.3043 14.6104 14.6104 14.6763 14.6763 k = 0.2193 0.2193 0.2958 ( 3696 PWs) bands (ev): -32.1633 -32.1633 -32.1338 -32.1338 -13.3726 -13.3726 -13.1794 -13.1794 -12.1577 -12.1577 -11.8695 -11.8695 -11.7493 -11.7493 -11.6422 -11.6422 -6.8861 -6.8861 -6.7835 -6.7835 -6.1211 -6.1211 -5.6507 -5.6507 4.2845 4.2845 4.6890 4.6890 5.0427 5.0427 5.0992 5.0992 5.8709 5.8709 6.2718 6.2718 6.3521 6.3521 6.5566 6.5566 6.7187 6.7187 7.7386 7.7386 7.7724 7.7724 8.2814 8.2814 13.3682 13.3682 13.9025 13.9025 14.2595 14.2595 14.5347 14.5347 14.6733 14.6733 k = 0.2105 0.2105 0.2958 ( 3696 PWs) bands (ev): -32.1645 -32.1645 -32.1338 -32.1338 -13.3704 -13.3704 -13.1722 -13.1722 -12.1519 -12.1519 -11.8651 -11.8651 -11.7418 -11.7418 -11.6397 -11.6397 -6.9052 -6.9052 -6.7998 -6.7998 -6.1365 -6.1365 -5.6410 -5.6410 4.3081 4.3081 4.7187 4.7187 5.0452 5.0452 5.1153 5.1153 5.8857 5.8857 6.2588 6.2588 6.3532 6.3532 6.5182 6.5182 6.6914 6.6914 7.7689 7.7689 7.7812 7.7812 8.2804 8.2804 13.3598 13.3598 13.9194 13.9194 14.2158 14.2158 14.4561 14.4561 14.6723 14.6723 k = 0.2018 0.2018 0.2958 ( 3686 PWs) bands (ev): -32.1657 -32.1657 -32.1337 -32.1337 -13.3682 -13.3682 -13.1651 -13.1651 -12.1462 -12.1462 -11.8606 -11.8606 -11.7341 -11.7341 -11.6372 -11.6372 -6.9245 -6.9245 -6.8161 -6.8161 -6.1517 -6.1517 -5.6312 -5.6312 4.3253 4.3253 4.7490 4.7490 5.0547 5.0547 5.1315 5.1315 5.9017 5.9017 6.2465 6.2465 6.3419 6.3419 6.4941 6.4941 6.6638 6.6638 7.7872 7.7872 7.7987 7.7987 8.2789 8.2789 13.3543 13.3543 13.9408 13.9408 14.1736 14.1736 14.3777 14.3777 14.6720 14.6720 k = 0.1930 0.1930 0.2958 ( 3682 PWs) bands (ev): -32.1669 -32.1669 -32.1336 -32.1336 -13.3661 -13.3661 -13.1581 -13.1581 -12.1406 -12.1406 -11.8559 -11.8559 -11.7265 -11.7265 -11.6347 -11.6347 -6.9438 -6.9438 -6.8323 -6.8323 -6.1669 -6.1669 -5.6213 -5.6213 4.3354 4.3354 4.7798 4.7798 5.0723 5.0723 5.1474 5.1474 5.9186 5.9186 6.2348 6.2348 6.3158 6.3158 6.4865 6.4865 6.6360 6.6360 7.7901 7.7901 7.8279 7.8279 8.2771 8.2771 13.3515 13.3515 13.9662 13.9662 14.1331 14.1331 14.3002 14.3002 14.6724 14.6724 k = 0.1842 0.1842 0.2958 ( 3682 PWs) bands (ev): -32.1681 -32.1681 -32.1335 -32.1335 -13.3640 -13.3640 -13.1512 -13.1512 -12.1353 -12.1353 -11.8510 -11.8510 -11.7190 -11.7190 -11.6323 -11.6323 -6.9631 -6.9631 -6.8483 -6.8483 -6.1819 -6.1819 -5.6114 -5.6114 4.3384 4.3384 4.8110 4.8110 5.0982 5.0982 5.1633 5.1633 5.9360 5.9360 6.2237 6.2237 6.2802 6.2802 6.4906 6.4906 6.6079 6.6079 7.7898 7.7898 7.8564 7.8564 8.2750 8.2750 13.3514 13.3514 13.9946 13.9946 14.0946 14.0946 14.2243 14.2243 14.6737 14.6737 k = 0.1754 0.1754 0.2958 ( 3674 PWs) bands (ev): -32.1693 -32.1693 -32.1335 -32.1335 -13.3620 -13.3620 -13.1445 -13.1445 -12.1302 -12.1302 -11.8459 -11.8459 -11.7116 -11.7116 -11.6298 -11.6298 -6.9823 -6.9823 -6.8642 -6.8642 -6.1966 -6.1966 -5.6015 -5.6015 4.3347 4.3347 4.8426 4.8426 5.1305 5.1305 5.1803 5.1803 5.9535 5.9535 6.2122 6.2122 6.2421 6.2421 6.5009 6.5009 6.5796 6.5796 7.7860 7.7860 7.8842 7.8842 8.2727 8.2727 13.3537 13.3537 14.0242 14.0242 14.0590 14.0590 14.1511 14.1511 14.6604 14.6604 k = 0.1667 0.1667 0.2958 ( 3674 PWs) bands (ev): -32.1704 -32.1704 -32.1334 -32.1334 -13.3600 -13.3600 -13.1379 -13.1379 -12.1255 -12.1255 -11.8404 -11.8404 -11.7045 -11.7045 -11.6273 -11.6273 -7.0014 -7.0014 -6.8797 -6.8797 -6.2111 -6.2111 -5.5917 -5.5917 4.3253 4.3253 4.8745 4.8745 5.1640 5.1640 5.2027 5.2027 5.9707 5.9707 6.1893 6.1893 6.2156 6.2156 6.5143 6.5143 6.5509 6.5509 7.7788 7.7788 7.9114 7.9114 8.2702 8.2702 13.3581 13.3581 14.0224 14.0224 14.0483 14.0483 14.0906 14.0906 14.6167 14.6167 k = 0.1579 0.1579 0.2958 ( 3678 PWs) bands (ev): -32.1715 -32.1715 -32.1333 -32.1333 -13.3582 -13.3582 -13.1315 -13.1315 -12.1210 -12.1210 -11.8347 -11.8347 -11.6979 -11.6979 -11.6247 -11.6247 -7.0203 -7.0203 -6.8949 -6.8949 -6.2252 -6.2252 -5.5820 -5.5820 4.3115 4.3115 4.9067 4.9067 5.1889 5.1889 5.2389 5.2389 5.9872 5.9872 6.1512 6.1512 6.2066 6.2066 6.5216 6.5216 6.5294 6.5294 7.7680 7.7680 7.9380 7.9380 8.2676 8.2676 13.3641 13.3641 13.9911 13.9911 14.0001 14.0001 14.1027 14.1027 14.5746 14.5746 k = 0.1491 0.1491 0.2958 ( 3674 PWs) bands (ev): -32.1725 -32.1725 -32.1333 -32.1333 -13.3564 -13.3564 -13.1253 -13.1253 -12.1169 -12.1169 -11.8286 -11.8286 -11.6916 -11.6916 -11.6220 -11.6220 -7.0388 -7.0388 -6.9096 -6.9096 -6.2389 -6.2389 -5.5725 -5.5725 4.2944 4.2944 4.9391 4.9391 5.2061 5.2061 5.2865 5.2865 6.0027 6.0027 6.1115 6.1115 6.2027 6.2027 6.4927 6.4927 6.5448 6.5448 7.7537 7.7537 7.9639 7.9639 8.2650 8.2650 13.3712 13.3712 13.9327 13.9327 13.9641 13.9641 14.1351 14.1351 14.5343 14.5343 k = 0.1404 0.1404 0.2958 ( 3678 PWs) bands (ev): -32.1735 -32.1735 -32.1332 -32.1332 -13.3547 -13.3547 -13.1193 -13.1193 -12.1132 -12.1132 -11.8223 -11.8223 -11.6860 -11.6860 -11.6192 -11.6192 -7.0569 -7.0569 -6.9239 -6.9239 -6.2522 -6.2522 -5.5631 -5.5631 4.2750 4.2750 4.9716 4.9716 5.2206 5.2206 5.3389 5.3389 6.0170 6.0170 6.0727 6.0727 6.2025 6.2025 6.4633 6.4633 6.5606 6.5606 7.7359 7.7359 7.9890 7.9890 8.2624 8.2624 13.3787 13.3787 13.8676 13.8676 13.9389 13.9389 14.1678 14.1678 14.4959 14.4959 k = 0.1316 0.1316 0.2958 ( 3678 PWs) bands (ev): -32.1745 -32.1745 -32.1331 -32.1331 -13.3532 -13.3532 -13.1135 -13.1135 -12.1098 -12.1098 -11.8157 -11.8157 -11.6809 -11.6809 -11.6163 -11.6163 -7.0746 -7.0746 -6.9376 -6.9376 -6.2649 -6.2649 -5.5541 -5.5541 4.2543 4.2543 5.0041 5.0041 5.2343 5.2343 5.3927 5.3927 6.0297 6.0297 6.0358 6.0358 6.2060 6.2060 6.4338 6.4338 6.5764 6.5764 7.7146 7.7146 8.0135 8.0135 8.2599 8.2599 13.3860 13.3860 13.8050 13.8050 13.9172 13.9172 14.1983 14.1983 14.4597 14.4597 k = 0.1228 0.1228 0.2958 ( 3674 PWs) bands (ev): -32.1754 -32.1754 -32.1331 -32.1331 -13.3517 -13.3517 -13.1080 -13.1080 -12.1068 -12.1068 -11.8090 -11.8090 -11.6764 -11.6764 -11.6132 -11.6132 -7.0916 -7.0916 -6.9508 -6.9508 -6.2771 -6.2771 -5.5453 -5.5453 4.2329 4.2329 5.0364 5.0364 5.2475 5.2475 5.4461 5.4461 6.0001 6.0001 6.0414 6.0414 6.2139 6.2139 6.4042 6.4042 6.5920 6.5920 7.6899 7.6899 8.0372 8.0372 8.2575 8.2575 13.3924 13.3924 13.7452 13.7452 13.8990 13.8990 14.2251 14.2251 14.4257 14.4257 k = 0.1140 0.1140 0.2958 ( 3686 PWs) bands (ev): -32.1763 -32.1763 -32.1330 -32.1330 -13.3503 -13.3503 -13.1028 -13.1028 -12.1041 -12.1041 -11.8022 -11.8022 -11.6726 -11.6726 -11.6101 -11.6101 -7.1080 -7.1080 -6.9633 -6.9633 -6.2887 -6.2887 -5.5369 -5.5369 4.2114 4.2114 5.0684 5.0684 5.2606 5.2606 5.4972 5.4972 5.9669 5.9669 6.0512 6.0512 6.2270 6.2270 6.3746 6.3746 6.6073 6.6073 7.6619 7.6619 8.0601 8.0601 8.2552 8.2552 13.3973 13.3973 13.6885 13.6885 13.8845 13.8845 14.2470 14.2470 14.3939 14.3939 k = 0.1053 0.1053 0.2958 ( 3686 PWs) bands (ev): -32.1771 -32.1771 -32.1330 -32.1330 -13.3490 -13.3490 -13.0978 -13.0978 -12.1017 -12.1017 -11.7953 -11.7953 -11.6695 -11.6695 -11.6068 -11.6068 -7.1236 -7.1236 -6.9751 -6.9751 -6.2996 -6.2996 -5.5289 -5.5289 4.1903 4.1903 5.1000 5.1000 5.2736 5.2736 5.5445 5.5445 5.9358 5.9358 6.0593 6.0593 6.2460 6.2460 6.3451 6.3451 6.6219 6.6219 7.6307 7.6307 8.0820 8.0820 8.2532 8.2532 13.4003 13.4003 13.6352 13.6352 13.8734 13.8734 14.2631 14.2631 14.3645 14.3645 k = 0.0965 0.0965 0.2958 ( 3682 PWs) bands (ev): -32.1778 -32.1778 -32.1330 -32.1330 -13.3478 -13.3478 -13.0932 -13.0932 -12.0996 -12.0996 -11.7884 -11.7884 -11.6670 -11.6670 -11.6035 -11.6035 -7.1383 -7.1383 -6.9861 -6.9861 -6.3098 -6.3098 -5.5214 -5.5214 4.1699 4.1699 5.1308 5.1308 5.2866 5.2866 5.5868 5.5868 5.9072 5.9072 6.0660 6.0660 6.2713 6.2713 6.3160 6.3160 6.6360 6.6360 7.5966 7.5966 8.1028 8.1028 8.2515 8.2515 13.4013 13.4013 13.5854 13.5854 13.8656 13.8656 14.2730 14.2730 14.3374 14.3374 k = 0.0877 0.0877 0.2958 ( 3678 PWs) bands (ev): -32.1785 -32.1785 -32.1329 -32.1329 -13.3468 -13.3468 -13.0889 -13.0889 -12.0978 -12.0978 -11.7817 -11.7817 -11.6651 -11.6651 -11.6001 -11.6001 -7.1521 -7.1521 -6.9964 -6.9964 -6.3192 -6.3192 -5.5143 -5.5143 4.1506 4.1506 5.1606 5.1606 5.2995 5.2995 5.6233 5.6233 5.8809 5.8809 6.0711 6.0711 6.2873 6.2873 6.3035 6.3035 6.6494 6.6494 7.5596 7.5596 8.1224 8.1224 8.2500 8.2500 13.4002 13.4002 13.5394 13.5394 13.8604 13.8604 14.2764 14.2764 14.3128 14.3128 k = 0.0789 0.0789 0.2958 ( 3678 PWs) bands (ev): -32.1792 -32.1792 -32.1329 -32.1329 -13.3458 -13.3458 -13.0849 -13.0849 -12.0963 -12.0963 -11.7751 -11.7751 -11.6637 -11.6637 -11.5969 -11.5969 -7.1649 -7.1649 -7.0058 -7.0058 -6.3279 -6.3279 -5.5078 -5.5078 4.1325 4.1325 5.1890 5.1890 5.3124 5.3124 5.6535 5.6535 5.8572 5.8572 6.0748 6.0748 6.2596 6.2596 6.3417 6.3417 6.6619 6.6619 7.5201 7.5201 8.1405 8.1405 8.2490 8.2490 13.3974 13.3974 13.4972 13.4972 13.8574 13.8574 14.2738 14.2738 14.2910 14.2910 k = 0.0702 0.0702 0.2958 ( 3680 PWs) bands (ev): -32.1798 -32.1798 -32.1328 -32.1328 -13.3449 -13.3449 -13.0813 -13.0813 -12.0950 -12.0950 -11.7689 -11.7689 -11.6628 -11.6628 -11.5938 -11.5938 -7.1765 -7.1765 -7.0144 -7.0144 -6.3358 -6.3358 -5.5019 -5.5019 4.1159 4.1159 5.2156 5.2156 5.3252 5.3252 5.6776 5.6776 5.8363 5.8363 6.0773 6.0773 6.2328 6.2328 6.3855 6.3855 6.6736 6.6736 7.4784 7.4784 8.1569 8.1569 8.2484 8.2484 13.3932 13.3932 13.4591 13.4591 13.8560 13.8560 14.2648 14.2648 14.2731 14.2731 k = 0.0614 0.0614 0.2958 ( 3684 PWs) bands (ev): -32.1803 -32.1803 -32.1328 -32.1328 -13.3442 -13.3442 -13.0781 -13.0781 -12.0939 -12.0939 -11.7630 -11.7630 -11.6622 -11.6622 -11.5910 -11.5910 -7.1870 -7.1870 -7.0220 -7.0220 -6.3428 -6.3428 -5.4966 -5.4966 4.1010 4.1010 5.2400 5.2400 5.3379 5.3379 5.6960 5.6960 5.8182 5.8182 6.0788 6.0788 6.2075 6.2075 6.4334 6.4334 6.6845 6.6845 7.4350 7.4350 8.1714 8.1714 8.2484 8.2484 13.3881 13.3881 13.4251 13.4251 13.8556 13.8556 14.2503 14.2503 14.2598 14.2598 k = 0.0526 0.0526 0.2958 ( 3676 PWs) bands (ev): -32.1807 -32.1807 -32.1328 -32.1328 -13.3435 -13.3435 -13.0753 -13.0753 -12.0930 -12.0930 -11.7576 -11.7576 -11.6620 -11.6620 -11.5884 -11.5884 -7.1962 -7.1962 -7.0287 -7.0287 -6.3489 -6.3489 -5.4919 -5.4919 4.0878 4.0878 5.2616 5.2616 5.3504 5.3504 5.7092 5.7092 5.8032 5.8032 6.0794 6.0794 6.1840 6.1840 6.4837 6.4837 6.6947 6.6947 7.3904 7.3904 8.1838 8.1838 8.2491 8.2491 13.3825 13.3825 13.3955 13.3955 13.8558 13.8558 14.2357 14.2357 14.2470 14.2470 k = 0.0439 0.0439 0.2958 ( 3668 PWs) bands (ev): -32.1811 -32.1811 -32.1328 -32.1328 -13.3430 -13.3430 -13.0729 -13.0729 -12.0922 -12.0922 -11.7528 -11.7528 -11.6620 -11.6620 -11.5861 -11.5861 -7.2040 -7.2040 -7.0344 -7.0344 -6.3541 -6.3541 -5.4879 -5.4879 4.0765 4.0765 5.2801 5.2801 5.3626 5.3626 5.7178 5.7178 5.7915 5.7915 6.0794 6.0794 6.1628 6.1628 6.5340 6.5340 6.7045 6.7045 7.3456 7.3456 8.1937 8.1937 8.2505 8.2505 13.3695 13.3695 13.3778 13.3778 13.8563 13.8563 14.2230 14.2230 14.2340 14.2340 k = 0.0351 0.0351 0.2958 ( 3670 PWs) bands (ev): -32.1814 -32.1814 -32.1327 -32.1327 -13.3425 -13.3425 -13.0709 -13.0709 -12.0917 -12.0917 -11.7486 -11.7486 -11.6622 -11.6622 -11.5843 -11.5843 -7.2106 -7.2106 -7.0391 -7.0391 -6.3584 -6.3584 -5.4846 -5.4846 4.0672 4.0672 5.2952 5.2952 5.3739 5.3739 5.7225 5.7225 5.7833 5.7833 6.0790 6.0790 6.1444 6.1444 6.5816 6.5816 6.7144 6.7144 7.3020 7.3020 8.2011 8.2011 8.2525 8.2525 13.3489 13.3489 13.3726 13.3726 13.8569 13.8569 14.2126 14.2126 14.2218 14.2218 k = 0.0263 0.0263 0.2958 ( 3666 PWs) bands (ev): -32.1816 -32.1816 -32.1327 -32.1327 -13.3422 -13.3422 -13.0694 -13.0694 -12.0912 -12.0912 -11.7453 -11.7453 -11.6624 -11.6624 -11.5827 -11.5827 -7.2157 -7.2157 -7.0427 -7.0427 -6.3618 -6.3618 -5.4820 -5.4820 4.0599 4.0599 5.3067 5.3067 5.3838 5.3838 5.7241 5.7241 5.7783 5.7783 6.0785 6.0785 6.1294 6.1294 6.6224 6.6224 6.7256 6.7256 7.2616 7.2616 8.2063 8.2063 8.2549 8.2549 13.3327 13.3327 13.3683 13.3683 13.8574 13.8574 14.2046 14.2046 14.2113 14.2113 k = 0.0175 0.0175 0.2958 ( 3662 PWs) bands (ev): -32.1818 -32.1818 -32.1327 -32.1327 -13.3419 -13.3419 -13.0683 -13.0683 -12.0909 -12.0909 -11.7428 -11.7428 -11.6627 -11.6627 -11.5816 -11.5816 -7.2194 -7.2194 -7.0454 -7.0454 -6.3642 -6.3642 -5.4801 -5.4801 4.0546 4.0546 5.3147 5.3147 5.3917 5.3917 5.7240 5.7240 5.7757 5.7757 6.0779 6.0779 6.1182 6.1182 6.6519 6.6519 6.7389 6.7389 7.2276 7.2276 8.2096 8.2096 8.2571 8.2571 13.3210 13.3210 13.3652 13.3652 13.8577 13.8577 14.1988 14.1988 14.2032 14.2032 k = 0.0088 0.0088 0.2958 ( 3662 PWs) bands (ev): -32.1819 -32.1819 -32.1327 -32.1327 -13.3417 -13.3417 -13.0676 -13.0676 -12.0907 -12.0907 -11.7413 -11.7413 -11.6629 -11.6629 -11.5810 -11.5810 -7.2216 -7.2216 -7.0470 -7.0470 -6.3657 -6.3657 -5.4790 -5.4790 4.0514 4.0514 5.3195 5.3195 5.3967 5.3967 5.7234 5.7234 5.7745 5.7745 6.0775 6.0775 6.1113 6.1113 6.6681 6.6681 6.7514 6.7514 7.2042 7.2042 8.2113 8.2113 8.2586 8.2586 13.3140 13.3140 13.3632 13.3632 13.8580 13.8580 14.1955 14.1955 14.1981 14.1981 k = 0.0000 0.0000 0.2958 ( 3652 PWs) bands (ev): -32.1820 -32.1820 -32.1327 -32.1327 -13.3417 -13.3417 -13.0674 -13.0674 -12.0907 -12.0907 -11.7407 -11.7407 -11.6629 -11.6629 -11.5808 -11.5808 -7.2223 -7.2223 -7.0475 -7.0475 -6.3662 -6.3662 -5.4786 -5.4786 4.0503 4.0503 5.3211 5.3211 5.3984 5.3984 5.7230 5.7230 5.7742 5.7742 6.0774 6.0774 6.1090 6.1090 6.6730 6.6730 6.7568 6.7568 7.1957 7.1957 8.2119 8.2119 8.2592 8.2592 13.3117 13.3117 13.3625 13.3625 13.8580 13.8580 14.1944 14.1944 14.1963 14.1963 k = 0.0000 0.5000-0.0000 ( 3696 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3140 -13.3140 -13.3140 -13.3140 -12.0551 -12.0551 -12.0551 -12.0551 -11.6688 -11.6688 -11.6688 -11.6688 -6.7846 -6.7846 -6.7846 -6.7846 -5.8594 -5.8594 -5.8594 -5.8594 4.2110 4.2110 4.2110 4.2110 5.6817 5.6817 5.6817 5.6817 6.0938 6.0938 6.0938 6.0938 6.7835 6.7835 6.7835 6.7835 6.8214 6.8214 6.8214 6.8214 7.5538 7.5538 7.5538 7.5538 13.2066 13.2066 13.2066 13.2066 13.7412 13.7412 13.7412 13.7412 14.8186 14.8186 k = 0.0000 0.5000 0.0123 ( 3686 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3140 -13.3140 -13.3140 -13.3140 -12.0551 -12.0551 -12.0551 -12.0551 -11.6688 -11.6688 -11.6688 -11.6688 -6.7847 -6.7847 -6.7847 -6.7847 -5.8593 -5.8593 -5.8593 -5.8593 4.2114 4.2114 4.2114 4.2114 5.6811 5.6811 5.6811 5.6811 6.0880 6.0880 6.0880 6.0880 6.7882 6.7882 6.7882 6.7882 6.8227 6.8227 6.8227 6.8227 7.5543 7.5543 7.5543 7.5543 13.2064 13.2064 13.2064 13.2064 13.7438 13.7438 13.7438 13.7438 14.8083 14.8083 k = 0.0000 0.5000 0.0247 ( 3678 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3141 -13.3141 -13.3141 -13.3141 -12.0552 -12.0552 -12.0552 -12.0552 -11.6686 -11.6686 -11.6686 -11.6686 -6.7849 -6.7849 -6.7849 -6.7849 -5.8591 -5.8591 -5.8591 -5.8591 4.2127 4.2127 4.2127 4.2127 5.6793 5.6793 5.6793 5.6793 6.0711 6.0711 6.0711 6.0711 6.8008 6.8008 6.8008 6.8008 6.8273 6.8273 6.8274 6.8274 7.5556 7.5556 7.5556 7.5556 13.2059 13.2059 13.2059 13.2059 13.7514 13.7514 13.7514 13.7514 14.7809 14.7809 k = 0.0000 0.5000 0.0370 ( 3678 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3142 -13.3142 -13.3142 -13.3142 -12.0553 -12.0553 -12.0553 -12.0553 -11.6683 -11.6683 -11.6683 -11.6683 -6.7851 -6.7851 -6.7851 -6.7851 -5.8587 -5.8587 -5.8587 -5.8587 4.2149 4.2149 4.2149 4.2149 5.6764 5.6764 5.6764 5.6764 6.0447 6.0447 6.0447 6.0447 6.8163 6.8163 6.8163 6.8163 6.8388 6.8388 6.8388 6.8388 7.5578 7.5578 7.5578 7.5578 13.2051 13.2051 13.2051 13.2051 13.7641 13.7641 13.7641 13.7641 14.7431 14.7431 k = 0.0000 0.5000 0.0493 ( 3688 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3144 -13.3144 -13.3144 -13.3144 -12.0554 -12.0554 -12.0554 -12.0554 -11.6680 -11.6680 -11.6680 -11.6680 -6.7855 -6.7855 -6.7855 -6.7855 -5.8581 -5.8581 -5.8581 -5.8581 4.2179 4.2179 4.2179 4.2179 5.6724 5.6724 5.6724 5.6724 6.0107 6.0107 6.0107 6.0107 6.8277 6.8277 6.8277 6.8277 6.8620 6.8620 6.8620 6.8620 7.5609 7.5609 7.5610 7.5610 13.2040 13.2040 13.2040 13.2040 13.7818 13.7818 13.7818 13.7818 14.6998 14.6998 k = 0.0000 0.5000 0.0616 ( 3688 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3146 -13.3146 -13.3146 -13.3146 -12.0555 -12.0555 -12.0555 -12.0555 -11.6675 -11.6675 -11.6675 -11.6675 -6.7860 -6.7860 -6.7860 -6.7860 -5.8574 -5.8574 -5.8574 -5.8574 4.2218 4.2218 4.2218 4.2218 5.6674 5.6674 5.6674 5.6674 5.9711 5.9711 5.9711 5.9711 6.8370 6.8370 6.8370 6.8370 6.8930 6.8930 6.8931 6.8931 7.5650 7.5650 7.5650 7.5650 13.2026 13.2026 13.2026 13.2026 13.8043 13.8043 13.8043 13.8043 14.6536 14.6536 k = 0.0000 0.5000 0.0740 ( 3692 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3148 -13.3148 -13.3148 -13.3148 -12.0557 -12.0557 -12.0557 -12.0557 -11.6670 -11.6670 -11.6670 -11.6670 -6.7865 -6.7865 -6.7865 -6.7865 -5.8565 -5.8565 -5.8565 -5.8565 4.2265 4.2265 4.2265 4.2265 5.6615 5.6615 5.6615 5.6615 5.9275 5.9275 5.9275 5.9275 6.8466 6.8466 6.8466 6.8466 6.9275 6.9275 6.9275 6.9275 7.5699 7.5699 7.5699 7.5699 13.2009 13.2009 13.2009 13.2009 13.8314 13.8314 13.8314 13.8314 14.6063 14.6063 k = 0.0000 0.5000 0.0863 ( 3696 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3151 -13.3151 -13.3151 -13.3151 -12.0559 -12.0559 -12.0559 -12.0559 -11.6664 -11.6664 -11.6664 -11.6664 -6.7871 -6.7871 -6.7871 -6.7871 -5.8556 -5.8556 -5.8556 -5.8556 4.2320 4.2320 4.2320 4.2320 5.6548 5.6548 5.6548 5.6548 5.8813 5.8813 5.8813 5.8813 6.8570 6.8570 6.8570 6.8570 6.9634 6.9634 6.9634 6.9634 7.5758 7.5758 7.5758 7.5758 13.1990 13.1990 13.1990 13.1990 13.8631 13.8631 13.8631 13.8631 14.5588 14.5588 k = 0.0000 0.5000 0.0986 ( 3688 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3154 -13.3154 -13.3154 -13.3154 -12.0562 -12.0562 -12.0562 -12.0562 -11.6657 -11.6657 -11.6657 -11.6657 -6.7878 -6.7878 -6.7878 -6.7878 -5.8545 -5.8545 -5.8545 -5.8545 4.2382 4.2382 4.2382 4.2382 5.6474 5.6474 5.6474 5.6474 5.8338 5.8338 5.8338 5.8338 6.8682 6.8682 6.8682 6.8682 6.9995 6.9995 6.9995 6.9995 7.5826 7.5826 7.5826 7.5826 13.1970 13.1970 13.1970 13.1970 13.8989 13.8989 13.8989 13.8989 14.5117 14.5117 k = 0.0000 0.5000 0.1109 ( 3688 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3157 -13.3157 -13.3157 -13.3157 -12.0564 -12.0564 -12.0564 -12.0564 -11.6649 -11.6649 -11.6649 -11.6649 -6.7886 -6.7886 -6.7886 -6.7886 -5.8534 -5.8534 -5.8534 -5.8534 4.2451 4.2451 4.2451 4.2451 5.6393 5.6393 5.6393 5.6393 5.7858 5.7858 5.7858 5.7858 6.8800 6.8800 6.8800 6.8800 7.0347 7.0347 7.0347 7.0347 7.5904 7.5904 7.5904 7.5904 13.1947 13.1947 13.1947 13.1947 13.9387 13.9387 13.9387 13.9387 14.4655 14.4655 k = 0.0000 0.5000 0.1233 ( 3688 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3161 -13.3161 -13.3161 -13.3161 -12.0567 -12.0567 -12.0567 -12.0567 -11.6641 -11.6641 -11.6641 -11.6641 -6.7894 -6.7894 -6.7894 -6.7894 -5.8522 -5.8522 -5.8522 -5.8522 4.2526 4.2526 4.2526 4.2526 5.6304 5.6304 5.6304 5.6304 5.7384 5.7384 5.7384 5.7384 6.8924 6.8924 6.8924 6.8924 7.0684 7.0684 7.0684 7.0684 7.5990 7.5990 7.5990 7.5990 13.1924 13.1924 13.1924 13.1924 13.9819 13.9819 13.9819 13.9819 14.4208 14.4208 k = 0.0000 0.5000 0.1356 ( 3680 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3164 -13.3164 -13.3164 -13.3164 -12.0569 -12.0569 -12.0569 -12.0569 -11.6633 -11.6633 -11.6633 -11.6633 -6.7902 -6.7902 -6.7902 -6.7902 -5.8509 -5.8509 -5.8509 -5.8509 4.2607 4.2607 4.2607 4.2607 5.6200 5.6200 5.6200 5.6200 5.6931 5.6931 5.6931 5.6931 6.9050 6.9050 6.9050 6.9050 7.1002 7.1002 7.1002 7.1002 7.6084 7.6084 7.6084 7.6084 13.1899 13.1899 13.1899 13.1899 14.0281 14.0281 14.0281 14.0281 14.3779 14.3779 k = 0.0000 0.5000 0.1479 ( 3682 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3168 -13.3168 -13.3168 -13.3168 -12.0572 -12.0572 -12.0572 -12.0572 -11.6625 -11.6625 -11.6625 -11.6625 -6.7910 -6.7910 -6.7910 -6.7910 -5.8496 -5.8496 -5.8496 -5.8496 4.2692 4.2692 4.2692 4.2692 5.6053 5.6053 5.6053 5.6053 5.6533 5.6533 5.6533 5.6533 6.9177 6.9177 6.9177 6.9177 7.1296 7.1296 7.1296 7.1296 7.6184 7.6184 7.6184 7.6184 13.1875 13.1875 13.1875 13.1875 14.0768 14.0768 14.0768 14.0768 14.3372 14.3372 k = 0.0000 0.5000 0.1602 ( 3678 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3171 -13.3171 -13.3171 -13.3171 -12.0575 -12.0575 -12.0575 -12.0575 -11.6617 -11.6617 -11.6617 -11.6617 -6.7918 -6.7918 -6.7918 -6.7918 -5.8484 -5.8484 -5.8484 -5.8484 4.2781 4.2781 4.2781 4.2781 5.5792 5.5792 5.5792 5.5792 5.6266 5.6266 5.6266 5.6266 6.9303 6.9303 6.9303 6.9303 7.1565 7.1565 7.1565 7.1565 7.6291 7.6291 7.6291 7.6291 13.1850 13.1850 13.1850 13.1850 14.1268 14.1268 14.1268 14.1268 14.2993 14.2993 k = 0.0000 0.5000 0.1726 ( 3668 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3175 -13.3175 -13.3175 -13.3175 -12.0577 -12.0577 -12.0577 -12.0577 -11.6609 -11.6609 -11.6609 -11.6609 -6.7926 -6.7926 -6.7926 -6.7926 -5.8471 -5.8471 -5.8471 -5.8471 4.2872 4.2872 4.2872 4.2872 5.5431 5.5431 5.5431 5.5431 5.6123 5.6123 5.6123 5.6123 6.9425 6.9425 6.9425 6.9425 7.1806 7.1806 7.1806 7.1806 7.6400 7.6400 7.6400 7.6400 13.1826 13.1826 13.1826 13.1826 14.1760 14.1760 14.1760 14.1760 14.2662 14.2662 k = 0.0000 0.5000 0.1849 ( 3672 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3178 -13.3178 -13.3178 -13.3178 -12.0580 -12.0580 -12.0580 -12.0580 -11.6601 -11.6601 -11.6601 -11.6601 -6.7934 -6.7934 -6.7934 -6.7934 -5.8459 -5.8459 -5.8459 -5.8459 4.2964 4.2964 4.2964 4.2964 5.5052 5.5052 5.5052 5.5052 5.6027 5.6027 5.6027 5.6027 6.9542 6.9542 6.9542 6.9542 7.2020 7.2020 7.2020 7.2020 7.6511 7.6511 7.6511 7.6511 13.1802 13.1802 13.1803 13.1803 14.2066 14.2066 14.2066 14.2066 14.2550 14.2550 k = 0.0000 0.5000 0.1972 ( 3668 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3181 -13.3181 -13.3181 -13.3181 -12.0582 -12.0582 -12.0582 -12.0582 -11.6594 -11.6594 -11.6594 -11.6594 -6.7941 -6.7941 -6.7941 -6.7941 -5.8448 -5.8448 -5.8448 -5.8448 4.3054 4.3054 4.3054 4.3054 5.4688 5.4688 5.4688 5.4688 5.5949 5.5949 5.5949 5.5949 6.9652 6.9652 6.9652 6.9652 7.2206 7.2206 7.2206 7.2206 7.6620 7.6620 7.6620 7.6620 13.1780 13.1780 13.1780 13.1780 14.1893 14.1893 14.1893 14.1893 14.2942 14.2942 k = 0.0000 0.5000 0.2095 ( 3664 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3184 -13.3184 -13.3184 -13.3184 -12.0584 -12.0584 -12.0584 -12.0584 -11.6587 -11.6587 -11.6587 -11.6587 -6.7948 -6.7948 -6.7948 -6.7948 -5.8437 -5.8437 -5.8437 -5.8437 4.3142 4.3142 4.3142 4.3142 5.4352 5.4352 5.4352 5.4352 5.5882 5.5882 5.5882 5.5882 6.9754 6.9754 6.9754 6.9754 7.2367 7.2367 7.2367 7.2367 7.6724 7.6724 7.6724 7.6724 13.1760 13.1760 13.1760 13.1760 14.1641 14.1641 14.1641 14.1641 14.3430 14.3430 k = 0.0000 0.5000 0.2219 ( 3662 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3187 -13.3187 -13.3187 -13.3187 -12.0586 -12.0586 -12.0586 -12.0586 -11.6581 -11.6581 -11.6581 -11.6581 -6.7954 -6.7954 -6.7954 -6.7954 -5.8428 -5.8428 -5.8428 -5.8428 4.3224 4.3224 4.3225 4.3225 5.4049 5.4049 5.4049 5.4049 5.5824 5.5824 5.5824 5.5824 6.9845 6.9845 6.9845 6.9845 7.2502 7.2502 7.2502 7.2502 7.6822 7.6822 7.6822 7.6822 13.1741 13.1741 13.1741 13.1741 14.1408 14.1408 14.1408 14.1408 14.3908 14.3908 k = 0.0000 0.5000 0.2342 ( 3666 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3189 -13.3189 -13.3189 -13.3189 -12.0588 -12.0588 -12.0588 -12.0588 -11.6576 -11.6576 -11.6576 -11.6576 -6.7959 -6.7959 -6.7959 -6.7959 -5.8419 -5.8419 -5.8419 -5.8419 4.3300 4.3300 4.3300 4.3300 5.3785 5.3785 5.3785 5.3785 5.5774 5.5774 5.5774 5.5774 6.9924 6.9924 6.9924 6.9924 7.2613 7.2613 7.2613 7.2613 7.6909 7.6909 7.6909 7.6909 13.1725 13.1725 13.1725 13.1725 14.1204 14.1204 14.1204 14.1204 14.4351 14.4351 k = 0.0000 0.5000 0.2465 ( 3674 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3191 -13.3191 -13.3191 -13.3191 -12.0590 -12.0590 -12.0590 -12.0590 -11.6571 -11.6571 -11.6571 -11.6571 -6.7964 -6.7964 -6.7964 -6.7964 -5.8412 -5.8412 -5.8412 -5.8412 4.3365 4.3365 4.3365 4.3365 5.3563 5.3563 5.3563 5.3563 5.5734 5.5734 5.5734 5.5734 6.9991 6.9991 6.9991 6.9991 7.2703 7.2703 7.2703 7.2703 7.6984 7.6984 7.6984 7.6984 13.1711 13.1711 13.1711 13.1711 14.1034 14.1034 14.1034 14.1034 14.4742 14.4742 k = 0.0000 0.5000 0.2588 ( 3676 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3193 -13.3193 -13.3193 -13.3193 -12.0591 -12.0591 -12.0591 -12.0591 -11.6568 -11.6568 -11.6567 -11.6567 -6.7967 -6.7967 -6.7967 -6.7967 -5.8407 -5.8407 -5.8407 -5.8407 4.3419 4.3419 4.3419 4.3419 5.3386 5.3386 5.3386 5.3386 5.5702 5.5702 5.5702 5.5702 7.0044 7.0044 7.0044 7.0044 7.2771 7.2771 7.2771 7.2771 7.7044 7.7044 7.7044 7.7044 13.1701 13.1701 13.1701 13.1701 14.0901 14.0901 14.0901 14.0901 14.5067 14.5067 k = 0.0000 0.5000 0.2712 ( 3676 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3194 -13.3194 -13.3194 -13.3194 -12.0592 -12.0592 -12.0592 -12.0592 -11.6565 -11.6565 -11.6565 -11.6565 -6.7970 -6.7970 -6.7970 -6.7970 -5.8403 -5.8403 -5.8403 -5.8403 4.3459 4.3459 4.3459 4.3459 5.3258 5.3258 5.3258 5.3258 5.5679 5.5679 5.5679 5.5679 7.0082 7.0082 7.0082 7.0082 7.2818 7.2818 7.2818 7.2818 7.7089 7.7089 7.7089 7.7089 13.1693 13.1693 13.1693 13.1693 14.0805 14.0805 14.0805 14.0805 14.5312 14.5312 k = 0.0000 0.5000 0.2835 ( 3676 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3195 -13.3195 -13.3195 -13.3195 -12.0592 -12.0592 -12.0592 -12.0592 -11.6563 -11.6563 -11.6563 -11.6563 -6.7972 -6.7972 -6.7972 -6.7972 -5.8400 -5.8400 -5.8400 -5.8400 4.3484 4.3484 4.3484 4.3484 5.3180 5.3180 5.3180 5.3180 5.5665 5.5665 5.5665 5.5665 7.0105 7.0105 7.0105 7.0105 7.2847 7.2847 7.2847 7.2847 7.7116 7.7116 7.7116 7.7116 13.1688 13.1688 13.1688 13.1688 14.0747 14.0747 14.0747 14.0747 14.5464 14.5464 k = 0.0000 0.5000 0.2958 ( 3672 PWs) bands (ev): -32.1464 -32.1464 -32.1464 -32.1464 -13.3195 -13.3195 -13.3195 -13.3195 -12.0592 -12.0592 -12.0592 -12.0592 -11.6563 -11.6563 -11.6563 -11.6563 -6.7972 -6.7972 -6.7972 -6.7972 -5.8399 -5.8399 -5.8399 -5.8399 4.3492 4.3492 4.3492 4.3492 5.3154 5.3154 5.3154 5.3154 5.5660 5.5660 5.5660 5.5660 7.0113 7.0113 7.0113 7.0113 7.2856 7.2856 7.2856 7.2856 7.7125 7.7125 7.7125 7.7125 13.1686 13.1686 13.1686 13.1686 14.0727 14.0727 14.0727 14.0727 14.5516 14.5516 k = 0.5000 0.5000-0.0000 ( 3672 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3829 -13.3829 -13.3829 -13.3829 -12.1468 -12.1468 -12.1468 -12.1468 -11.7425 -11.7425 -11.7425 -11.7425 -6.5010 -6.5010 -6.5010 -6.5010 -5.8609 -5.8609 -5.8609 -5.8609 4.2457 4.2457 4.2457 4.2457 4.8864 4.8864 4.8864 4.8864 5.8144 5.8144 5.8144 5.8144 6.4635 6.4635 6.4635 6.4635 7.7307 7.7307 7.7307 7.7307 7.9898 7.9898 7.9898 7.9898 13.7940 13.7940 13.7940 13.7940 14.8519 14.8519 14.8519 14.8519 14.9641 14.9641 k = 0.5000 0.5000 0.0123 ( 3696 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3829 -13.3829 -13.3829 -13.3829 -12.1468 -12.1468 -12.1468 -12.1468 -11.7426 -11.7426 -11.7426 -11.7426 -6.5010 -6.5010 -6.5010 -6.5010 -5.8608 -5.8608 -5.8608 -5.8608 4.2454 4.2454 4.2454 4.2454 4.8837 4.8837 4.8837 4.8837 5.8154 5.8154 5.8154 5.8154 6.4665 6.4665 6.4665 6.4665 7.7297 7.7297 7.7297 7.7297 7.9898 7.9898 7.9898 7.9898 13.7957 13.7957 13.7957 13.7957 14.8439 14.8439 14.8439 14.8439 14.9728 14.9728 k = 0.5000 0.5000 0.0247 ( 3712 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3829 -13.3829 -13.3829 -13.3829 -12.1468 -12.1468 -12.1468 -12.1468 -11.7426 -11.7426 -11.7426 -11.7426 -6.5010 -6.5010 -6.5010 -6.5010 -5.8605 -5.8605 -5.8605 -5.8605 4.2445 4.2445 4.2445 4.2445 4.8758 4.8758 4.8758 4.8758 5.8184 5.8184 5.8184 5.8184 6.4754 6.4754 6.4754 6.4754 7.7267 7.7267 7.7267 7.7267 7.9898 7.9898 7.9898 7.9898 13.8011 13.8011 13.8011 13.8011 14.8250 14.8250 14.8250 14.8250 14.9942 14.9942 k = 0.5000 0.5000 0.0370 ( 3712 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3829 -13.3829 -13.3829 -13.3829 -12.1468 -12.1468 -12.1468 -12.1468 -11.7427 -11.7427 -11.7427 -11.7427 -6.5010 -6.5010 -6.5010 -6.5010 -5.8600 -5.8600 -5.8600 -5.8600 4.2431 4.2431 4.2431 4.2431 4.8630 4.8630 4.8630 4.8630 5.8233 5.8233 5.8233 5.8233 6.4900 6.4900 6.4900 6.4900 7.7217 7.7217 7.7217 7.7217 7.9898 7.9898 7.9898 7.9898 13.8100 13.8100 13.8100 13.8100 14.8017 14.8017 14.8017 14.8017 15.0218 15.0218 k = 0.5000 0.5000 0.0493 ( 3712 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3829 -13.3829 -13.3829 -13.3829 -12.1468 -12.1468 -12.1468 -12.1468 -11.7429 -11.7429 -11.7429 -11.7429 -6.5009 -6.5009 -6.5009 -6.5009 -5.8593 -5.8593 -5.8593 -5.8593 4.2410 4.2410 4.2410 4.2410 4.8457 4.8457 4.8457 4.8457 5.8301 5.8301 5.8301 5.8301 6.5097 6.5097 6.5097 6.5097 7.7148 7.7148 7.7148 7.7148 7.9898 7.9898 7.9898 7.9898 13.8224 13.8224 13.8224 13.8224 14.7771 14.7771 14.7771 14.7771 15.0522 15.0522 k = 0.5000 0.5000 0.0616 ( 3720 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3829 -13.3829 -13.3829 -13.3829 -12.1468 -12.1468 -12.1468 -12.1468 -11.7430 -11.7430 -11.7430 -11.7430 -6.5009 -6.5009 -6.5009 -6.5009 -5.8584 -5.8584 -5.8584 -5.8584 4.2385 4.2385 4.2385 4.2385 4.8245 4.8245 4.8245 4.8245 5.8387 5.8387 5.8387 5.8387 6.5338 6.5338 6.5338 6.5338 7.7061 7.7061 7.7061 7.7061 7.9898 7.9898 7.9898 7.9898 13.8382 13.8382 13.8382 13.8382 14.7525 14.7525 14.7525 14.7525 15.0839 15.0839 k = 0.5000 0.5000 0.0740 ( 3724 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3829 -13.3829 -13.3829 -13.3829 -12.1469 -12.1469 -12.1469 -12.1469 -11.7433 -11.7433 -11.7433 -11.7433 -6.5008 -6.5008 -6.5008 -6.5008 -5.8573 -5.8573 -5.8573 -5.8573 4.2355 4.2355 4.2355 4.2355 4.8000 4.8000 4.8000 4.8000 5.8491 5.8491 5.8491 5.8491 6.5617 6.5617 6.5617 6.5617 7.6957 7.6957 7.6957 7.6957 7.9898 7.9898 7.9898 7.9898 13.8574 13.8574 13.8574 13.8574 14.7285 14.7285 14.7285 14.7285 15.1162 15.1162 k = 0.5000 0.5000 0.0863 ( 3732 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3829 -13.3829 -13.3829 -13.3829 -12.1469 -12.1469 -12.1469 -12.1469 -11.7435 -11.7435 -11.7435 -11.7435 -6.5008 -6.5008 -6.5008 -6.5008 -5.8561 -5.8561 -5.8561 -5.8561 4.2321 4.2321 4.2321 4.2321 4.7731 4.7731 4.7731 4.7731 5.8610 5.8610 5.8610 5.8610 6.5925 6.5925 6.5925 6.5925 7.6837 7.6837 7.6837 7.6837 7.9898 7.9898 7.9898 7.9898 13.8799 13.8799 13.8799 13.8799 14.7054 14.7054 14.7054 14.7054 15.1482 15.1482 k = 0.5000 0.5000 0.0986 ( 3732 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3828 -13.3828 -13.3828 -13.3828 -12.1469 -12.1469 -12.1469 -12.1469 -11.7438 -11.7438 -11.7438 -11.7438 -6.5007 -6.5007 -6.5007 -6.5007 -5.8548 -5.8548 -5.8548 -5.8548 4.2284 4.2284 4.2284 4.2284 4.7442 4.7442 4.7442 4.7442 5.8744 5.8744 5.8744 5.8744 6.6256 6.6256 6.6256 6.6256 7.6703 7.6703 7.6703 7.6703 7.9898 7.9898 7.9898 7.9898 13.9055 13.9055 13.9055 13.9055 14.6834 14.6834 14.6834 14.6834 15.1784 15.1784 k = 0.5000 0.5000 0.1109 ( 3740 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3828 -13.3828 -13.3828 -13.3828 -12.1469 -12.1469 -12.1469 -12.1469 -11.7440 -11.7440 -11.7440 -11.7440 -6.5006 -6.5006 -6.5006 -6.5006 -5.8534 -5.8534 -5.8534 -5.8534 4.2244 4.2244 4.2244 4.2244 4.7142 4.7142 4.7142 4.7142 5.8889 5.8889 5.8889 5.8889 6.6601 6.6601 6.6601 6.6601 7.6556 7.6556 7.6556 7.6556 7.9898 7.9898 7.9898 7.9898 13.9342 13.9342 13.9342 13.9342 14.6626 14.6626 14.6626 14.6626 15.1996 15.1996 k = 0.5000 0.5000 0.1233 ( 3740 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3828 -13.3828 -13.3828 -13.3828 -12.1469 -12.1469 -12.1469 -12.1469 -11.7443 -11.7443 -11.7443 -11.7443 -6.5006 -6.5006 -6.5006 -6.5006 -5.8519 -5.8519 -5.8519 -5.8519 4.2202 4.2202 4.2203 4.2203 4.6836 4.6836 4.6836 4.6836 5.9046 5.9046 5.9046 5.9046 6.6955 6.6955 6.6955 6.6955 7.6400 7.6400 7.6400 7.6400 7.9898 7.9898 7.9898 7.9898 13.9656 13.9656 13.9656 13.9656 14.6431 14.6431 14.6431 14.6431 15.1924 15.1924 k = 0.5000 0.5000 0.1356 ( 3728 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3827 -13.3827 -13.3827 -13.3827 -12.1469 -12.1469 -12.1469 -12.1469 -11.7446 -11.7446 -11.7446 -11.7446 -6.5005 -6.5005 -6.5005 -6.5005 -5.8503 -5.8503 -5.8503 -5.8503 4.2160 4.2160 4.2160 4.2160 4.6530 4.6530 4.6530 4.6530 5.9210 5.9210 5.9210 5.9210 6.7310 6.7310 6.7310 6.7310 7.6235 7.6235 7.6235 7.6235 7.9898 7.9898 7.9898 7.9898 13.9998 13.9998 13.9998 13.9998 14.6249 14.6249 14.6249 14.6249 15.1678 15.1678 k = 0.5000 0.5000 0.1479 ( 3712 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3827 -13.3827 -13.3827 -13.3827 -12.1469 -12.1469 -12.1469 -12.1469 -11.7449 -11.7449 -11.7449 -11.7449 -6.5004 -6.5004 -6.5004 -6.5004 -5.8487 -5.8487 -5.8487 -5.8487 4.2117 4.2117 4.2117 4.2117 4.6229 4.6229 4.6229 4.6229 5.9379 5.9379 5.9379 5.9379 6.7661 6.7661 6.7661 6.7661 7.6065 7.6065 7.6065 7.6065 7.9898 7.9898 7.9898 7.9898 14.0364 14.0364 14.0364 14.0364 14.6081 14.6081 14.6081 14.6081 15.1384 15.1384 k = 0.5000 0.5000 0.1602 ( 3712 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3827 -13.3827 -13.3827 -13.3827 -12.1470 -12.1470 -12.1470 -12.1470 -11.7452 -11.7452 -11.7452 -11.7452 -6.5003 -6.5003 -6.5003 -6.5003 -5.8471 -5.8471 -5.8471 -5.8471 4.2074 4.2074 4.2074 4.2074 4.5937 4.5937 4.5937 4.5937 5.9552 5.9552 5.9552 5.9552 6.8002 6.8002 6.8002 6.8002 7.5891 7.5891 7.5891 7.5891 7.9898 7.9898 7.9898 7.9898 14.0751 14.0751 14.0751 14.0751 14.5927 14.5927 14.5927 14.5927 15.1067 15.1067 k = 0.5000 0.5000 0.1726 ( 3716 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3826 -13.3826 -13.3826 -13.3826 -12.1470 -12.1470 -12.1470 -12.1470 -11.7455 -11.7455 -11.7455 -11.7455 -6.5002 -6.5002 -6.5002 -6.5002 -5.8455 -5.8455 -5.8455 -5.8455 4.2032 4.2032 4.2032 4.2032 4.5659 4.5659 4.5659 4.5659 5.9724 5.9724 5.9724 5.9724 6.8328 6.8328 6.8328 6.8328 7.5718 7.5718 7.5718 7.5718 7.9899 7.9899 7.9899 7.9899 14.1158 14.1158 14.1158 14.1158 14.5786 14.5786 14.5786 14.5786 15.0733 15.0733 k = 0.5000 0.5000 0.1849 ( 3716 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3826 -13.3826 -13.3826 -13.3826 -12.1470 -12.1470 -12.1470 -12.1470 -11.7458 -11.7458 -11.7458 -11.7458 -6.5001 -6.5001 -6.5001 -6.5001 -5.8440 -5.8440 -5.8440 -5.8440 4.1992 4.1992 4.1992 4.1992 4.5397 4.5397 4.5397 4.5397 5.9893 5.9893 5.9893 5.9893 6.8636 6.8636 6.8636 6.8636 7.5548 7.5548 7.5548 7.5548 7.9899 7.9899 7.9899 7.9899 14.1580 14.1580 14.1580 14.1580 14.5659 14.5659 14.5659 14.5659 15.0385 15.0385 k = 0.5000 0.5000 0.1972 ( 3720 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3826 -13.3826 -13.3826 -13.3826 -12.1470 -12.1470 -12.1470 -12.1470 -11.7461 -11.7461 -11.7461 -11.7461 -6.5001 -6.5001 -6.5001 -6.5001 -5.8426 -5.8426 -5.8426 -5.8426 4.1954 4.1954 4.1954 4.1954 4.5156 4.5156 4.5156 4.5156 6.0056 6.0056 6.0056 6.0056 6.8921 6.8921 6.8921 6.8921 7.5384 7.5384 7.5384 7.5384 7.9899 7.9899 7.9899 7.9899 14.2013 14.2013 14.2013 14.2013 14.5545 14.5545 14.5545 14.5545 15.0027 15.0027 k = 0.5000 0.5000 0.2095 ( 3712 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3825 -13.3825 -13.3825 -13.3825 -12.1470 -12.1470 -12.1470 -12.1470 -11.7464 -11.7464 -11.7464 -11.7464 -6.5000 -6.5000 -6.5000 -6.5000 -5.8413 -5.8413 -5.8413 -5.8413 4.1919 4.1919 4.1919 4.1919 4.4937 4.4937 4.4937 4.4937 6.0210 6.0210 6.0210 6.0210 6.9180 6.9180 6.9180 6.9180 7.5229 7.5229 7.5229 7.5229 7.9899 7.9899 7.9899 7.9899 14.2454 14.2454 14.2454 14.2454 14.5446 14.5446 14.5446 14.5446 14.9660 14.9660 k = 0.5000 0.5000 0.2219 ( 3712 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3825 -13.3825 -13.3825 -13.3825 -12.1470 -12.1470 -12.1470 -12.1470 -11.7466 -11.7466 -11.7466 -11.7466 -6.4999 -6.4999 -6.4999 -6.4999 -5.8400 -5.8400 -5.8400 -5.8400 4.1888 4.1888 4.1888 4.1888 4.4744 4.4744 4.4744 4.4744 6.0351 6.0351 6.0351 6.0351 6.9410 6.9410 6.9410 6.9410 7.5086 7.5086 7.5086 7.5086 7.9899 7.9899 7.9899 7.9899 14.2896 14.2896 14.2896 14.2896 14.5360 14.5360 14.5360 14.5360 14.9289 14.9289 k = 0.5000 0.5000 0.2342 ( 3712 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3825 -13.3825 -13.3825 -13.3825 -12.1470 -12.1470 -12.1470 -12.1470 -11.7468 -11.7468 -11.7468 -11.7468 -6.4999 -6.4999 -6.4999 -6.4999 -5.8390 -5.8390 -5.8390 -5.8390 4.1860 4.1860 4.1860 4.1860 4.4577 4.4577 4.4577 4.4577 6.0477 6.0477 6.0477 6.0477 6.9609 6.9609 6.9609 6.9609 7.4960 7.4960 7.4960 7.4960 7.9899 7.9899 7.9899 7.9899 14.3331 14.3331 14.3331 14.3331 14.5287 14.5287 14.5287 14.5287 14.8918 14.8918 k = 0.5000 0.5000 0.2465 ( 3720 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3825 -13.3825 -13.3825 -13.3825 -12.1471 -12.1471 -12.1471 -12.1471 -11.7470 -11.7470 -11.7470 -11.7470 -6.4998 -6.4998 -6.4998 -6.4998 -5.8381 -5.8381 -5.8381 -5.8381 4.1837 4.1837 4.1837 4.1837 4.4438 4.4438 4.4438 4.4438 6.0584 6.0584 6.0584 6.0584 6.9775 6.9775 6.9775 6.9775 7.4851 7.4851 7.4851 7.4851 7.9899 7.9899 7.9899 7.9899 14.3750 14.3750 14.3750 14.3750 14.5228 14.5228 14.5228 14.5228 14.8555 14.8555 k = 0.5000 0.5000 0.2588 ( 3720 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3825 -13.3825 -13.3825 -13.3825 -12.1471 -12.1471 -12.1471 -12.1471 -11.7471 -11.7471 -11.7471 -11.7471 -6.4998 -6.4998 -6.4998 -6.4998 -5.8374 -5.8374 -5.8374 -5.8374 4.1818 4.1818 4.1818 4.1818 4.4330 4.4330 4.4330 4.4330 6.0670 6.0670 6.0670 6.0670 6.9905 6.9905 6.9905 6.9905 7.4764 7.4764 7.4764 7.4764 7.9899 7.9899 7.9899 7.9899 14.4135 14.4135 14.4135 14.4135 14.5184 14.5184 14.5184 14.5184 14.8214 14.8214 k = 0.5000 0.5000 0.2712 ( 3732 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3825 -13.3825 -13.3825 -13.3825 -12.1471 -12.1471 -12.1471 -12.1471 -11.7472 -11.7472 -11.7472 -11.7472 -6.4998 -6.4998 -6.4998 -6.4998 -5.8369 -5.8369 -5.8369 -5.8369 4.1805 4.1805 4.1805 4.1805 4.4251 4.4251 4.4251 4.4251 6.0734 6.0734 6.0734 6.0734 6.9999 6.9999 6.9999 6.9999 7.4700 7.4700 7.4700 7.4700 7.9899 7.9899 7.9899 7.9899 14.4461 14.4461 14.4461 14.4461 14.5153 14.5153 14.5153 14.5153 14.7920 14.7920 k = 0.5000 0.5000 0.2835 ( 3732 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3825 -13.3825 -13.3825 -13.3825 -12.1471 -12.1471 -12.1471 -12.1471 -11.7473 -11.7473 -11.7473 -11.7473 -6.4998 -6.4998 -6.4998 -6.4998 -5.8366 -5.8366 -5.8366 -5.8366 4.1797 4.1797 4.1797 4.1797 4.4204 4.4204 4.4204 4.4204 6.0772 6.0772 6.0772 6.0772 7.0056 7.0056 7.0056 7.0056 7.4661 7.4661 7.4661 7.4661 7.9899 7.9899 7.9899 7.9899 14.4687 14.4687 14.4687 14.4687 14.5138 14.5138 14.5138 14.5138 14.7711 14.7711 k = 0.5000 0.5000 0.2958 ( 3720 PWs) bands (ev): -32.1357 -32.1357 -32.1357 -32.1357 -13.3824 -13.3824 -13.3824 -13.3824 -12.1471 -12.1471 -12.1471 -12.1471 -11.7473 -11.7473 -11.7473 -11.7473 -6.4998 -6.4998 -6.4998 -6.4998 -5.8365 -5.8365 -5.8365 -5.8365 4.1794 4.1794 4.1794 4.1794 4.4188 4.4188 4.4188 4.4188 6.0785 6.0785 6.0785 6.0785 7.0075 7.0075 7.0075 7.0075 7.4648 7.4648 7.4648 7.4648 7.9899 7.9899 7.9899 7.9899 14.4769 14.4769 14.4769 14.4769 14.5134 14.5134 14.5134 14.5134 14.7634 14.7634 Writing output data file YClO.save init_run : 0.29s CPU 0.80s WALL ( 1 calls) electrons : 197.14s CPU 201.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.22s WALL ( 1 calls) potinit : 0.01s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 197.13s CPU 201.20s 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 : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.07s WALL ( 359 calls) cegterg : 182.06s CPU 184.67s WALL ( 625 calls) Called by sum_band: Called by *egterg: h_psi : 88.19s CPU 90.22s WALL ( 9201 calls) s_psi : 7.48s CPU 7.33s WALL ( 9201 calls) g_psi : 0.26s CPU 0.25s WALL ( 8217 calls) cdiaghg : 78.62s CPU 79.66s WALL ( 8576 calls) cegterg:over : 7.46s CPU 7.48s WALL ( 8217 calls) cegterg:upda : 6.16s CPU 6.25s WALL ( 8217 calls) cegterg:last : 3.15s CPU 3.24s WALL ( 1356 calls) cdiaghg:chol : 4.47s CPU 4.46s WALL ( 8576 calls) cdiaghg:inve : 3.08s CPU 3.21s WALL ( 8576 calls) cdiaghg:para : 5.11s CPU 5.18s WALL ( 17152 calls) Called by h_psi: h_psi:vloc : 72.26s CPU 73.79s WALL ( 9201 calls) h_psi:vnl : 15.65s CPU 16.18s WALL ( 9201 calls) add_vuspsi : 8.36s CPU 8.79s WALL ( 9201 calls) General routines calbec : 7.27s CPU 7.37s WALL ( 9201 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 67.74s CPU 69.20s WALL ( 1048324 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.23s WALL ( 718 calls) Parallel routines fft_scatter : 26.59s CPU 27.13s WALL ( 1048347 calls) PWSCF : 3m35.94s CPU 4m 1.04s WALL This run was terminated on: 17:11:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=