Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:17:27 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: ./CaxBCx2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 37 20 6 1990 818 138 Max 39 21 7 1995 851 145 Sum 1353 749 225 71729 30281 5017 bravais-lattice index = 14 lattice parameter (alat) = 7.1660 a.u. unit-cell volume = 717.7748 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.166030 celldm(2)= 1.000000 celldm(3)= 1.950529 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 1.950529 ) 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 0.512682 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) 8 Sym. Ops., with inversion, found (note: 8 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] 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 = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 361 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0027701 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0027701 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0027701 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0027701 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0027701 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0027701 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0027701 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0027701 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0027701 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0027701 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0027701 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0027701 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0027701 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027701 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0027701 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0027701 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0027701 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0027701 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0027701 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0027701 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027701 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0027701 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0027701 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0027701 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0027701 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0027701 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0027701 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027701 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0027701 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0027701 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0027701 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0027701 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0027701 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0027701 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0027701 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0027701 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0027701 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0027701 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0027701 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0027701 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0027701 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0027701 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0027701 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0027701 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0027701 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0027701 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0027701 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0027701 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0027701 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0027701 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0027701 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0027701 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0027701 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0027701 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027701 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0027701 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0027701 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0027701 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0027701 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0027701 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0027701 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027701 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0027701 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0027701 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0027701 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0027701 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0027701 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0027701 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027701 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0027701 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0027701 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0027701 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0027701 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0027701 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0027701 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0027701 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0027701 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0027701 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0027701 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0027701 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0027701 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0027701 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0027701 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0027701 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0027701 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0027701 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0027701 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0027701 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0027701 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0027701 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0027701 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0027701 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0027701 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0027701 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0027701 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0027701 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0027701 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0027701 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0027701 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0027701 k( 106) = ( 0.3389831 0.3389830 -0.0000000), wk = 0.0027701 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0027701 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0027701 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0027701 k( 110) = ( 0.3050848 0.3050847 -0.0000000), wk = 0.0027701 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0027701 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0027701 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0027701 k( 114) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0027701 k( 115) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0027701 k( 116) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0027701 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0027701 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0027701 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0027701 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0027701 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0027701 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0027701 k( 123) = ( 0.1949153 0.1949152 -0.0000000), wk = 0.0027701 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0027701 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0027701 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0027701 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0027701 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0027701 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0027701 k( 130) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0027701 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0027701 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0027701 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0027701 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0027701 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0027701 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0027701 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0027701 k( 138) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0027701 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0027701 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0027701 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0027701 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0027701 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0027701 k( 144) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0027701 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0027701 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 148) = ( 0.0000000 0.0000000 0.0116519), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.0233037), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.0349556), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.0466074), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.0582593), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.0699111), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.0815630), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.0932148), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.1048667), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.1165185), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.1281704), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.1398222), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.1514741), wk = 0.0027701 k( 161) = ( 0.0000000 0.0000000 0.1631259), wk = 0.0027701 k( 162) = ( 0.0000000 0.0000000 0.1747778), wk = 0.0027701 k( 163) = ( 0.0000000 0.0000000 0.1864296), wk = 0.0027701 k( 164) = ( 0.0000000 0.0000000 0.1980815), wk = 0.0027701 k( 165) = ( 0.0000000 0.0000000 0.2097333), wk = 0.0027701 k( 166) = ( 0.0000000 0.0000000 0.2213852), wk = 0.0027701 k( 167) = ( 0.0000000 0.0000000 0.2330370), wk = 0.0027701 k( 168) = ( 0.0000000 0.0000000 0.2446889), wk = 0.0027701 k( 169) = ( 0.0000000 0.0000000 0.2563408), wk = 0.0027701 k( 170) = ( 0.0000000 0.0000000 0.2563408), wk = 0.0027701 k( 171) = ( 0.0000000 0.0119048 0.2563408), wk = 0.0027701 k( 172) = ( 0.0000000 0.0238095 0.2563408), wk = 0.0027701 k( 173) = ( 0.0000000 0.0357143 0.2563408), wk = 0.0027701 k( 174) = ( 0.0000000 0.0476191 0.2563408), wk = 0.0027701 k( 175) = ( 0.0000000 0.0595238 0.2563408), wk = 0.0027701 k( 176) = ( 0.0000000 0.0714286 0.2563408), wk = 0.0027701 k( 177) = ( 0.0000000 0.0833333 0.2563408), wk = 0.0027701 k( 178) = ( 0.0000000 0.0952381 0.2563408), wk = 0.0027701 k( 179) = ( 0.0000000 0.1071429 0.2563408), wk = 0.0027701 k( 180) = ( 0.0000000 0.1190476 0.2563408), wk = 0.0027701 k( 181) = ( 0.0000000 0.1309524 0.2563408), wk = 0.0027701 k( 182) = ( 0.0000000 0.1428571 0.2563408), wk = 0.0027701 k( 183) = ( 0.0000000 0.1547619 0.2563408), wk = 0.0027701 k( 184) = ( 0.0000000 0.1666667 0.2563408), wk = 0.0027701 k( 185) = ( 0.0000000 0.1785714 0.2563408), wk = 0.0027701 k( 186) = ( 0.0000000 0.1904762 0.2563408), wk = 0.0027701 k( 187) = ( 0.0000000 0.2023810 0.2563408), wk = 0.0027701 k( 188) = ( 0.0000000 0.2142857 0.2563408), wk = 0.0027701 k( 189) = ( 0.0000000 0.2261905 0.2563408), wk = 0.0027701 k( 190) = ( 0.0000000 0.2380952 0.2563408), wk = 0.0027701 k( 191) = ( 0.0000000 0.2500000 0.2563408), wk = 0.0027701 k( 192) = ( 0.0000000 0.2619048 0.2563408), wk = 0.0027701 k( 193) = ( 0.0000000 0.2738095 0.2563408), wk = 0.0027701 k( 194) = ( 0.0000000 0.2857143 0.2563408), wk = 0.0027701 k( 195) = ( 0.0000000 0.2976190 0.2563408), wk = 0.0027701 k( 196) = ( 0.0000000 0.3095238 0.2563408), wk = 0.0027701 k( 197) = ( 0.0000000 0.3214286 0.2563408), wk = 0.0027701 k( 198) = ( 0.0000000 0.3333333 0.2563408), wk = 0.0027701 k( 199) = ( 0.0000000 0.3452381 0.2563408), wk = 0.0027701 k( 200) = ( 0.0000000 0.3571429 0.2563408), wk = 0.0027701 k( 201) = ( 0.0000000 0.3690476 0.2563408), wk = 0.0027701 k( 202) = ( 0.0000000 0.3809524 0.2563408), wk = 0.0027701 k( 203) = ( 0.0000000 0.3928571 0.2563408), wk = 0.0027701 k( 204) = ( 0.0000000 0.4047619 0.2563408), wk = 0.0027701 k( 205) = ( 0.0000000 0.4166667 0.2563408), wk = 0.0027701 k( 206) = ( 0.0000000 0.4285714 0.2563408), wk = 0.0027701 k( 207) = ( 0.0000000 0.4404762 0.2563408), wk = 0.0027701 k( 208) = ( 0.0000000 0.4523810 0.2563408), wk = 0.0027701 k( 209) = ( 0.0000000 0.4642857 0.2563408), wk = 0.0027701 k( 210) = ( 0.0000000 0.4761905 0.2563408), wk = 0.0027701 k( 211) = ( 0.0000000 0.4880952 0.2563408), wk = 0.0027701 k( 212) = ( 0.0000000 0.5000000 0.2563408), wk = 0.0027701 k( 213) = ( 0.0000000 0.5000000 0.2563408), wk = 0.0027701 k( 214) = ( 0.0119048 0.5000000 0.2563408), wk = 0.0027701 k( 215) = ( 0.0238095 0.5000000 0.2563408), wk = 0.0027701 k( 216) = ( 0.0357143 0.5000000 0.2563408), wk = 0.0027701 k( 217) = ( 0.0476191 0.5000000 0.2563408), wk = 0.0027701 k( 218) = ( 0.0595238 0.5000000 0.2563408), wk = 0.0027701 k( 219) = ( 0.0714286 0.5000000 0.2563408), wk = 0.0027701 k( 220) = ( 0.0833333 0.5000000 0.2563408), wk = 0.0027701 k( 221) = ( 0.0952381 0.5000000 0.2563408), wk = 0.0027701 k( 222) = ( 0.1071429 0.5000000 0.2563408), wk = 0.0027701 k( 223) = ( 0.1190476 0.5000000 0.2563408), wk = 0.0027701 k( 224) = ( 0.1309524 0.5000000 0.2563408), wk = 0.0027701 k( 225) = ( 0.1428571 0.5000000 0.2563408), wk = 0.0027701 k( 226) = ( 0.1547619 0.5000000 0.2563408), wk = 0.0027701 k( 227) = ( 0.1666667 0.5000000 0.2563408), wk = 0.0027701 k( 228) = ( 0.1785714 0.5000000 0.2563408), wk = 0.0027701 k( 229) = ( 0.1904762 0.5000000 0.2563408), wk = 0.0027701 k( 230) = ( 0.2023810 0.5000000 0.2563408), wk = 0.0027701 k( 231) = ( 0.2142857 0.5000000 0.2563408), wk = 0.0027701 k( 232) = ( 0.2261905 0.5000000 0.2563408), wk = 0.0027701 k( 233) = ( 0.2380952 0.5000000 0.2563408), wk = 0.0027701 k( 234) = ( 0.2500000 0.5000000 0.2563408), wk = 0.0027701 k( 235) = ( 0.2619048 0.5000000 0.2563408), wk = 0.0027701 k( 236) = ( 0.2738095 0.5000000 0.2563408), wk = 0.0027701 k( 237) = ( 0.2857143 0.5000000 0.2563408), wk = 0.0027701 k( 238) = ( 0.2976190 0.5000000 0.2563408), wk = 0.0027701 k( 239) = ( 0.3095238 0.5000000 0.2563408), wk = 0.0027701 k( 240) = ( 0.3214286 0.5000000 0.2563408), wk = 0.0027701 k( 241) = ( 0.3333333 0.5000000 0.2563408), wk = 0.0027701 k( 242) = ( 0.3452381 0.5000000 0.2563408), wk = 0.0027701 k( 243) = ( 0.3571429 0.5000000 0.2563408), wk = 0.0027701 k( 244) = ( 0.3690476 0.5000000 0.2563408), wk = 0.0027701 k( 245) = ( 0.3809524 0.5000000 0.2563408), wk = 0.0027701 k( 246) = ( 0.3928571 0.5000000 0.2563408), wk = 0.0027701 k( 247) = ( 0.4047619 0.5000000 0.2563408), wk = 0.0027701 k( 248) = ( 0.4166667 0.5000000 0.2563408), wk = 0.0027701 k( 249) = ( 0.4285714 0.5000000 0.2563408), wk = 0.0027701 k( 250) = ( 0.4404762 0.5000000 0.2563408), wk = 0.0027701 k( 251) = ( 0.4523810 0.5000000 0.2563408), wk = 0.0027701 k( 252) = ( 0.4642857 0.5000000 0.2563408), wk = 0.0027701 k( 253) = ( 0.4761905 0.5000000 0.2563408), wk = 0.0027701 k( 254) = ( 0.4880952 0.5000000 0.2563408), wk = 0.0027701 k( 255) = ( 0.5000000 0.5000000 0.2563408), wk = 0.0027701 k( 256) = ( 0.5000000 0.5000000 0.2563408), wk = 0.0027701 k( 257) = ( 0.4915254 0.4915254 0.2563408), wk = 0.0027701 k( 258) = ( 0.4830508 0.4830508 0.2563408), wk = 0.0027701 k( 259) = ( 0.4745763 0.4745763 0.2563408), wk = 0.0027701 k( 260) = ( 0.4661017 0.4661017 0.2563408), wk = 0.0027701 k( 261) = ( 0.4576271 0.4576271 0.2563408), wk = 0.0027701 k( 262) = ( 0.4491525 0.4491525 0.2563408), wk = 0.0027701 k( 263) = ( 0.4406780 0.4406780 0.2563408), wk = 0.0027701 k( 264) = ( 0.4322034 0.4322034 0.2563408), wk = 0.0027701 k( 265) = ( 0.4237288 0.4237288 0.2563408), wk = 0.0027701 k( 266) = ( 0.4152542 0.4152542 0.2563408), wk = 0.0027701 k( 267) = ( 0.4067797 0.4067797 0.2563408), wk = 0.0027701 k( 268) = ( 0.3983051 0.3983051 0.2563408), wk = 0.0027701 k( 269) = ( 0.3898305 0.3898305 0.2563408), wk = 0.0027701 k( 270) = ( 0.3813559 0.3813559 0.2563408), wk = 0.0027701 k( 271) = ( 0.3728814 0.3728814 0.2563408), wk = 0.0027701 k( 272) = ( 0.3644068 0.3644068 0.2563408), wk = 0.0027701 k( 273) = ( 0.3559322 0.3559322 0.2563408), wk = 0.0027701 k( 274) = ( 0.3474576 0.3474576 0.2563408), wk = 0.0027701 k( 275) = ( 0.3389831 0.3389830 0.2563408), wk = 0.0027701 k( 276) = ( 0.3305085 0.3305085 0.2563408), wk = 0.0027701 k( 277) = ( 0.3220339 0.3220339 0.2563408), wk = 0.0027701 k( 278) = ( 0.3135593 0.3135593 0.2563408), wk = 0.0027701 k( 279) = ( 0.3050848 0.3050847 0.2563408), wk = 0.0027701 k( 280) = ( 0.2966102 0.2966102 0.2563408), wk = 0.0027701 k( 281) = ( 0.2881356 0.2881356 0.2563408), wk = 0.0027701 k( 282) = ( 0.2796610 0.2796610 0.2563408), wk = 0.0027701 k( 283) = ( 0.2711864 0.2711864 0.2563408), wk = 0.0027701 k( 284) = ( 0.2627119 0.2627119 0.2563408), wk = 0.0027701 k( 285) = ( 0.2542373 0.2542373 0.2563408), wk = 0.0027701 k( 286) = ( 0.2457627 0.2457627 0.2563408), wk = 0.0027701 k( 287) = ( 0.2372881 0.2372881 0.2563408), wk = 0.0027701 k( 288) = ( 0.2288136 0.2288136 0.2563408), wk = 0.0027701 k( 289) = ( 0.2203390 0.2203390 0.2563408), wk = 0.0027701 k( 290) = ( 0.2118644 0.2118644 0.2563408), wk = 0.0027701 k( 291) = ( 0.2033898 0.2033898 0.2563408), wk = 0.0027701 k( 292) = ( 0.1949153 0.1949152 0.2563408), wk = 0.0027701 k( 293) = ( 0.1864407 0.1864407 0.2563408), wk = 0.0027701 k( 294) = ( 0.1779661 0.1779661 0.2563408), wk = 0.0027701 k( 295) = ( 0.1694915 0.1694915 0.2563408), wk = 0.0027701 k( 296) = ( 0.1610169 0.1610169 0.2563408), wk = 0.0027701 k( 297) = ( 0.1525424 0.1525424 0.2563408), wk = 0.0027701 k( 298) = ( 0.1440678 0.1440678 0.2563408), wk = 0.0027701 k( 299) = ( 0.1355932 0.1355932 0.2563408), wk = 0.0027701 k( 300) = ( 0.1271186 0.1271186 0.2563408), wk = 0.0027701 k( 301) = ( 0.1186441 0.1186441 0.2563408), wk = 0.0027701 k( 302) = ( 0.1101695 0.1101695 0.2563408), wk = 0.0027701 k( 303) = ( 0.1016949 0.1016949 0.2563408), wk = 0.0027701 k( 304) = ( 0.0932203 0.0932203 0.2563408), wk = 0.0027701 k( 305) = ( 0.0847458 0.0847458 0.2563408), wk = 0.0027701 k( 306) = ( 0.0762712 0.0762712 0.2563408), wk = 0.0027701 k( 307) = ( 0.0677966 0.0677966 0.2563408), wk = 0.0027701 k( 308) = ( 0.0593220 0.0593220 0.2563408), wk = 0.0027701 k( 309) = ( 0.0508475 0.0508475 0.2563408), wk = 0.0027701 k( 310) = ( 0.0423729 0.0423729 0.2563408), wk = 0.0027701 k( 311) = ( 0.0338983 0.0338983 0.2563408), wk = 0.0027701 k( 312) = ( 0.0254237 0.0254237 0.2563408), wk = 0.0027701 k( 313) = ( 0.0169491 0.0169491 0.2563408), wk = 0.0027701 k( 314) = ( 0.0084746 0.0084746 0.2563408), wk = 0.0027701 k( 315) = ( 0.0000000 0.0000000 0.2563408), wk = 0.0027701 k( 316) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 317) = ( 0.0000000 0.5000000 0.0116519), wk = 0.0027701 k( 318) = ( 0.0000000 0.5000000 0.0233037), wk = 0.0027701 k( 319) = ( 0.0000000 0.5000000 0.0349556), wk = 0.0027701 k( 320) = ( 0.0000000 0.5000000 0.0466074), wk = 0.0027701 k( 321) = ( 0.0000000 0.5000000 0.0582593), wk = 0.0027701 k( 322) = ( 0.0000000 0.5000000 0.0699111), wk = 0.0027701 k( 323) = ( 0.0000000 0.5000000 0.0815630), wk = 0.0027701 k( 324) = ( 0.0000000 0.5000000 0.0932148), wk = 0.0027701 k( 325) = ( 0.0000000 0.5000000 0.1048667), wk = 0.0027701 k( 326) = ( 0.0000000 0.5000000 0.1165185), wk = 0.0027701 k( 327) = ( 0.0000000 0.5000000 0.1281704), wk = 0.0027701 k( 328) = ( 0.0000000 0.5000000 0.1398222), wk = 0.0027701 k( 329) = ( 0.0000000 0.5000000 0.1514741), wk = 0.0027701 k( 330) = ( 0.0000000 0.5000000 0.1631259), wk = 0.0027701 k( 331) = ( 0.0000000 0.5000000 0.1747778), wk = 0.0027701 k( 332) = ( 0.0000000 0.5000000 0.1864296), wk = 0.0027701 k( 333) = ( 0.0000000 0.5000000 0.1980815), wk = 0.0027701 k( 334) = ( 0.0000000 0.5000000 0.2097333), wk = 0.0027701 k( 335) = ( 0.0000000 0.5000000 0.2213852), wk = 0.0027701 k( 336) = ( 0.0000000 0.5000000 0.2330370), wk = 0.0027701 k( 337) = ( 0.0000000 0.5000000 0.2446889), wk = 0.0027701 k( 338) = ( 0.0000000 0.5000000 0.2563408), wk = 0.0027701 k( 339) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 340) = ( 0.5000000 0.5000000 0.0116519), wk = 0.0027701 k( 341) = ( 0.5000000 0.5000000 0.0233037), wk = 0.0027701 k( 342) = ( 0.5000000 0.5000000 0.0349556), wk = 0.0027701 k( 343) = ( 0.5000000 0.5000000 0.0466074), wk = 0.0027701 k( 344) = ( 0.5000000 0.5000000 0.0582593), wk = 0.0027701 k( 345) = ( 0.5000000 0.5000000 0.0699111), wk = 0.0027701 k( 346) = ( 0.5000000 0.5000000 0.0815630), wk = 0.0027701 k( 347) = ( 0.5000000 0.5000000 0.0932148), wk = 0.0027701 k( 348) = ( 0.5000000 0.5000000 0.1048667), wk = 0.0027701 k( 349) = ( 0.5000000 0.5000000 0.1165185), wk = 0.0027701 k( 350) = ( 0.5000000 0.5000000 0.1281704), wk = 0.0027701 k( 351) = ( 0.5000000 0.5000000 0.1398222), wk = 0.0027701 k( 352) = ( 0.5000000 0.5000000 0.1514741), wk = 0.0027701 k( 353) = ( 0.5000000 0.5000000 0.1631259), wk = 0.0027701 k( 354) = ( 0.5000000 0.5000000 0.1747778), wk = 0.0027701 k( 355) = ( 0.5000000 0.5000000 0.1864296), wk = 0.0027701 k( 356) = ( 0.5000000 0.5000000 0.1980815), wk = 0.0027701 k( 357) = ( 0.5000000 0.5000000 0.2097333), wk = 0.0027701 k( 358) = ( 0.5000000 0.5000000 0.2213852), wk = 0.0027701 k( 359) = ( 0.5000000 0.5000000 0.2330370), wk = 0.0027701 k( 360) = ( 0.5000000 0.5000000 0.2446889), wk = 0.0027701 k( 361) = ( 0.5000000 0.5000000 0.2563408), wk = 0.0027701 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0000000 0.0119048 0.0000000), wk = 0.0027701 k( 3) = ( 0.0000000 0.0238095 0.0000000), wk = 0.0027701 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0027701 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0027701 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0027701 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0027701 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0027701 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0027701 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0027701 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0027701 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0027701 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0027701 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0027701 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027701 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0027701 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0027701 k( 18) = ( 0.0000000 0.2023810 0.0000000), wk = 0.0027701 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0027701 k( 20) = ( 0.0000000 0.2261905 0.0000000), wk = 0.0027701 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0027701 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027701 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0027701 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0027701 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0027701 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0027701 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0027701 k( 28) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0027701 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0027701 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0027701 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0027701 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0027701 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0027701 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0027701 k( 35) = ( 0.0000000 0.4047619 0.0000000), wk = 0.0027701 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0027701 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0027701 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0027701 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0027701 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0027701 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0027701 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0027701 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0027701 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0027701 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0027701 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0027701 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0027701 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0027701 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0027701 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0027701 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0027701 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0027701 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0027701 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0027701 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0027701 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027701 k( 59) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0027701 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0027701 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0027701 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0027701 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0027701 k( 64) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0027701 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027701 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0027701 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0027701 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0027701 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0027701 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0027701 k( 71) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0027701 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027701 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0027701 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0027701 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0027701 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0027701 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0027701 k( 78) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0027701 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0027701 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0027701 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0027701 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0027701 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0027701 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0027701 k( 85) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0027701 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027701 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027701 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0027701 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0027701 k( 90) = ( 0.4745763 0.4745763 0.0000000), wk = 0.0027701 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0027701 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0027701 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0027701 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0027701 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0027701 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0027701 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0027701 k( 98) = ( 0.4067797 0.4067797 0.0000000), wk = 0.0027701 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0027701 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0027701 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0027701 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0027701 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0027701 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0027701 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0027701 k( 106) = ( 0.3389831 0.3389831 -0.0000000), wk = 0.0027701 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0027701 k( 108) = ( 0.3220339 0.3220339 0.0000000), wk = 0.0027701 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0027701 k( 110) = ( 0.3050848 0.3050848 -0.0000000), wk = 0.0027701 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0027701 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0027701 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0027701 k( 114) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0027701 k( 115) = ( 0.2627119 0.2627119 0.0000000), wk = 0.0027701 k( 116) = ( 0.2542373 0.2542373 0.0000000), wk = 0.0027701 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0027701 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0027701 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0027701 k( 120) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0027701 k( 121) = ( 0.2118644 0.2118644 0.0000000), wk = 0.0027701 k( 122) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0027701 k( 123) = ( 0.1949153 0.1949153 -0.0000000), wk = 0.0027701 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0027701 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0027701 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0027701 k( 127) = ( 0.1610169 0.1610169 0.0000000), wk = 0.0027701 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0027701 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0027701 k( 130) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0027701 k( 131) = ( 0.1271186 0.1271186 0.0000000), wk = 0.0027701 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0027701 k( 133) = ( 0.1101695 0.1101695 0.0000000), wk = 0.0027701 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0027701 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0027701 k( 136) = ( 0.0847458 0.0847458 0.0000000), wk = 0.0027701 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0027701 k( 138) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0027701 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0027701 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0027701 k( 141) = ( 0.0423729 0.0423729 0.0000000), wk = 0.0027701 k( 142) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0027701 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0027701 k( 144) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0027701 k( 145) = ( 0.0084746 0.0084746 0.0000000), wk = 0.0027701 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 148) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0027701 k( 161) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027701 k( 162) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0027701 k( 163) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027701 k( 164) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0027701 k( 165) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027701 k( 166) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0027701 k( 167) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0027701 k( 168) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0027701 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 171) = ( 0.0000000 0.0119048 0.5000000), wk = 0.0027701 k( 172) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0027701 k( 173) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0027701 k( 174) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0027701 k( 175) = ( 0.0000000 0.0595238 0.5000000), wk = 0.0027701 k( 176) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0027701 k( 177) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0027701 k( 178) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0027701 k( 179) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0027701 k( 180) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0027701 k( 181) = ( 0.0000000 0.1309524 0.5000000), wk = 0.0027701 k( 182) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0027701 k( 183) = ( 0.0000000 0.1547619 0.5000000), wk = 0.0027701 k( 184) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0027701 k( 185) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0027701 k( 186) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0027701 k( 187) = ( 0.0000000 0.2023810 0.5000000), wk = 0.0027701 k( 188) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0027701 k( 189) = ( 0.0000000 0.2261905 0.5000000), wk = 0.0027701 k( 190) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0027701 k( 191) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027701 k( 192) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0027701 k( 193) = ( 0.0000000 0.2738095 0.5000000), wk = 0.0027701 k( 194) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0027701 k( 195) = ( 0.0000000 0.2976190 0.5000000), wk = 0.0027701 k( 196) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0027701 k( 197) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0027701 k( 198) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0027701 k( 199) = ( 0.0000000 0.3452381 0.5000000), wk = 0.0027701 k( 200) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0027701 k( 201) = ( 0.0000000 0.3690476 0.5000000), wk = 0.0027701 k( 202) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0027701 k( 203) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0027701 k( 204) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0027701 k( 205) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0027701 k( 206) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0027701 k( 207) = ( 0.0000000 0.4404762 0.5000000), wk = 0.0027701 k( 208) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0027701 k( 209) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0027701 k( 210) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0027701 k( 211) = ( 0.0000000 0.4880952 0.5000000), wk = 0.0027701 k( 212) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027701 k( 213) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027701 k( 214) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0027701 k( 215) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0027701 k( 216) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0027701 k( 217) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0027701 k( 218) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0027701 k( 219) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0027701 k( 220) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0027701 k( 221) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0027701 k( 222) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0027701 k( 223) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0027701 k( 224) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0027701 k( 225) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0027701 k( 226) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0027701 k( 227) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0027701 k( 228) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0027701 k( 229) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0027701 k( 230) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0027701 k( 231) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0027701 k( 232) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0027701 k( 233) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0027701 k( 234) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027701 k( 235) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0027701 k( 236) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0027701 k( 237) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0027701 k( 238) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0027701 k( 239) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0027701 k( 240) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0027701 k( 241) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0027701 k( 242) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0027701 k( 243) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0027701 k( 244) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0027701 k( 245) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0027701 k( 246) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0027701 k( 247) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0027701 k( 248) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0027701 k( 249) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0027701 k( 250) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0027701 k( 251) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0027701 k( 252) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0027701 k( 253) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0027701 k( 254) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0027701 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 257) = ( 0.4915254 0.4915254 0.5000000), wk = 0.0027701 k( 258) = ( 0.4830508 0.4830508 0.5000000), wk = 0.0027701 k( 259) = ( 0.4745763 0.4745763 0.5000000), wk = 0.0027701 k( 260) = ( 0.4661017 0.4661017 0.5000000), wk = 0.0027701 k( 261) = ( 0.4576271 0.4576271 0.5000000), wk = 0.0027701 k( 262) = ( 0.4491525 0.4491525 0.5000000), wk = 0.0027701 k( 263) = ( 0.4406780 0.4406780 0.5000000), wk = 0.0027701 k( 264) = ( 0.4322034 0.4322034 0.5000000), wk = 0.0027701 k( 265) = ( 0.4237288 0.4237288 0.5000000), wk = 0.0027701 k( 266) = ( 0.4152542 0.4152542 0.5000000), wk = 0.0027701 k( 267) = ( 0.4067797 0.4067797 0.5000000), wk = 0.0027701 k( 268) = ( 0.3983051 0.3983051 0.5000000), wk = 0.0027701 k( 269) = ( 0.3898305 0.3898305 0.5000000), wk = 0.0027701 k( 270) = ( 0.3813559 0.3813559 0.5000000), wk = 0.0027701 k( 271) = ( 0.3728814 0.3728814 0.5000000), wk = 0.0027701 k( 272) = ( 0.3644068 0.3644068 0.5000000), wk = 0.0027701 k( 273) = ( 0.3559322 0.3559322 0.5000000), wk = 0.0027701 k( 274) = ( 0.3474576 0.3474576 0.5000000), wk = 0.0027701 k( 275) = ( 0.3389831 0.3389831 0.5000000), wk = 0.0027701 k( 276) = ( 0.3305085 0.3305085 0.5000000), wk = 0.0027701 k( 277) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0027701 k( 278) = ( 0.3135593 0.3135593 0.5000000), wk = 0.0027701 k( 279) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0027701 k( 280) = ( 0.2966102 0.2966102 0.5000000), wk = 0.0027701 k( 281) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0027701 k( 282) = ( 0.2796610 0.2796610 0.5000000), wk = 0.0027701 k( 283) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0027701 k( 284) = ( 0.2627119 0.2627119 0.5000000), wk = 0.0027701 k( 285) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0027701 k( 286) = ( 0.2457627 0.2457627 0.5000000), wk = 0.0027701 k( 287) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0027701 k( 288) = ( 0.2288136 0.2288136 0.5000000), wk = 0.0027701 k( 289) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0027701 k( 290) = ( 0.2118644 0.2118644 0.5000000), wk = 0.0027701 k( 291) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0027701 k( 292) = ( 0.1949153 0.1949153 0.5000000), wk = 0.0027701 k( 293) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0027701 k( 294) = ( 0.1779661 0.1779661 0.5000000), wk = 0.0027701 k( 295) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0027701 k( 296) = ( 0.1610169 0.1610169 0.5000000), wk = 0.0027701 k( 297) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0027701 k( 298) = ( 0.1440678 0.1440678 0.5000000), wk = 0.0027701 k( 299) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0027701 k( 300) = ( 0.1271186 0.1271186 0.5000000), wk = 0.0027701 k( 301) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0027701 k( 302) = ( 0.1101695 0.1101695 0.5000000), wk = 0.0027701 k( 303) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0027701 k( 304) = ( 0.0932203 0.0932203 0.5000000), wk = 0.0027701 k( 305) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0027701 k( 306) = ( 0.0762712 0.0762712 0.5000000), wk = 0.0027701 k( 307) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0027701 k( 308) = ( 0.0593220 0.0593220 0.5000000), wk = 0.0027701 k( 309) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0027701 k( 310) = ( 0.0423729 0.0423729 0.5000000), wk = 0.0027701 k( 311) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0027701 k( 312) = ( 0.0254237 0.0254237 0.5000000), wk = 0.0027701 k( 313) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0027701 k( 314) = ( 0.0084746 0.0084746 0.5000000), wk = 0.0027701 k( 315) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 316) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 317) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0027701 k( 318) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0027701 k( 319) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0027701 k( 320) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0027701 k( 321) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0027701 k( 322) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0027701 k( 323) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0027701 k( 324) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0027701 k( 325) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0027701 k( 326) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0027701 k( 327) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027701 k( 328) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0027701 k( 329) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0027701 k( 330) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0027701 k( 331) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0027701 k( 332) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0027701 k( 333) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0027701 k( 334) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0027701 k( 335) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0027701 k( 336) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0027701 k( 337) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0027701 k( 338) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027701 k( 339) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027701 k( 340) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0027701 k( 341) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0027701 k( 342) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0027701 k( 343) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0027701 k( 344) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0027701 k( 345) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0027701 k( 346) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0027701 k( 347) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0027701 k( 348) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0027701 k( 349) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0027701 k( 350) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027701 k( 351) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0027701 k( 352) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0027701 k( 353) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0027701 k( 354) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0027701 k( 355) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0027701 k( 356) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0027701 k( 357) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0027701 k( 358) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0027701 k( 359) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0027701 k( 360) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0027701 k( 361) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 Dense grid: 71729 G-vectors FFT dimensions: ( 45, 45, 81) Smooth grid: 30281 G-vectors FFT dimensions: ( 32, 32, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 214, 58) NL pseudopotentials 0.29 Mb ( 107, 180) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 1993) G-vector shells 0.01 Mb ( 1015) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 214, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.32 Mb ( 180, 2, 58) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./CaxBCx2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.2 secs Computing kpt #: 12 total cpu time spent up to now is 11.1 secs Computing kpt #: 13 total cpu time spent up to now is 11.8 secs Computing kpt #: 14 total cpu time spent up to now is 12.5 secs Computing kpt #: 15 total cpu time spent up to now is 13.3 secs Computing kpt #: 16 total cpu time spent up to now is 14.0 secs Computing kpt #: 17 total cpu time spent up to now is 14.7 secs Computing kpt #: 18 total cpu time spent up to now is 15.5 secs Computing kpt #: 19 total cpu time spent up to now is 16.2 secs Computing kpt #: 20 total cpu time spent up to now is 16.8 secs Computing kpt #: 21 total cpu time spent up to now is 17.5 secs Computing kpt #: 22 total cpu time spent up to now is 18.2 secs Computing kpt #: 23 total cpu time spent up to now is 18.9 secs Computing kpt #: 24 total cpu time spent up to now is 19.6 secs Computing kpt #: 25 total cpu time spent up to now is 20.3 secs Computing kpt #: 26 total cpu time spent up to now is 20.9 secs Computing kpt #: 27 total cpu time spent up to now is 21.5 secs Computing kpt #: 28 total cpu time spent up to now is 22.1 secs Computing kpt #: 29 total cpu time spent up to now is 22.7 secs Computing kpt #: 30 total cpu time spent up to now is 23.3 secs Computing kpt #: 31 total cpu time spent up to now is 23.9 secs Computing kpt #: 32 total cpu time spent up to now is 24.5 secs Computing kpt #: 33 total cpu time spent up to now is 25.1 secs Computing kpt #: 34 total cpu time spent up to now is 25.7 secs Computing kpt #: 35 total cpu time spent up to now is 26.3 secs Computing kpt #: 36 total cpu time spent up to now is 27.0 secs Computing kpt #: 37 total cpu time spent up to now is 27.7 secs Computing kpt #: 38 total cpu time spent up to now is 28.4 secs Computing kpt #: 39 total cpu time spent up to now is 29.1 secs Computing kpt #: 40 total cpu time spent up to now is 29.9 secs Computing kpt #: 41 total cpu time spent up to now is 30.8 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 32.3 secs Computing kpt #: 43 total cpu time spent up to now is 33.1 secs Computing kpt #: 44 total cpu time spent up to now is 34.0 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.5 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 37.1 secs Computing kpt #: 47 total cpu time spent up to now is 37.9 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 39.4 secs Computing kpt #: 49 total cpu time spent up to now is 40.3 secs Computing kpt #: 50 total cpu time spent up to now is 41.1 secs Computing kpt #: 51 total cpu time spent up to now is 41.9 secs Computing kpt #: 52 total cpu time spent up to now is 42.6 secs Computing kpt #: 53 total cpu time spent up to now is 43.3 secs Computing kpt #: 54 total cpu time spent up to now is 44.0 secs Computing kpt #: 55 total cpu time spent up to now is 44.7 secs Computing kpt #: 56 total cpu time spent up to now is 45.3 secs Computing kpt #: 57 total cpu time spent up to now is 46.0 secs Computing kpt #: 58 total cpu time spent up to now is 46.7 secs Computing kpt #: 59 total cpu time spent up to now is 47.4 secs Computing kpt #: 60 total cpu time spent up to now is 48.1 secs Computing kpt #: 61 total cpu time spent up to now is 48.8 secs Computing kpt #: 62 total cpu time spent up to now is 49.9 secs Computing kpt #: 63 total cpu time spent up to now is 50.6 secs Computing kpt #: 64 total cpu time spent up to now is 51.3 secs Computing kpt #: 65 total cpu time spent up to now is 52.1 secs Computing kpt #: 66 total cpu time spent up to now is 52.8 secs Computing kpt #: 67 total cpu time spent up to now is 53.5 secs Computing kpt #: 68 total cpu time spent up to now is 54.2 secs Computing kpt #: 69 total cpu time spent up to now is 54.9 secs Computing kpt #: 70 total cpu time spent up to now is 55.7 secs Computing kpt #: 71 total cpu time spent up to now is 56.4 secs Computing kpt #: 72 total cpu time spent up to now is 57.1 secs Computing kpt #: 73 total cpu time spent up to now is 57.9 secs Computing kpt #: 74 total cpu time spent up to now is 58.6 secs Computing kpt #: 75 total cpu time spent up to now is 59.3 secs Computing kpt #: 76 total cpu time spent up to now is 59.9 secs Computing kpt #: 77 total cpu time spent up to now is 60.6 secs Computing kpt #: 78 total cpu time spent up to now is 61.2 secs Computing kpt #: 79 total cpu time spent up to now is 61.9 secs Computing kpt #: 80 total cpu time spent up to now is 62.5 secs Computing kpt #: 81 total cpu time spent up to now is 63.1 secs Computing kpt #: 82 total cpu time spent up to now is 63.6 secs Computing kpt #: 83 total cpu time spent up to now is 64.2 secs Computing kpt #: 84 total cpu time spent up to now is 64.8 secs Computing kpt #: 85 total cpu time spent up to now is 65.5 secs Computing kpt #: 86 total cpu time spent up to now is 66.1 secs Computing kpt #: 87 total cpu time spent up to now is 66.7 secs Computing kpt #: 88 total cpu time spent up to now is 67.3 secs Computing kpt #: 89 total cpu time spent up to now is 67.8 secs Computing kpt #: 90 total cpu time spent up to now is 68.4 secs Computing kpt #: 91 total cpu time spent up to now is 69.0 secs Computing kpt #: 92 total cpu time spent up to now is 69.6 secs Computing kpt #: 93 total cpu time spent up to now is 70.1 secs Computing kpt #: 94 total cpu time spent up to now is 70.7 secs Computing kpt #: 95 total cpu time spent up to now is 71.3 secs Computing kpt #: 96 total cpu time spent up to now is 71.9 secs Computing kpt #: 97 total cpu time spent up to now is 72.5 secs Computing kpt #: 98 total cpu time spent up to now is 73.1 secs Computing kpt #: 99 total cpu time spent up to now is 73.8 secs Computing kpt #: 100 total cpu time spent up to now is 74.5 secs Computing kpt #: 101 total cpu time spent up to now is 75.1 secs Computing kpt #: 102 total cpu time spent up to now is 75.6 secs Computing kpt #: 103 total cpu time spent up to now is 76.2 secs Computing kpt #: 104 total cpu time spent up to now is 76.8 secs Computing kpt #: 105 total cpu time spent up to now is 77.3 secs Computing kpt #: 106 total cpu time spent up to now is 77.8 secs Computing kpt #: 107 total cpu time spent up to now is 78.4 secs Computing kpt #: 108 total cpu time spent up to now is 78.9 secs Computing kpt #: 109 total cpu time spent up to now is 79.4 secs Computing kpt #: 110 total cpu time spent up to now is 79.9 secs Computing kpt #: 111 total cpu time spent up to now is 80.4 secs Computing kpt #: 112 total cpu time spent up to now is 81.0 secs Computing kpt #: 113 total cpu time spent up to now is 81.7 secs Computing kpt #: 114 total cpu time spent up to now is 82.4 secs Computing kpt #: 115 total cpu time spent up to now is 83.0 secs Computing kpt #: 116 total cpu time spent up to now is 83.8 secs Computing kpt #: 117 total cpu time spent up to now is 84.5 secs Computing kpt #: 118 total cpu time spent up to now is 85.5 secs Computing kpt #: 119 total cpu time spent up to now is 86.4 secs Computing kpt #: 120 total cpu time spent up to now is 87.3 secs Computing kpt #: 121 total cpu time spent up to now is 88.0 secs Computing kpt #: 122 total cpu time spent up to now is 88.7 secs Computing kpt #: 123 total cpu time spent up to now is 89.4 secs Computing kpt #: 124 total cpu time spent up to now is 90.2 secs Computing kpt #: 125 total cpu time spent up to now is 90.9 secs Computing kpt #: 126 total cpu time spent up to now is 91.6 secs Computing kpt #: 127 total cpu time spent up to now is 92.4 secs Computing kpt #: 128 total cpu time spent up to now is 93.4 secs Computing kpt #: 129 total cpu time spent up to now is 94.5 secs Computing kpt #: 130 total cpu time spent up to now is 95.2 secs Computing kpt #: 131 total cpu time spent up to now is 96.0 secs Computing kpt #: 132 total cpu time spent up to now is 96.7 secs Computing kpt #: 133 total cpu time spent up to now is 97.7 secs Computing kpt #: 134 total cpu time spent up to now is 98.7 secs Computing kpt #: 135 total cpu time spent up to now is 99.9 secs Computing kpt #: 136 total cpu time spent up to now is 100.7 secs Computing kpt #: 137 total cpu time spent up to now is 101.4 secs Computing kpt #: 138 total cpu time spent up to now is 101.9 secs Computing kpt #: 139 total cpu time spent up to now is 102.5 secs Computing kpt #: 140 total cpu time spent up to now is 103.0 secs Computing kpt #: 141 total cpu time spent up to now is 103.6 secs Computing kpt #: 142 total cpu time spent up to now is 104.1 secs Computing kpt #: 143 total cpu time spent up to now is 104.7 secs Computing kpt #: 144 total cpu time spent up to now is 105.2 secs Computing kpt #: 145 total cpu time spent up to now is 105.7 secs Computing kpt #: 146 total cpu time spent up to now is 106.1 secs Computing kpt #: 147 total cpu time spent up to now is 106.6 secs Computing kpt #: 148 total cpu time spent up to now is 107.2 secs Computing kpt #: 149 total cpu time spent up to now is 107.7 secs Computing kpt #: 150 total cpu time spent up to now is 108.4 secs Computing kpt #: 151 total cpu time spent up to now is 109.1 secs Computing kpt #: 152 total cpu time spent up to now is 109.7 secs Computing kpt #: 153 total cpu time spent up to now is 110.3 secs Computing kpt #: 154 total cpu time spent up to now is 111.0 secs Computing kpt #: 155 total cpu time spent up to now is 111.6 secs Computing kpt #: 156 total cpu time spent up to now is 112.2 secs Computing kpt #: 157 total cpu time spent up to now is 112.8 secs Computing kpt #: 158 total cpu time spent up to now is 113.4 secs Computing kpt #: 159 total cpu time spent up to now is 114.0 secs Computing kpt #: 160 total cpu time spent up to now is 114.6 secs Computing kpt #: 161 total cpu time spent up to now is 115.2 secs Computing kpt #: 162 total cpu time spent up to now is 115.9 secs Computing kpt #: 163 total cpu time spent up to now is 116.5 secs Computing kpt #: 164 total cpu time spent up to now is 117.1 secs Computing kpt #: 165 total cpu time spent up to now is 117.8 secs Computing kpt #: 166 total cpu time spent up to now is 118.6 secs Computing kpt #: 167 total cpu time spent up to now is 119.4 secs Computing kpt #: 168 total cpu time spent up to now is 120.3 secs Computing kpt #: 169 total cpu time spent up to now is 121.2 secs Computing kpt #: 170 total cpu time spent up to now is 122.0 secs Computing kpt #: 171 total cpu time spent up to now is 122.8 secs Computing kpt #: 172 total cpu time spent up to now is 123.5 secs Computing kpt #: 173 total cpu time spent up to now is 124.3 secs Computing kpt #: 174 total cpu time spent up to now is 124.9 secs Computing kpt #: 175 total cpu time spent up to now is 125.6 secs Computing kpt #: 176 total cpu time spent up to now is 126.3 secs Computing kpt #: 177 total cpu time spent up to now is 127.0 secs Computing kpt #: 178 total cpu time spent up to now is 127.7 secs Computing kpt #: 179 total cpu time spent up to now is 128.4 secs Computing kpt #: 180 total cpu time spent up to now is 129.1 secs Computing kpt #: 181 total cpu time spent up to now is 129.8 secs Computing kpt #: 182 total cpu time spent up to now is 130.5 secs Computing kpt #: 183 total cpu time spent up to now is 131.1 secs Computing kpt #: 184 total cpu time spent up to now is 131.8 secs Computing kpt #: 185 total cpu time spent up to now is 132.5 secs Computing kpt #: 186 total cpu time spent up to now is 133.2 secs Computing kpt #: 187 total cpu time spent up to now is 133.9 secs Computing kpt #: 188 total cpu time spent up to now is 134.6 secs Computing kpt #: 189 total cpu time spent up to now is 135.2 secs Computing kpt #: 190 total cpu time spent up to now is 135.9 secs Computing kpt #: 191 total cpu time spent up to now is 136.6 secs Computing kpt #: 192 total cpu time spent up to now is 137.3 secs Computing kpt #: 193 total cpu time spent up to now is 138.0 secs Computing kpt #: 194 total cpu time spent up to now is 138.7 secs Computing kpt #: 195 total cpu time spent up to now is 139.4 secs Computing kpt #: 196 total cpu time spent up to now is 140.2 secs Computing kpt #: 197 total cpu time spent up to now is 141.1 secs Computing kpt #: 198 total cpu time spent up to now is 142.0 secs Computing kpt #: 199 total cpu time spent up to now is 142.8 secs Computing kpt #: 200 total cpu time spent up to now is 143.4 secs Computing kpt #: 201 total cpu time spent up to now is 144.1 secs Computing kpt #: 202 total cpu time spent up to now is 144.6 secs Computing kpt #: 203 total cpu time spent up to now is 145.2 secs Computing kpt #: 204 total cpu time spent up to now is 145.7 secs Computing kpt #: 205 total cpu time spent up to now is 146.3 secs Computing kpt #: 206 total cpu time spent up to now is 146.8 secs Computing kpt #: 207 total cpu time spent up to now is 147.3 secs Computing kpt #: 208 total cpu time spent up to now is 147.9 secs Computing kpt #: 209 total cpu time spent up to now is 148.5 secs Computing kpt #: 210 total cpu time spent up to now is 149.1 secs Computing kpt #: 211 total cpu time spent up to now is 149.7 secs Computing kpt #: 212 total cpu time spent up to now is 150.2 secs Computing kpt #: 213 total cpu time spent up to now is 150.8 secs Computing kpt #: 214 total cpu time spent up to now is 151.3 secs Computing kpt #: 215 total cpu time spent up to now is 151.8 secs Computing kpt #: 216 total cpu time spent up to now is 152.4 secs Computing kpt #: 217 total cpu time spent up to now is 152.9 secs Computing kpt #: 218 total cpu time spent up to now is 153.4 secs Computing kpt #: 219 total cpu time spent up to now is 153.9 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.4 secs Computing kpt #: 221 total cpu time spent up to now is 156.6 secs Computing kpt #: 222 total cpu time spent up to now is 157.6 secs Computing kpt #: 223 total cpu time spent up to now is 158.8 secs Computing kpt #: 224 total cpu time spent up to now is 159.7 secs Computing kpt #: 225 total cpu time spent up to now is 161.0 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 162.5 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.0 secs Computing kpt #: 228 total cpu time spent up to now is 165.3 secs Computing kpt #: 229 total cpu time spent up to now is 166.5 secs Computing kpt #: 230 total cpu time spent up to now is 167.6 secs Computing kpt #: 231 total cpu time spent up to now is 168.6 secs Computing kpt #: 232 total cpu time spent up to now is 169.8 secs Computing kpt #: 233 total cpu time spent up to now is 170.9 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.4 secs Computing kpt #: 235 total cpu time spent up to now is 173.3 secs Computing kpt #: 236 total cpu time spent up to now is 174.2 secs Computing kpt #: 237 total cpu time spent up to now is 175.0 secs Computing kpt #: 238 total cpu time spent up to now is 175.8 secs Computing kpt #: 239 total cpu time spent up to now is 176.5 secs Computing kpt #: 240 total cpu time spent up to now is 177.3 secs Computing kpt #: 241 total cpu time spent up to now is 178.1 secs Computing kpt #: 242 total cpu time spent up to now is 179.1 secs Computing kpt #: 243 total cpu time spent up to now is 180.0 secs Computing kpt #: 244 total cpu time spent up to now is 180.7 secs Computing kpt #: 245 total cpu time spent up to now is 181.4 secs Computing kpt #: 246 total cpu time spent up to now is 182.1 secs Computing kpt #: 247 total cpu time spent up to now is 182.9 secs Computing kpt #: 248 total cpu time spent up to now is 183.7 secs Computing kpt #: 249 total cpu time spent up to now is 184.3 secs Computing kpt #: 250 total cpu time spent up to now is 185.1 secs Computing kpt #: 251 total cpu time spent up to now is 185.8 secs Computing kpt #: 252 total cpu time spent up to now is 186.6 secs Computing kpt #: 253 total cpu time spent up to now is 187.3 secs Computing kpt #: 254 total cpu time spent up to now is 188.0 secs Computing kpt #: 255 total cpu time spent up to now is 188.6 secs Computing kpt #: 256 total cpu time spent up to now is 189.3 secs Computing kpt #: 257 total cpu time spent up to now is 189.9 secs Computing kpt #: 258 total cpu time spent up to now is 190.7 secs Computing kpt #: 259 total cpu time spent up to now is 191.4 secs Computing kpt #: 260 total cpu time spent up to now is 192.2 secs Computing kpt #: 261 total cpu time spent up to now is 193.1 secs Computing kpt #: 262 total cpu time spent up to now is 193.9 secs Computing kpt #: 263 total cpu time spent up to now is 194.7 secs Computing kpt #: 264 total cpu time spent up to now is 195.5 secs Computing kpt #: 265 total cpu time spent up to now is 196.4 secs Computing kpt #: 266 total cpu time spent up to now is 197.2 secs Computing kpt #: 267 total cpu time spent up to now is 198.0 secs Computing kpt #: 268 total cpu time spent up to now is 198.9 secs Computing kpt #: 269 total cpu time spent up to now is 199.9 secs Computing kpt #: 270 total cpu time spent up to now is 200.9 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.4 secs Computing kpt #: 272 total cpu time spent up to now is 203.6 secs Computing kpt #: 273 total cpu time spent up to now is 204.7 secs Computing kpt #: 274 total cpu time spent up to now is 205.8 secs Computing kpt #: 275 total cpu time spent up to now is 206.7 secs Computing kpt #: 276 total cpu time spent up to now is 207.7 secs Computing kpt #: 277 total cpu time spent up to now is 208.6 secs Computing kpt #: 278 total cpu time spent up to now is 209.5 secs Computing kpt #: 279 total cpu time spent up to now is 210.4 secs Computing kpt #: 280 total cpu time spent up to now is 211.4 secs Computing kpt #: 281 total cpu time spent up to now is 212.3 secs Computing kpt #: 282 total cpu time spent up to now is 213.2 secs Computing kpt #: 283 total cpu time spent up to now is 214.1 secs Computing kpt #: 284 total cpu time spent up to now is 215.1 secs Computing kpt #: 285 total cpu time spent up to now is 216.1 secs Computing kpt #: 286 total cpu time spent up to now is 217.0 secs Computing kpt #: 287 total cpu time spent up to now is 218.0 secs Computing kpt #: 288 total cpu time spent up to now is 218.9 secs Computing kpt #: 289 total cpu time spent up to now is 219.9 secs Computing kpt #: 290 total cpu time spent up to now is 220.9 secs Computing kpt #: 291 total cpu time spent up to now is 221.8 secs Computing kpt #: 292 total cpu time spent up to now is 222.8 secs Computing kpt #: 293 total cpu time spent up to now is 223.8 secs Computing kpt #: 294 total cpu time spent up to now is 224.7 secs Computing kpt #: 295 total cpu time spent up to now is 225.6 secs Computing kpt #: 296 total cpu time spent up to now is 226.5 secs Computing kpt #: 297 total cpu time spent up to now is 227.4 secs Computing kpt #: 298 total cpu time spent up to now is 228.3 secs Computing kpt #: 299 total cpu time spent up to now is 229.2 secs Computing kpt #: 300 total cpu time spent up to now is 229.9 secs Computing kpt #: 301 total cpu time spent up to now is 230.8 secs Computing kpt #: 302 total cpu time spent up to now is 231.7 secs Computing kpt #: 303 total cpu time spent up to now is 232.6 secs Computing kpt #: 304 total cpu time spent up to now is 233.4 secs Computing kpt #: 305 total cpu time spent up to now is 234.3 secs Computing kpt #: 306 total cpu time spent up to now is 235.1 secs Computing kpt #: 307 total cpu time spent up to now is 236.0 secs Computing kpt #: 308 total cpu time spent up to now is 236.8 secs Computing kpt #: 309 total cpu time spent up to now is 237.6 secs Computing kpt #: 310 total cpu time spent up to now is 238.5 secs Computing kpt #: 311 total cpu time spent up to now is 239.3 secs Computing kpt #: 312 total cpu time spent up to now is 240.1 secs Computing kpt #: 313 total cpu time spent up to now is 240.9 secs Computing kpt #: 314 total cpu time spent up to now is 241.7 secs Computing kpt #: 315 total cpu time spent up to now is 242.6 secs Computing kpt #: 316 total cpu time spent up to now is 243.4 secs Computing kpt #: 317 total cpu time spent up to now is 244.4 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 246.0 secs Computing kpt #: 319 total cpu time spent up to now is 246.8 secs Computing kpt #: 320 total cpu time spent up to now is 247.5 secs Computing kpt #: 321 total cpu time spent up to now is 248.5 secs Computing kpt #: 322 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 250.0 secs Computing kpt #: 323 total cpu time spent up to now is 250.9 secs Computing kpt #: 324 total cpu time spent up to now is 251.9 secs Computing kpt #: 325 total cpu time spent up to now is 252.7 secs Computing kpt #: 326 total cpu time spent up to now is 253.4 secs Computing kpt #: 327 total cpu time spent up to now is 254.1 secs Computing kpt #: 328 total cpu time spent up to now is 254.7 secs Computing kpt #: 329 total cpu time spent up to now is 255.4 secs Computing kpt #: 330 total cpu time spent up to now is 256.1 secs Computing kpt #: 331 total cpu time spent up to now is 256.7 secs Computing kpt #: 332 total cpu time spent up to now is 257.2 secs Computing kpt #: 333 total cpu time spent up to now is 257.8 secs Computing kpt #: 334 total cpu time spent up to now is 258.4 secs Computing kpt #: 335 total cpu time spent up to now is 258.9 secs Computing kpt #: 336 total cpu time spent up to now is 259.6 secs Computing kpt #: 337 total cpu time spent up to now is 260.1 secs Computing kpt #: 338 total cpu time spent up to now is 260.7 secs Computing kpt #: 339 total cpu time spent up to now is 261.3 secs Computing kpt #: 340 total cpu time spent up to now is 261.8 secs Computing kpt #: 341 total cpu time spent up to now is 262.3 secs Computing kpt #: 342 total cpu time spent up to now is 262.8 secs Computing kpt #: 343 total cpu time spent up to now is 263.4 secs Computing kpt #: 344 total cpu time spent up to now is 263.9 secs Computing kpt #: 345 total cpu time spent up to now is 264.5 secs Computing kpt #: 346 total cpu time spent up to now is 265.0 secs Computing kpt #: 347 total cpu time spent up to now is 265.5 secs Computing kpt #: 348 total cpu time spent up to now is 266.1 secs Computing kpt #: 349 total cpu time spent up to now is 266.7 secs Computing kpt #: 350 total cpu time spent up to now is 267.3 secs Computing kpt #: 351 total cpu time spent up to now is 267.8 secs Computing kpt #: 352 total cpu time spent up to now is 268.4 secs Computing kpt #: 353 total cpu time spent up to now is 268.9 secs Computing kpt #: 354 total cpu time spent up to now is 269.5 secs Computing kpt #: 355 total cpu time spent up to now is 270.1 secs Computing kpt #: 356 total cpu time spent up to now is 270.7 secs Computing kpt #: 357 total cpu time spent up to now is 271.2 secs Computing kpt #: 358 total cpu time spent up to now is 271.7 secs Computing kpt #: 359 total cpu time spent up to now is 272.4 secs Computing kpt #: 360 total cpu time spent up to now is 273.0 secs Computing kpt #: 361 total cpu time spent up to now is 273.6 secs ethr = 2.08E-08, avg # of iterations = 43.3 total cpu time spent up to now is 273.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3775 PWs) bands (ev): -31.0871 -31.0871 -31.0737 -31.0737 -12.5572 -12.5572 -12.3767 -12.3767 -12.1102 -12.1102 -12.0218 -12.0218 -11.9708 -11.9708 -11.9374 -11.9374 -7.0777 -7.0777 -6.5673 -6.5673 -0.8018 -0.8018 -0.7841 -0.7841 0.8546 0.8546 0.8567 0.8567 2.2399 2.2399 2.9389 2.9389 2.9426 2.9426 3.4410 3.4410 3.5769 3.5769 4.1588 4.1588 7.9320 7.9320 8.2620 8.2620 8.7385 8.7385 10.3740 10.3740 10.7860 10.7860 11.6411 11.6411 11.6439 11.6439 12.7559 12.7559 12.7601 12.7601 k = 0.0000 0.0119-0.0000 ( 3775 PWs) bands (ev): -31.0871 -31.0871 -31.0737 -31.0737 -12.5571 -12.5571 -12.3768 -12.3768 -12.1102 -12.1102 -12.0218 -12.0218 -11.9709 -11.9709 -11.9375 -11.9375 -7.0769 -7.0769 -6.5669 -6.5669 -0.8091 -0.8091 -0.7876 -0.7876 0.8563 0.8563 0.8672 0.8672 2.2413 2.2413 2.9138 2.9138 2.9414 2.9414 3.4587 3.4587 3.5874 3.5874 4.1592 4.1592 7.9288 7.9288 8.2581 8.2581 8.7361 8.7361 10.3751 10.3751 10.7703 10.7703 11.6418 11.6418 11.6577 11.6577 12.7547 12.7547 12.7602 12.7603 k = 0.0000 0.0238-0.0000 ( 3771 PWs) bands (ev): -31.0871 -31.0871 -31.0737 -31.0737 -12.5569 -12.5569 -12.3769 -12.3769 -12.1104 -12.1104 -12.0220 -12.0220 -11.9713 -11.9713 -11.9377 -11.9377 -7.0744 -7.0744 -6.5658 -6.5658 -0.8382 -0.8382 -0.7901 -0.7901 0.8583 0.8583 0.9008 0.9008 2.2455 2.2455 2.8450 2.8450 2.9434 2.9434 3.4903 3.4903 3.6282 3.6282 4.1606 4.1606 7.9193 7.9193 8.2465 8.2465 8.7287 8.7287 10.3786 10.3786 10.7265 10.7265 11.6402 11.6402 11.6995 11.6995 12.7488 12.7488 12.7633 12.7633 k = 0.0000 0.0357-0.0000 ( 3767 PWs) bands (ev): -31.0870 -31.0870 -31.0736 -31.0736 -12.5566 -12.5566 -12.3772 -12.3772 -12.1106 -12.1106 -12.0222 -12.0222 -11.9720 -11.9720 -11.9382 -11.9382 -7.0703 -7.0703 -6.5640 -6.5640 -0.8881 -0.8881 -0.7902 -0.7902 0.8616 0.8616 0.9542 0.9542 2.2525 2.2525 2.7536 2.7536 2.9468 2.9468 3.5099 3.5099 3.7060 3.7060 4.1629 4.1629 7.9036 7.9036 8.2274 8.2274 8.7163 8.7163 10.3844 10.3844 10.6619 10.6619 11.6372 11.6372 11.7604 11.7604 12.7385 12.7385 12.7701 12.7701 k = 0.0000 0.0476-0.0000 ( 3771 PWs) bands (ev): -31.0869 -31.0869 -31.0735 -31.0735 -12.5561 -12.5561 -12.3776 -12.3776 -12.1110 -12.1110 -12.0225 -12.0225 -11.9728 -11.9728 -11.9388 -11.9388 -7.0645 -7.0645 -6.5614 -6.5614 -0.9541 -0.9541 -0.7894 -0.7894 0.8661 0.8661 1.0243 1.0243 2.2623 2.2623 2.6514 2.6514 2.9517 2.9517 3.5197 3.5197 3.8065 3.8065 4.1660 4.1660 7.8818 7.8818 8.2010 8.2010 8.6986 8.6986 10.3925 10.3925 10.5840 10.5840 11.6328 11.6328 11.8321 11.8321 12.7249 12.7249 12.7812 12.7812 k = 0.0000 0.0595-0.0000 ( 3767 PWs) bands (ev): -31.0868 -31.0868 -31.0734 -31.0734 -12.5554 -12.5554 -12.3781 -12.3781 -12.1115 -12.1115 -12.0229 -12.0229 -11.9739 -11.9739 -11.9396 -11.9396 -7.0572 -7.0572 -6.5581 -6.5581 -1.0326 -1.0326 -0.7881 -0.7881 0.8719 0.8719 1.1076 1.1076 2.2748 2.2748 2.5441 2.5441 2.9579 2.9579 3.5259 3.5259 3.9181 3.9181 4.1701 4.1701 7.8541 7.8541 8.1677 8.1677 8.6755 8.6755 10.4027 10.4027 10.4984 10.4984 11.6269 11.6269 11.9081 11.9081 12.7091 12.7091 12.7982 12.7982 k = 0.0000 0.0714-0.0000 ( 3763 PWs) bands (ev): -31.0867 -31.0867 -31.0733 -31.0733 -12.5547 -12.5547 -12.3787 -12.3787 -12.1121 -12.1121 -12.0234 -12.0234 -11.9752 -11.9752 -11.9406 -11.9406 -7.0483 -7.0483 -6.5540 -6.5540 -1.1206 -1.1206 -0.7865 -0.7865 0.8790 0.8790 1.2014 1.2014 2.2901 2.2901 2.4346 2.4346 2.9654 2.9654 3.5308 3.5308 4.0353 4.0353 4.1750 4.1750 7.8207 7.8207 8.1280 8.1280 8.6468 8.6468 10.4087 10.4087 10.4153 10.4153 11.6192 11.6192 11.9830 11.9830 12.6921 12.6921 12.8227 12.8227 k = 0.0000 0.0833-0.0000 ( 3765 PWs) bands (ev): -31.0865 -31.0865 -31.0731 -31.0731 -12.5538 -12.5538 -12.3794 -12.3794 -12.1129 -12.1129 -12.0241 -12.0241 -11.9766 -11.9766 -11.9417 -11.9417 -7.0379 -7.0379 -6.5492 -6.5492 -1.2158 -1.2158 -0.7844 -0.7844 0.8873 0.8873 1.3031 1.3031 2.3081 2.3081 2.3244 2.3244 2.9744 2.9744 3.5354 3.5354 4.1554 4.1554 4.1810 4.1810 7.7819 7.7819 8.0824 8.0824 8.6121 8.6121 10.3181 10.3181 10.4296 10.4296 11.6097 11.6097 12.0530 12.0530 12.6747 12.6747 12.8568 12.8568 k = 0.0000 0.0952-0.0000 ( 3769 PWs) bands (ev): -31.0863 -31.0863 -31.0730 -31.0730 -12.5528 -12.5528 -12.3802 -12.3802 -12.1137 -12.1137 -12.0250 -12.0250 -11.9781 -11.9781 -11.9429 -11.9429 -7.0260 -7.0260 -6.5435 -6.5435 -1.3161 -1.3161 -0.7821 -0.7821 0.8968 0.8968 1.4109 1.4109 2.2144 2.2144 2.3288 2.3288 2.9846 2.9846 3.5401 3.5401 4.1873 4.1873 4.2779 4.2779 7.7380 7.7380 8.0314 8.0314 8.5712 8.5712 10.2280 10.2280 10.4460 10.4460 11.5981 11.5981 12.1151 12.1151 12.6582 12.6582 12.9017 12.9017 k = 0.0000 0.1071-0.0000 ( 3769 PWs) bands (ev): -31.0861 -31.0861 -31.0728 -31.0728 -12.5517 -12.5517 -12.3812 -12.3812 -12.1147 -12.1147 -12.0261 -12.0261 -11.9797 -11.9797 -11.9443 -11.9443 -7.0127 -7.0127 -6.5371 -6.5371 -1.4203 -1.4203 -0.7794 -0.7794 0.9075 0.9075 1.5233 1.5233 2.1052 2.1052 2.3521 2.3521 2.9962 2.9962 3.5450 3.5450 4.1948 4.1948 4.4009 4.4009 7.6894 7.6894 7.9757 7.9757 8.5238 8.5238 10.1397 10.1397 10.4642 10.4642 11.5842 11.5842 12.1681 12.1681 12.6432 12.6432 12.9582 12.9583 k = 0.0000 0.1190-0.0000 ( 3769 PWs) bands (ev): -31.0859 -31.0859 -31.0726 -31.0726 -12.5505 -12.5505 -12.3823 -12.3823 -12.1157 -12.1157 -12.0274 -12.0274 -11.9812 -11.9812 -11.9457 -11.9457 -6.9981 -6.9981 -6.5297 -6.5297 -1.5272 -1.5272 -0.7765 -0.7765 0.9193 0.9193 1.6389 1.6389 1.9971 1.9971 2.3781 2.3781 3.0090 3.0090 3.5502 3.5502 4.2030 4.2030 4.5243 4.5243 7.6363 7.6363 7.9157 7.9157 8.4699 8.4699 10.0542 10.0542 10.4840 10.4840 11.5680 11.5680 12.2120 12.2120 12.6306 12.6306 12.9683 12.9683 k = 0.0000 0.1310-0.0000 ( 3767 PWs) bands (ev): -31.0857 -31.0857 -31.0724 -31.0724 -12.5492 -12.5492 -12.3835 -12.3835 -12.1169 -12.1169 -12.0290 -12.0290 -11.9827 -11.9827 -11.9472 -11.9472 -6.9823 -6.9823 -6.5215 -6.5215 -1.6358 -1.6358 -0.7732 -0.7732 0.9322 0.9322 1.7568 1.7568 1.8907 1.8907 2.4066 2.4066 3.0231 3.0231 3.5558 3.5558 4.2121 4.2121 4.6475 4.6475 7.5792 7.5792 7.8522 7.8522 8.4093 8.4093 9.9720 9.9720 10.5055 10.5055 11.5492 11.5492 12.2480 12.2480 12.6210 12.6210 12.9472 12.9472 k = 0.0000 0.1429-0.0000 ( 3771 PWs) bands (ev): -31.0854 -31.0854 -31.0721 -31.0721 -12.5478 -12.5478 -12.3848 -12.3848 -12.1182 -12.1182 -12.0309 -12.0309 -11.9841 -11.9841 -11.9488 -11.9488 -6.9653 -6.9653 -6.5124 -6.5124 -1.7456 -1.7456 -0.7696 -0.7696 0.9462 0.9462 1.7846 1.7846 1.8777 1.8777 2.4376 2.4376 3.0384 3.0384 3.5617 3.5617 4.2220 4.2220 4.7702 4.7702 7.5185 7.5185 7.7855 7.7855 8.3422 8.3422 9.8934 9.8934 10.5284 10.5284 11.5280 11.5280 12.2780 12.2780 12.6149 12.6149 12.9251 12.9251 k = 0.0000 0.1548-0.0000 ( 3777 PWs) bands (ev): -31.0852 -31.0852 -31.0719 -31.0719 -12.5464 -12.5464 -12.3863 -12.3863 -12.1196 -12.1196 -12.0330 -12.0330 -11.9853 -11.9853 -11.9504 -11.9504 -6.9473 -6.9473 -6.5022 -6.5022 -1.8560 -1.8560 -0.7657 -0.7657 0.9613 0.9613 1.6819 1.6819 1.9980 1.9980 2.4711 2.4711 3.0550 3.0550 3.5681 3.5681 4.2326 4.2326 4.8919 4.8919 7.4545 7.4545 7.7163 7.7163 8.2688 8.2688 9.8187 9.8187 10.5524 10.5524 11.5044 11.5044 12.3041 12.3041 12.6126 12.6126 12.9026 12.9026 k = 0.0000 0.1667-0.0000 ( 3771 PWs) bands (ev): -31.0849 -31.0849 -31.0716 -31.0716 -12.5449 -12.5449 -12.3879 -12.3879 -12.1211 -12.1211 -12.0354 -12.0354 -11.9864 -11.9864 -11.9520 -11.9520 -6.9284 -6.9284 -6.4910 -6.4910 -1.9665 -1.9665 -0.7615 -0.7615 0.9772 0.9772 1.5808 1.5808 2.1191 2.1191 2.5070 2.5070 3.0726 3.0726 3.5748 3.5748 4.2440 4.2440 5.0125 5.0125 7.3878 7.3878 7.6450 7.6450 8.1894 8.1894 9.7477 9.7477 10.5775 10.5775 11.4787 11.4787 12.3283 12.3283 12.6143 12.6143 12.8807 12.8807 k = 0.0000 0.1786-0.0000 ( 3775 PWs) bands (ev): -31.0846 -31.0846 -31.0713 -31.0713 -12.5433 -12.5433 -12.3896 -12.3896 -12.1227 -12.1227 -12.0381 -12.0381 -11.9873 -11.9873 -11.9537 -11.9537 -6.9087 -6.9087 -6.4787 -6.4787 -2.0768 -2.0768 -0.7569 -0.7569 0.9941 0.9941 1.4818 1.4818 2.2401 2.2401 2.5452 2.5452 3.0914 3.0914 3.5818 3.5818 4.2560 4.2560 5.1315 5.1315 7.3186 7.3186 7.5721 7.5721 8.1045 8.1045 9.6803 9.6803 10.6035 10.6035 11.4509 11.4509 12.3520 12.3520 12.6201 12.6201 12.8602 12.8602 k = 0.0000 0.1905-0.0000 ( 3775 PWs) bands (ev): -31.0843 -31.0843 -31.0710 -31.0710 -12.5417 -12.5417 -12.3915 -12.3915 -12.1244 -12.1244 -12.0410 -12.0410 -11.9880 -11.9880 -11.9553 -11.9553 -6.8884 -6.8884 -6.4652 -6.4652 -2.1867 -2.1867 -0.7521 -0.7521 1.0119 1.0119 1.3850 1.3850 2.3607 2.3607 2.5856 2.5856 3.1113 3.1113 3.5893 3.5893 4.2688 4.2688 5.2487 5.2487 7.2476 7.2476 7.4980 7.4980 8.0146 8.0146 9.6164 9.6164 10.6301 10.6301 11.4214 11.4214 12.3766 12.3766 12.6299 12.6299 12.8420 12.8420 k = 0.0000 0.2024-0.0000 ( 3767 PWs) bands (ev): -31.0840 -31.0840 -31.0707 -31.0707 -12.5400 -12.5400 -12.3934 -12.3934 -12.1262 -12.1262 -12.0441 -12.0441 -11.9885 -11.9885 -11.9569 -11.9569 -6.8678 -6.8678 -6.4503 -6.4503 -2.2957 -2.2957 -0.7469 -0.7469 1.0304 1.0304 1.2905 1.2905 2.4804 2.4804 2.6281 2.6281 3.1322 3.1322 3.5970 3.5970 4.2823 4.2823 5.3638 5.3638 7.1750 7.1750 7.4231 7.4231 7.9203 7.9203 9.5555 9.5555 10.6572 10.6572 11.3904 11.3904 12.4029 12.4029 12.6438 12.6438 12.8268 12.8268 k = 0.0000 0.2143-0.0000 ( 3775 PWs) bands (ev): -31.0837 -31.0837 -31.0704 -31.0704 -12.5384 -12.5384 -12.3955 -12.3955 -12.1281 -12.1281 -12.0474 -12.0474 -11.9889 -11.9889 -11.9584 -11.9584 -6.8469 -6.8469 -6.4341 -6.4341 -2.4038 -2.4038 -0.7415 -0.7415 1.0496 1.0496 1.1985 1.1985 2.5987 2.5987 2.6727 2.6727 3.1540 3.1540 3.6052 3.6052 4.2964 4.2964 5.4764 5.4764 7.1014 7.1014 7.3477 7.3477 7.8221 7.8221 9.4973 9.4973 10.6846 10.6846 11.3584 11.3584 12.4316 12.4316 12.6615 12.6615 12.8153 12.8153 k = 0.0000 0.2262-0.0000 ( 3779 PWs) bands (ev): -31.0833 -31.0833 -31.0701 -31.0701 -12.5368 -12.5368 -12.3977 -12.3977 -12.1301 -12.1301 -12.0507 -12.0507 -11.9892 -11.9892 -11.9599 -11.9599 -6.8259 -6.8259 -6.4163 -6.4163 -2.5107 -2.5107 -0.7357 -0.7357 1.0694 1.0694 1.1089 1.1089 2.7151 2.7151 2.7195 2.7195 3.1768 3.1768 3.6136 3.6136 4.3112 4.3112 5.5863 5.5863 7.0271 7.0271 7.2722 7.2722 7.7207 7.7207 9.4417 9.4417 10.7122 10.7122 11.3256 11.3256 12.4632 12.4632 12.6829 12.6829 12.8080 12.8080 k = 0.0000 0.2381-0.0000 ( 3779 PWs) bands (ev): -31.0830 -31.0830 -31.0698 -31.0698 -12.5351 -12.5351 -12.4000 -12.4000 -12.1321 -12.1321 -12.0542 -12.0542 -11.9893 -11.9893 -11.9614 -11.9614 -6.8051 -6.8051 -6.3970 -6.3970 -2.6163 -2.6163 -0.7295 -0.7295 1.0220 1.0220 1.0897 1.0897 2.7674 2.7674 2.8300 2.8300 3.2003 3.2003 3.6225 3.6225 4.3267 4.3267 5.6933 5.6933 6.9526 6.9526 7.1969 7.1969 7.6167 7.6167 9.3885 9.3885 10.7398 10.7398 11.2924 11.2924 12.4980 12.4980 12.7079 12.7079 12.8056 12.8056 k = 0.0000 0.2500-0.0000 ( 3767 PWs) bands (ev): -31.0827 -31.0827 -31.0695 -31.0695 -12.5335 -12.5335 -12.4024 -12.4024 -12.1341 -12.1341 -12.0576 -12.0576 -11.9893 -11.9893 -11.9627 -11.9627 -6.7847 -6.7847 -6.3759 -6.3759 -2.7203 -2.7203 -0.7231 -0.7231 0.9377 0.9377 1.1105 1.1105 2.8174 2.8174 2.9421 2.9421 3.2246 3.2246 3.6317 3.6317 4.3428 4.3428 5.7970 5.7970 6.8783 6.8783 7.1220 7.1220 7.5105 7.5105 9.3373 9.3373 10.7673 10.7673 11.2590 11.2590 12.5363 12.5363 12.7362 12.7362 12.8082 12.8082 k = 0.0000 0.2619-0.0000 ( 3771 PWs) bands (ev): -31.0823 -31.0823 -31.0692 -31.0692 -12.5319 -12.5319 -12.4048 -12.4048 -12.1362 -12.1362 -12.0611 -12.0611 -11.9892 -11.9892 -11.9640 -11.9640 -6.7649 -6.7649 -6.3531 -6.3531 -2.8226 -2.8226 -0.7163 -0.7163 0.8562 0.8562 1.1316 1.1316 2.8688 2.8688 3.0512 3.0512 3.2495 3.2495 3.6415 3.6415 4.3595 4.3595 5.8971 5.8971 6.8045 6.8045 7.0478 7.0478 7.4028 7.4028 9.2881 9.2881 10.7946 10.7946 11.2257 11.2257 12.5780 12.5780 12.7676 12.7676 12.8163 12.8163 k = 0.0000 0.2738-0.0000 ( 3772 PWs) bands (ev): -31.0820 -31.0820 -31.0689 -31.0689 -12.5304 -12.5304 -12.4074 -12.4074 -12.1383 -12.1383 -12.0645 -12.0645 -11.9891 -11.9891 -11.9652 -11.9652 -6.7458 -6.7458 -6.3284 -6.3284 -2.9230 -2.9230 -0.7092 -0.7092 0.7775 0.7775 1.1529 1.1529 2.9215 2.9215 3.1569 3.1569 3.2749 3.2749 3.6519 3.6519 4.3769 4.3769 5.9934 5.9934 6.7317 6.7317 6.9746 6.9746 7.2940 7.2940 9.2407 9.2407 10.8216 10.8216 11.1928 11.1928 12.6233 12.6233 12.8020 12.8020 12.8298 12.8298 k = 0.0000 0.2857-0.0000 ( 3774 PWs) bands (ev): -31.0817 -31.0817 -31.0686 -31.0686 -12.5288 -12.5288 -12.4100 -12.4100 -12.1404 -12.1404 -12.0679 -12.0679 -11.9889 -11.9889 -11.9664 -11.9664 -6.7275 -6.7275 -6.3021 -6.3021 -3.0213 -3.0213 -0.7017 -0.7017 0.7016 0.7016 1.1743 1.1743 2.9754 2.9754 3.2583 3.2583 3.3007 3.3007 3.6633 3.6633 4.3951 4.3951 6.0857 6.0857 6.6602 6.6602 6.9027 6.9027 7.1845 7.1845 9.1952 9.1952 10.8483 10.8483 11.1606 11.1606 12.6719 12.6719 12.8393 12.8393 12.8488 12.8488 k = 0.0000 0.2976-0.0000 ( 3774 PWs) bands (ev): -31.0813 -31.0813 -31.0683 -31.0683 -12.5274 -12.5274 -12.4126 -12.4126 -12.1424 -12.1424 -12.0712 -12.0712 -11.9886 -11.9886 -11.9674 -11.9674 -6.7103 -6.7103 -6.2740 -6.2740 -3.1174 -3.1174 -0.6939 -0.6939 0.6287 0.6287 1.1958 1.1958 3.0301 3.0301 3.3269 3.3269 3.3546 3.3546 3.6765 3.6765 4.4139 4.4139 6.1737 6.1737 6.5903 6.5903 6.8323 6.8323 7.0748 7.0748 9.1514 9.1514 10.8746 10.8746 11.1291 11.1291 12.7238 12.7238 12.8732 12.8732 12.8793 12.8793 k = 0.0000 0.3095-0.0000 ( 3776 PWs) bands (ev): -31.0810 -31.0810 -31.0680 -31.0680 -12.5259 -12.5259 -12.4153 -12.4153 -12.1444 -12.1444 -12.0744 -12.0744 -11.9883 -11.9883 -11.9684 -11.9684 -6.6940 -6.6940 -6.2442 -6.2442 -3.2112 -3.2112 -0.6857 -0.6857 0.5587 0.5587 1.2170 1.2170 3.0854 3.0854 3.3532 3.3532 3.4437 3.4437 3.6929 3.6929 4.4336 4.4336 6.2572 6.2572 6.5225 6.5225 6.7637 6.7637 6.9653 6.9653 9.1096 9.1096 10.9007 10.9007 11.0987 11.0987 12.7788 12.7788 12.9030 12.9030 12.9217 12.9217 k = 0.0000 0.3214-0.0000 ( 3774 PWs) bands (ev): -31.0807 -31.0807 -31.0677 -31.0677 -12.5246 -12.5246 -12.4180 -12.4180 -12.1464 -12.1464 -12.0775 -12.0775 -11.9880 -11.9880 -11.9692 -11.9692 -6.6789 -6.6789 -6.2131 -6.2131 -3.3022 -3.3022 -0.6771 -0.6771 0.4918 0.4918 1.2380 1.2380 3.1409 3.1409 3.3795 3.3795 3.5222 3.5222 3.7156 3.7156 4.4541 4.4541 6.3361 6.3361 6.4570 6.4570 6.6971 6.6971 6.8564 6.8564 9.0696 9.0696 10.9263 10.9263 11.0695 11.0695 12.8366 12.8366 12.9377 12.9377 12.9666 12.9666 k = 0.0000 0.3333-0.0000 ( 3778 PWs) bands (ev): -31.0804 -31.0804 -31.0674 -31.0674 -12.5233 -12.5233 -12.4206 -12.4206 -12.1483 -12.1483 -12.0804 -12.0804 -11.9877 -11.9877 -11.9700 -11.9700 -6.6649 -6.6649 -6.1807 -6.1807 -3.3905 -3.3905 -0.6683 -0.6683 0.4280 0.4280 1.2586 1.2586 3.1965 3.1965 3.4056 3.4056 3.5842 3.5842 3.7504 3.7504 4.4755 4.4755 6.3939 6.3939 6.4103 6.4103 6.6327 6.6327 6.7484 6.7484 9.0316 9.0316 10.9516 10.9516 11.0416 11.0416 12.8968 12.8968 12.9770 12.9770 13.0138 13.0138 k = 0.0000 0.3452-0.0000 ( 3778 PWs) bands (ev): -31.0802 -31.0802 -31.0671 -31.0671 -12.5221 -12.5221 -12.4232 -12.4232 -12.1501 -12.1501 -12.0831 -12.0831 -11.9873 -11.9873 -11.9707 -11.9707 -6.6519 -6.6519 -6.1473 -6.1473 -3.4756 -3.4756 -0.6591 -0.6591 0.3674 0.3674 1.2787 1.2787 3.2516 3.2516 3.4314 3.4314 3.6257 3.6257 3.8007 3.8007 4.4980 4.4980 6.3340 6.3340 6.4793 6.4793 6.5710 6.5710 6.6417 6.6417 8.9956 8.9956 10.9764 10.9764 11.0151 11.0151 12.9591 12.9591 13.0204 13.0204 13.0632 13.0632 k = 0.0000 0.3571-0.0000 ( 3790 PWs) bands (ev): -31.0799 -31.0799 -31.0669 -31.0669 -12.5210 -12.5210 -12.4258 -12.4258 -12.1519 -12.1519 -12.0856 -12.0856 -11.9870 -11.9870 -11.9713 -11.9713 -6.6401 -6.6401 -6.1133 -6.1133 -3.5573 -3.5573 -0.6495 -0.6495 0.3101 0.3101 1.2980 1.2980 3.3059 3.3059 3.4566 3.4566 3.6512 3.6512 3.8617 3.8617 4.5216 4.5216 6.2772 6.2772 6.5121 6.5121 6.5367 6.5367 6.5434 6.5434 8.9618 8.9618 10.9902 10.9902 11.0007 11.0007 13.0231 13.0231 13.0673 13.0673 13.1146 13.1146 k = 0.0000 0.3690-0.0000 ( 3790 PWs) bands (ev): -31.0796 -31.0796 -31.0667 -31.0667 -12.5200 -12.5200 -12.4282 -12.4282 -12.1535 -12.1535 -12.0880 -12.0880 -11.9867 -11.9867 -11.9719 -11.9719 -6.6294 -6.6294 -6.0790 -6.0790 -3.6353 -3.6353 -0.6398 -0.6398 0.2562 0.2562 1.3166 1.3166 3.3588 3.3588 3.4811 3.4811 3.6680 3.6680 3.9259 3.9259 4.5464 4.5464 6.2238 6.2238 6.4340 6.4340 6.4565 6.4565 6.6023 6.6023 8.9302 8.9302 10.9669 10.9669 11.0243 11.0243 13.0882 13.0882 13.1173 13.1173 13.1680 13.1680 k = 0.0000 0.3810-0.0000 ( 3788 PWs) bands (ev): -31.0794 -31.0794 -31.0664 -31.0664 -12.5190 -12.5190 -12.4305 -12.4305 -12.1550 -12.1550 -12.0902 -12.0902 -11.9864 -11.9864 -11.9724 -11.9724 -6.6197 -6.6197 -6.0447 -6.0447 -3.7093 -3.7093 -0.6298 -0.6298 0.2057 0.2057 1.3341 1.3341 3.4098 3.4098 3.5046 3.5046 3.6801 3.6801 3.9888 3.9888 4.5725 4.5725 6.1742 6.1742 6.3340 6.3340 6.4042 6.4042 6.6561 6.6561 8.9010 8.9010 10.9455 10.9455 11.0471 11.0471 13.1539 13.1539 13.1695 13.1695 13.2233 13.2233 k = 0.0000 0.3929-0.0000 ( 3784 PWs) bands (ev): -31.0792 -31.0792 -31.0662 -31.0662 -12.5181 -12.5181 -12.4327 -12.4327 -12.1564 -12.1564 -12.0921 -12.0921 -11.9860 -11.9860 -11.9728 -11.9728 -6.6110 -6.6110 -6.0111 -6.0111 -3.7787 -3.7787 -0.6196 -0.6196 0.1588 0.1588 1.3505 1.3505 3.4584 3.4584 3.5269 3.5269 3.6897 3.6897 4.0481 4.0481 4.5999 4.5999 6.1285 6.1285 6.2372 6.2372 6.3557 6.3557 6.7047 6.7047 8.8742 8.8742 10.9259 10.9259 11.0689 11.0689 13.2194 13.2194 13.2233 13.2233 13.2804 13.2804 k = 0.0000 0.4048-0.0000 ( 3792 PWs) bands (ev): -31.0790 -31.0790 -31.0660 -31.0660 -12.5174 -12.5174 -12.4347 -12.4347 -12.1576 -12.1576 -12.0939 -12.0939 -11.9858 -11.9858 -11.9732 -11.9732 -6.6033 -6.6033 -5.9785 -5.9785 -3.8432 -3.8432 -0.6095 -0.6095 0.1156 0.1156 1.3656 1.3656 3.5040 3.5040 3.5477 3.5477 3.6976 3.6976 4.1026 4.1026 4.6285 4.6285 6.0869 6.0869 6.1445 6.1445 6.3112 6.3112 6.7481 6.7481 8.8500 8.8500 10.9081 10.9081 11.0895 11.0895 13.2776 13.2776 13.2840 13.2840 13.3392 13.3392 k = 0.0000 0.4167-0.0000 ( 3796 PWs) bands (ev): -31.0788 -31.0788 -31.0659 -31.0659 -12.5167 -12.5167 -12.4366 -12.4366 -12.1588 -12.1588 -12.0954 -12.0954 -11.9855 -11.9855 -11.9735 -11.9735 -6.5965 -6.5965 -5.9476 -5.9476 -3.9022 -3.9022 -0.5995 -0.5995 0.0764 0.0764 1.3793 1.3793 3.5459 3.5459 3.5669 3.5669 3.7042 3.7042 4.1517 4.1517 4.6582 4.6582 6.0498 6.0498 6.0565 6.0565 6.2711 6.2711 6.7862 6.7862 8.8283 8.8283 10.8923 10.8923 11.1086 11.1086 13.3318 13.3318 13.3466 13.3466 13.3995 13.3995 k = 0.0000 0.4286-0.0000 ( 3806 PWs) bands (ev): -31.0787 -31.0787 -31.0657 -31.0657 -12.5161 -12.5161 -12.4382 -12.4382 -12.1598 -12.1598 -12.0968 -12.0968 -11.9853 -11.9853 -11.9738 -11.9738 -6.5907 -6.5907 -5.9189 -5.9189 -3.9551 -3.9551 -0.5899 -0.5899 0.0414 0.0414 1.3915 1.3915 3.5834 3.5834 3.5843 3.5843 3.7098 3.7098 4.1950 4.1950 4.6884 4.6884 5.9743 5.9743 6.0172 6.0172 6.2356 6.2356 6.8192 6.8192 8.8094 8.8094 10.8786 10.8786 11.1258 11.1258 13.3846 13.3846 13.4061 13.4061 13.4614 13.4614 k = 0.0000 0.4405-0.0000 ( 3790 PWs) bands (ev): -31.0785 -31.0785 -31.0656 -31.0656 -12.5156 -12.5156 -12.4396 -12.4396 -12.1606 -12.1606 -12.0979 -12.0979 -11.9851 -11.9851 -11.9740 -11.9740 -6.5858 -6.5858 -5.8930 -5.8930 -4.0014 -4.0014 -0.5809 -0.5809 0.0108 0.0108 1.4020 1.4020 3.5991 3.5991 3.6165 3.6165 3.7144 3.7144 4.2320 4.2320 4.7184 4.7184 5.8994 5.8994 5.9893 5.9893 6.2050 6.2050 6.8470 6.8470 8.7933 8.7933 10.8668 10.8668 11.1410 11.1410 13.4349 13.4349 13.4611 13.4611 13.5247 13.5247 k = 0.0000 0.4524-0.0000 ( 3792 PWs) bands (ev): -31.0784 -31.0784 -31.0655 -31.0655 -12.5152 -12.5152 -12.4408 -12.4408 -12.1613 -12.1613 -12.0988 -12.0988 -11.9849 -11.9849 -11.9742 -11.9742 -6.5819 -6.5819 -5.8707 -5.8707 -4.0404 -4.0404 -0.5728 -0.5728 -0.0149 -0.0149 1.4107 1.4107 3.6118 3.6118 3.6441 3.6441 3.7181 3.7181 4.2625 4.2625 4.7470 4.7470 5.8333 5.8333 5.9663 5.9663 6.1796 6.1796 6.8698 6.8698 8.7800 8.7800 10.8572 10.8572 11.1539 11.1539 13.4813 13.4813 13.5099 13.5099 13.5893 13.5893 k = 0.0000 0.4643-0.0000 ( 3790 PWs) bands (ev): -31.0783 -31.0783 -31.0654 -31.0654 -12.5148 -12.5148 -12.4417 -12.4417 -12.1618 -12.1618 -12.0996 -12.0996 -11.9848 -11.9848 -11.9743 -11.9743 -6.5788 -6.5788 -5.8526 -5.8526 -4.0715 -4.0715 -0.5660 -0.5660 -0.0355 -0.0355 1.4176 1.4176 3.6218 3.6218 3.6661 3.6661 3.7210 3.7210 4.2865 4.2865 4.7726 4.7726 5.7781 5.7781 5.9483 5.9483 6.1596 6.1596 6.8874 6.8874 8.7696 8.7696 10.8497 10.8497 11.1642 11.1642 13.5222 13.5222 13.5508 13.5508 13.6550 13.6550 k = 0.0000 0.4762-0.0000 ( 3792 PWs) bands (ev): -31.0783 -31.0783 -31.0654 -31.0654 -12.5146 -12.5146 -12.4424 -12.4424 -12.1622 -12.1622 -12.1001 -12.1001 -11.9847 -11.9847 -11.9744 -11.9744 -6.5766 -6.5766 -5.8392 -5.8392 -4.0942 -4.0942 -0.5608 -0.5608 -0.0506 -0.0506 1.4226 1.4226 3.6291 3.6291 3.6820 3.6820 3.7231 3.7231 4.3037 4.3037 4.7933 4.7933 5.7361 5.7361 5.9353 5.9353 6.1451 6.1451 6.9000 6.9000 8.7621 8.7621 10.8443 10.8443 11.1718 11.1718 13.5551 13.5551 13.5818 13.5818 13.7215 13.7215 k = 0.0000 0.4881-0.0000 ( 3792 PWs) bands (ev): -31.0782 -31.0782 -31.0653 -31.0653 -12.5145 -12.5145 -12.4428 -12.4428 -12.1625 -12.1625 -12.1004 -12.1004 -11.9846 -11.9846 -11.9744 -11.9744 -6.5753 -6.5753 -5.8309 -5.8309 -4.1080 -4.1080 -0.5575 -0.5575 -0.0598 -0.0598 1.4256 1.4256 3.6335 3.6335 3.6916 3.6916 3.7243 3.7243 4.3141 4.3141 4.8068 4.8068 5.7097 5.7097 5.9276 5.9276 6.1364 6.1364 6.9075 6.9075 8.7576 8.7576 10.8411 10.8411 11.1763 11.1763 13.5771 13.5771 13.6012 13.6012 13.7877 13.7882 k = 0.0000 0.5000-0.0000 ( 3792 PWs) bands (ev): -31.0782 -31.0782 -31.0653 -31.0653 -12.5144 -12.5144 -12.4429 -12.4429 -12.1625 -12.1625 -12.1005 -12.1005 -11.9846 -11.9846 -11.9744 -11.9744 -6.5748 -6.5748 -5.8281 -5.8281 -4.1126 -4.1126 -0.5564 -0.5564 -0.0629 -0.0629 1.4266 1.4266 3.6350 3.6350 3.6948 3.6948 3.7247 3.7247 4.3175 4.3175 4.8115 4.8115 5.7007 5.7007 5.9250 5.9250 6.1335 6.1335 6.9100 6.9100 8.7561 8.7561 10.8400 10.8400 11.1779 11.1779 13.5850 13.5850 13.6078 13.6078 13.7896 13.7896 k = 0.0000 0.5000-0.0000 ( 3792 PWs) bands (ev): -31.0782 -31.0782 -31.0653 -31.0653 -12.5144 -12.5144 -12.4429 -12.4429 -12.1625 -12.1625 -12.1005 -12.1005 -11.9846 -11.9846 -11.9744 -11.9744 -6.5748 -6.5748 -5.8281 -5.8281 -4.1126 -4.1126 -0.5564 -0.5564 -0.0629 -0.0629 1.4266 1.4266 3.6350 3.6350 3.6948 3.6948 3.7247 3.7247 4.3175 4.3175 4.8115 4.8115 5.7007 5.7007 5.9250 5.9250 6.1335 6.1335 6.9100 6.9100 8.7561 8.7561 10.8400 10.8400 11.1779 11.1779 13.5850 13.5850 13.6078 13.6078 13.7896 13.7896 k = 0.0119 0.5000-0.0000 ( 3792 PWs) bands (ev): -31.0782 -31.0782 -31.0653 -31.0653 -12.5144 -12.5144 -12.4430 -12.4430 -12.1625 -12.1625 -12.1005 -12.1005 -11.9848 -11.9848 -11.9746 -11.9746 -6.5740 -6.5740 -5.8279 -5.8279 -4.1122 -4.1122 -0.5659 -0.5659 -0.0620 -0.0620 1.4368 1.4368 3.6312 3.6312 3.6959 3.6959 3.7168 3.7168 4.3203 4.3203 4.8122 4.8122 5.7017 5.7017 5.9083 5.9083 6.1430 6.1430 6.9270 6.9270 8.7554 8.7554 10.8294 10.8294 11.1806 11.1806 13.5815 13.5815 13.6127 13.6127 13.7912 13.7912 k = 0.0238 0.5000-0.0000 ( 3792 PWs) bands (ev): -31.0782 -31.0782 -31.0653 -31.0653 -12.5143 -12.5143 -12.4430 -12.4430 -12.1624 -12.1624 -12.1004 -12.1004 -11.9853 -11.9853 -11.9750 -11.9750 -6.5716 -6.5716 -5.8271 -5.8271 -4.1109 -4.1109 -0.5936 -0.5936 -0.0595 -0.0595 1.4668 1.4668 3.6201 3.6201 3.6936 3.6936 3.6992 3.6992 4.3283 4.3283 4.8144 4.8144 5.7046 5.7046 5.8612 5.8612 6.1713 6.1713 6.9750 6.9750 8.7531 8.7531 10.7981 10.7981 11.1887 11.1887 13.5711 13.5711 13.6149 13.6149 13.7959 13.7999 k = 0.0357 0.5000-0.0000 ( 3788 PWs) bands (ev): -31.0781 -31.0781 -31.0652 -31.0652 -12.5141 -12.5141 -12.4430 -12.4430 -12.1623 -12.1623 -12.1004 -12.1004 -11.9861 -11.9861 -11.9757 -11.9757 -6.5675 -6.5675 -5.8258 -5.8258 -4.1087 -4.1087 -0.6382 -0.6382 -0.0553 -0.0553 1.5148 1.5148 3.6022 3.6022 3.6560 3.6560 3.7047 3.7047 4.3410 4.3410 4.8181 4.8181 5.7095 5.7095 5.7910 5.7910 6.2172 6.2172 7.0469 7.0469 8.7495 8.7495 10.7477 10.7477 11.2022 11.2022 13.5542 13.5542 13.5667 13.5667 13.7917 13.7917 k = 0.0476 0.5000-0.0000 ( 3784 PWs) bands (ev): -31.0780 -31.0780 -31.0651 -31.0651 -12.5138 -12.5138 -12.4430 -12.4430 -12.1621 -12.1621 -12.1003 -12.1003 -11.9873 -11.9873 -11.9767 -11.9767 -6.5617 -6.5617 -5.8240 -5.8240 -4.1057 -4.1057 -0.6972 -0.6972 -0.0495 -0.0495 1.5788 1.5788 3.5782 3.5782 3.6057 3.6057 3.7123 3.7123 4.3578 4.3578 4.8232 4.8232 5.7045 5.7045 5.7165 5.7165 6.2791 6.2791 7.1356 7.1356 8.7444 8.7444 10.6804 10.6804 11.2210 11.2210 13.4590 13.4590 13.5312 13.5312 13.8153 13.8155 k = 0.0595 0.5000-0.0000 ( 3788 PWs) bands (ev): -31.0779 -31.0779 -31.0650 -31.0650 -12.5135 -12.5135 -12.4431 -12.4431 -12.1618 -12.1618 -12.1003 -12.1003 -11.9889 -11.9889 -11.9779 -11.9779 -6.5544 -6.5544 -5.8217 -5.8217 -4.1018 -4.1018 -0.7683 -0.7683 -0.0420 -0.0420 1.6562 1.6562 3.5439 3.5439 3.5498 3.5498 3.7221 3.7221 4.3776 4.3776 4.8297 4.8297 5.6075 5.6075 5.7252 5.7252 6.3552 6.3552 7.2356 7.2356 8.7381 8.7381 10.5986 10.5986 11.2450 11.2450 13.3265 13.3265 13.5027 13.5027 13.8297 13.8297 k = 0.0714 0.5000-0.0000 ( 3784 PWs) bands (ev): -31.0778 -31.0778 -31.0649 -31.0649 -12.5131 -12.5131 -12.4432 -12.4432 -12.1615 -12.1615 -12.1002 -12.1002 -11.9907 -11.9907 -11.9795 -11.9795 -6.5454 -6.5454 -5.8189 -5.8189 -4.0972 -4.0972 -0.8491 -0.8491 -0.0328 -0.0328 1.7446 1.7446 3.4742 3.4742 3.5161 3.5161 3.7340 3.7340 4.3997 4.3997 4.8375 4.8375 5.5037 5.5037 5.7359 5.7359 6.4435 6.4435 7.3432 7.3432 8.7307 8.7307 10.5050 10.5050 11.2742 11.2742 13.1836 13.1836 13.4693 13.4693 13.8468 13.8468 k = 0.0833 0.5000-0.0000 ( 3776 PWs) bands (ev): -31.0776 -31.0776 -31.0648 -31.0648 -12.5126 -12.5126 -12.4433 -12.4433 -12.1611 -12.1611 -12.1001 -12.1001 -11.9927 -11.9927 -11.9812 -11.9812 -6.5348 -6.5348 -5.8157 -5.8157 -4.0916 -4.0916 -0.9376 -0.9376 -0.0220 -0.0220 1.8419 1.8419 3.3968 3.3968 3.4793 3.4793 3.7481 3.7481 4.4232 4.4232 4.8466 4.8466 5.3955 5.3955 5.7485 5.7485 6.5424 6.5424 7.4559 7.4559 8.7222 8.7222 10.4018 10.4018 11.3085 11.3085 13.0354 13.0354 13.4318 13.4318 13.8664 13.8664 k = 0.0952 0.5000-0.0000 ( 3772 PWs) bands (ev): -31.0774 -31.0774 -31.0646 -31.0646 -12.5121 -12.5121 -12.4435 -12.4435 -12.1607 -12.1607 -12.1000 -12.1000 -11.9950 -11.9950 -11.9832 -11.9832 -6.5227 -6.5227 -5.8120 -5.8120 -4.0854 -4.0854 -1.0319 -1.0319 -0.0094 -0.0094 1.9463 1.9463 3.3138 3.3138 3.4397 3.4397 3.7644 3.7644 4.4475 4.4475 4.8569 4.8569 5.2849 5.2849 5.7629 5.7629 6.6501 6.6501 7.5721 7.5721 8.7129 8.7129 10.2911 10.2911 11.3477 11.3477 12.8842 12.8842 13.3906 13.3906 13.8882 13.8882 k = 0.1071 0.5000-0.0000 ( 3776 PWs) bands (ev): -31.0773 -31.0773 -31.0644 -31.0644 -12.5115 -12.5115 -12.4437 -12.4437 -12.1603 -12.1603 -12.1000 -12.1000 -11.9976 -11.9976 -11.9854 -11.9854 -6.5089 -6.5089 -5.8079 -5.8079 -4.0783 -4.0783 -1.1306 -1.1306 0.0048 0.0048 2.0562 2.0562 3.2266 3.2266 3.3978 3.3978 3.7829 3.7829 4.4718 4.4718 4.8683 4.8683 5.1730 5.1730 5.7792 5.7792 6.7652 6.7652 7.6906 7.6906 8.7029 8.7029 10.1748 10.1748 11.3918 11.3918 12.7312 12.7312 13.3464 13.3464 13.9121 13.9121 k = 0.1190 0.5000-0.0000 ( 3780 PWs) bands (ev): -31.0771 -31.0771 -31.0642 -31.0642 -12.5109 -12.5109 -12.4439 -12.4439 -12.1598 -12.1598 -12.1000 -12.1000 -12.0004 -12.0004 -11.9879 -11.9879 -6.4936 -6.4936 -5.8034 -5.8034 -4.0705 -4.0705 -1.2327 -1.2327 0.0206 0.0206 2.1703 2.1703 3.1364 3.1364 3.3542 3.3542 3.8034 3.8034 4.4953 4.4953 4.8807 4.8807 5.0613 5.0613 5.7971 5.7971 6.8866 6.8866 7.8107 7.8107 8.6924 8.6924 10.0543 10.0543 11.4405 11.4405 12.5773 12.5773 13.2997 13.2997 13.9376 13.9376 k = 0.1310 0.5000-0.0000 ( 3784 PWs) bands (ev): -31.0768 -31.0768 -31.0640 -31.0640 -12.5103 -12.5103 -12.4441 -12.4441 -12.1593 -12.1593 -12.1000 -12.1000 -12.0033 -12.0033 -11.9906 -11.9906 -6.4767 -6.4767 -5.7985 -5.7985 -4.0620 -4.0620 -1.3370 -1.3370 0.0382 0.0382 2.2876 2.2876 3.0443 3.0443 3.3093 3.3093 3.8262 3.8262 4.5165 4.5165 4.8941 4.8941 4.9514 4.9514 5.8167 5.8167 7.0132 7.0132 7.9318 7.9318 8.6817 8.6817 9.9308 9.9308 11.4939 11.4939 12.4231 12.4231 13.2509 13.2509 13.9644 13.9644 k = 0.1429 0.5000-0.0000 ( 3780 PWs) bands (ev): -31.0766 -31.0766 -31.0638 -31.0638 -12.5096 -12.5096 -12.4444 -12.4444 -12.1588 -12.1588 -12.1001 -12.1001 -12.0063 -12.0063 -11.9933 -11.9933 -6.4583 -6.4583 -5.7933 -5.7933 -4.0528 -4.0528 -1.4430 -1.4430 0.0575 0.0575 2.4068 2.4068 2.9514 2.9514 3.2633 3.2633 3.8510 3.8510 4.5323 4.5323 4.8463 4.8463 4.9085 4.9085 5.8379 5.8379 7.1441 7.1441 8.0535 8.0535 8.6708 8.6708 9.8054 9.8054 11.5516 11.5516 12.2689 12.2689 13.2006 13.2006 13.9921 13.9921 k = 0.1548 0.5000-0.0000 ( 3788 PWs) bands (ev): -31.0763 -31.0763 -31.0635 -31.0635 -12.5088 -12.5088 -12.4448 -12.4448 -12.1582 -12.1582 -12.1003 -12.1003 -12.0094 -12.0094 -11.9963 -11.9963 -6.4384 -6.4384 -5.7878 -5.7878 -4.0431 -4.0431 -1.5499 -1.5499 0.0785 0.0785 2.5262 2.5262 2.8596 2.8596 3.2165 3.2165 3.8780 3.8780 4.5339 4.5339 4.7555 4.7555 4.9234 4.9234 5.8606 5.8606 7.2787 7.2787 8.1753 8.1753 8.6599 8.6599 9.6791 9.6791 11.6135 11.6135 12.1151 12.1151 13.1489 13.1489 14.0204 14.0204 k = 0.1667 0.5000-0.0000 ( 3788 PWs) bands (ev): -31.0761 -31.0761 -31.0633 -31.0633 -12.5081 -12.5081 -12.4452 -12.4452 -12.1576 -12.1576 -12.1005 -12.1005 -12.0126 -12.0126 -11.9994 -11.9994 -6.4170 -6.4170 -5.7821 -5.7821 -4.0326 -4.0326 -1.6572 -1.6572 0.1011 0.1011 2.6372 2.6372 2.7773 2.7773 3.1693 3.1693 3.9070 3.9070 4.5003 4.5003 4.6998 4.6998 4.9390 4.9390 5.8846 5.8846 7.4162 7.4162 8.2969 8.2969 8.6494 8.6494 9.5525 9.5525 11.6795 11.6795 11.9619 11.9619 13.0962 13.0962 14.0488 14.0488 k = 0.1786 0.5000-0.0000 ( 3784 PWs) bands (ev): -31.0758 -31.0758 -31.0630 -31.0630 -12.5073 -12.5073 -12.4456 -12.4456 -12.1570 -12.1570 -12.1008 -12.1008 -12.0157 -12.0157 -12.0026 -12.0026 -6.3941 -6.3941 -5.7760 -5.7760 -4.0217 -4.0217 -1.7646 -1.7646 0.1255 0.1255 2.6454 2.6454 2.7989 2.7989 3.1217 3.1217 3.9382 3.9382 4.4235 4.4235 4.6876 4.6876 4.9551 4.9551 5.9099 5.9099 7.5560 7.5560 8.4182 8.4182 8.6392 8.6392 9.4264 9.4264 11.7493 11.7493 11.8096 11.8096 13.0427 13.0427 14.0769 14.0769 k = 0.1905 0.5000-0.0000 ( 3784 PWs) bands (ev): -31.0755 -31.0755 -31.0627 -31.0627 -12.5065 -12.5065 -12.4462 -12.4462 -12.1563 -12.1563 -12.1013 -12.1013 -12.0189 -12.0189 -12.0058 -12.0058 -6.3698 -6.3698 -5.7698 -5.7698 -4.0103 -4.0103 -1.8717 -1.8717 0.1515 0.1515 2.5625 2.5625 2.9127 2.9127 3.0740 3.0740 3.9714 3.9714 4.3257 4.3257 4.6967 4.6967 4.9716 4.9716 5.9362 5.9362 7.6978 7.6978 8.5388 8.5388 8.6297 8.6297 9.3014 9.3014 11.6582 11.6582 11.8229 11.8229 12.9888 12.9888 14.1043 14.1043 k = 0.2024 0.5000-0.0000 ( 3782 PWs) bands (ev): -31.0752 -31.0752 -31.0624 -31.0624 -12.5057 -12.5057 -12.4467 -12.4467 -12.1557 -12.1557 -12.1018 -12.1018 -12.0219 -12.0219 -12.0092 -12.0092 -6.3442 -6.3442 -5.7634 -5.7634 -3.9984 -3.9984 -1.9781 -1.9781 0.1793 0.1793 2.4729 2.4729 3.0264 3.0264 3.0341 3.0341 4.0067 4.0067 4.2211 4.2211 4.7128 4.7128 4.9883 4.9883 5.9634 5.9634 7.8410 7.8410 8.6209 8.6209 8.6586 8.6586 9.1780 9.1780 11.5081 11.5081 11.9000 11.9000 12.9345 12.9345 14.1307 14.1307 k = 0.2143 0.5000-0.0000 ( 3786 PWs) bands (ev): -31.0749 -31.0749 -31.0621 -31.0621 -12.5050 -12.5050 -12.4473 -12.4473 -12.1552 -12.1552 -12.1025 -12.1025 -12.0248 -12.0248 -12.0126 -12.0126 -6.3173 -6.3173 -5.7569 -5.7569 -3.9861 -3.9861 -2.0836 -2.0836 0.2087 0.2087 2.3832 2.3832 2.9788 2.9788 3.1565 3.1565 4.0441 4.0441 4.1147 4.1147 4.7314 4.7314 5.0052 5.0052 5.9912 5.9912 7.9852 7.9852 8.6130 8.6130 8.7773 8.7773 9.0567 9.0567 11.3593 11.3593 11.9805 11.9805 12.8799 12.8799 14.1554 14.1554 k = 0.2262 0.5000-0.0000 ( 3782 PWs) bands (ev): -31.0745 -31.0745 -31.0618 -31.0618 -12.5042 -12.5042 -12.4480 -12.4480 -12.1546 -12.1546 -12.1033 -12.1033 -12.0275 -12.0275 -12.0159 -12.0159 -6.2890 -6.2890 -5.7503 -5.7503 -3.9736 -3.9736 -2.1880 -2.1880 0.2398 0.2398 2.2949 2.2949 2.9315 2.9315 3.2783 3.2783 4.0083 4.0083 4.0835 4.0835 4.7507 4.7507 5.0220 5.0220 6.0194 6.0194 8.1300 8.1300 8.6060 8.6060 8.8946 8.8946 8.9382 8.9382 11.2121 11.2121 12.0640 12.0640 12.8253 12.8253 14.1780 14.1780 k = 0.2381 0.5000-0.0000 ( 3790 PWs) bands (ev): -31.0742 -31.0742 -31.0615 -31.0615 -12.5035 -12.5035 -12.4488 -12.4488 -12.1540 -12.1540 -12.1044 -12.1044 -12.0301 -12.0301 -12.0193 -12.0193 -6.2596 -6.2596 -5.7437 -5.7437 -3.9608 -3.9608 -2.2910 -2.2910 0.2726 0.2726 2.2084 2.2084 2.8844 2.8844 3.3989 3.3989 3.9029 3.9029 4.1248 4.1248 4.7699 4.7699 5.0388 5.0388 6.0476 6.0476 8.2750 8.2750 8.6002 8.6002 8.8230 8.8230 9.0104 9.0104 11.0664 11.0664 12.1505 12.1505 12.7707 12.7707 14.1980 14.1980 k = 0.2500 0.5000-0.0000 ( 3786 PWs) bands (ev): -31.0739 -31.0739 -31.0612 -31.0612 -12.5027 -12.5027 -12.4495 -12.4495 -12.1534 -12.1534 -12.1055 -12.1055 -12.0325 -12.0325 -12.0226 -12.0226 -6.2290 -6.2290 -5.7370 -5.7370 -3.9478 -3.9478 -2.3923 -2.3923 0.3071 0.3071 2.1240 2.1240 2.8377 2.8377 3.5180 3.5180 3.7990 3.7990 4.1682 4.1682 4.7888 4.7888 5.0554 5.0554 6.0754 6.0754 8.4199 8.4199 8.5954 8.5954 8.7117 8.7117 9.1245 9.1245 10.9225 10.9225 12.2397 12.2397 12.7162 12.7162 14.2146 14.2146 k = 0.2619 0.5000-0.0000 ( 3790 PWs) bands (ev): -31.0736 -31.0736 -31.0609 -31.0609 -12.5020 -12.5020 -12.4504 -12.4504 -12.1529 -12.1529 -12.1069 -12.1069 -12.0347 -12.0347 -12.0258 -12.0258 -6.1974 -6.1974 -5.7304 -5.7304 -3.9348 -3.9348 -2.4918 -2.4918 0.3432 0.3432 2.0421 2.0421 2.7912 2.7912 3.6349 3.6349 3.6969 3.6969 4.2134 4.2134 4.8072 4.8072 5.0717 5.0717 6.1023 6.1023 8.5642 8.5642 8.5915 8.5915 8.6052 8.6052 9.2366 9.2366 10.7804 10.7804 12.3313 12.3313 12.6619 12.6619 14.2272 14.2272 k = 0.2738 0.5000-0.0000 ( 3782 PWs) bands (ev): -31.0732 -31.0732 -31.0606 -31.0606 -12.5013 -12.5013 -12.4513 -12.4513 -12.1523 -12.1523 -12.1084 -12.1084 -12.0366 -12.0366 -12.0289 -12.0289 -6.1648 -6.1648 -5.7238 -5.7238 -3.9218 -3.9218 -2.5893 -2.5893 0.3810 0.3810 1.9628 1.9628 2.7449 2.7449 3.5972 3.5972 3.7495 3.7495 4.2606 4.2606 4.8248 4.8248 5.0875 5.0875 6.1278 6.1278 8.5032 8.5032 8.5897 8.5897 8.7077 8.7077 9.3464 9.3464 10.6402 10.6402 12.4251 12.4251 12.6078 12.6078 14.2349 14.2349 k = 0.2857 0.5000-0.0000 ( 3780 PWs) bands (ev): -31.0729 -31.0729 -31.0603 -31.0603 -12.5006 -12.5006 -12.4523 -12.4523 -12.1518 -12.1518 -12.1100 -12.1100 -12.0383 -12.0383 -12.0319 -12.0319 -6.1313 -6.1313 -5.7173 -5.7173 -3.9089 -3.9089 -2.6846 -2.6846 0.4203 0.4203 1.8864 1.8864 2.6988 2.6988 3.5002 3.5002 3.8612 3.8612 4.3096 4.3096 4.8417 4.8417 5.1029 5.1029 6.1511 6.1511 8.4077 8.4077 8.5886 8.5886 8.8500 8.8500 9.4537 9.4537 10.5021 10.5021 12.5208 12.5208 12.5540 12.5540 14.2371 14.2371 k = 0.2976 0.5000-0.0000 ( 3778 PWs) bands (ev): -31.0726 -31.0726 -31.0600 -31.0600 -12.4999 -12.4999 -12.4533 -12.4533 -12.1514 -12.1514 -12.1117 -12.1117 -12.0399 -12.0399 -12.0347 -12.0347 -6.0971 -6.0971 -5.7109 -5.7109 -3.8963 -3.8963 -2.7773 -2.7773 0.4612 0.4612 1.8130 1.8130 2.6525 2.6525 3.4063 3.4063 3.9698 3.9698 4.3603 4.3603 4.8578 4.8578 5.1176 5.1176 6.1717 6.1717 8.3190 8.3190 8.5887 8.5887 8.9906 8.9906 9.5583 9.5583 10.3661 10.3661 12.5004 12.5004 12.6182 12.6182 14.2333 14.2333 k = 0.3095 0.5000-0.0000 ( 3774 PWs) bands (ev): -31.0723 -31.0723 -31.0597 -31.0597 -12.4993 -12.4993 -12.4544 -12.4544 -12.1509 -12.1509 -12.1135 -12.1135 -12.0414 -12.0414 -12.0372 -12.0372 -6.0623 -6.0623 -5.7048 -5.7048 -3.8840 -3.8840 -2.8673 -2.8673 0.5036 0.5036 1.7428 1.7428 2.6061 2.6061 3.3159 3.3159 4.0749 4.0749 4.4129 4.4129 4.8730 4.8730 5.1317 5.1317 6.1884 6.1884 8.2383 8.2383 8.5899 8.5899 9.1292 9.1292 9.6598 9.6598 10.2325 10.2325 12.4472 12.4472 12.7169 12.7169 14.2238 14.2238 k = 0.3214 0.5000-0.0000 ( 3772 PWs) bands (ev): -31.0720 -31.0720 -31.0594 -31.0594 -12.4988 -12.4988 -12.4555 -12.4555 -12.1505 -12.1505 -12.1154 -12.1154 -12.0429 -12.0429 -12.0394 -12.0394 -6.0271 -6.0271 -5.6988 -5.6988 -3.8721 -3.8721 -2.9543 -2.9543 0.5475 0.5475 1.6759 1.6759 2.5590 2.5590 3.2296 3.2296 4.1760 4.1760 4.4670 4.4670 4.8874 4.8874 5.1451 5.1451 6.2006 6.2006 8.1664 8.1664 8.5921 8.5921 9.2654 9.2654 9.7579 9.7579 10.1011 10.1011 12.3943 12.3943 12.8165 12.8165 14.2089 14.2089 k = 0.3333 0.5000-0.0000 ( 3780 PWs) bands (ev): -31.0717 -31.0717 -31.0592 -31.0592 -12.4983 -12.4983 -12.4566 -12.4566 -12.1502 -12.1502 -12.1173 -12.1173 -12.0447 -12.0447 -12.0409 -12.0409 -5.9917 -5.9917 -5.6930 -5.6930 -3.8610 -3.8610 -3.0381 -3.0381 0.5927 0.5927 1.6126 1.6126 2.5111 2.5111 3.1479 3.1479 4.2729 4.2729 4.5228 4.5228 4.9009 4.9009 5.1578 5.1578 6.2072 6.2072 8.1043 8.1043 8.5953 8.5953 9.3988 9.3988 9.8524 9.8524 9.9723 9.9723 12.3418 12.3418 12.9164 12.9164 14.1896 14.1896 k = 0.3452 0.5000-0.0000 ( 3784 PWs) bands (ev): -31.0714 -31.0714 -31.0589 -31.0589 -12.4978 -12.4978 -12.4577 -12.4577 -12.1499 -12.1499 -12.1193 -12.1193 -12.0466 -12.0466 -12.0420 -12.0420 -5.9562 -5.9562 -5.6875 -5.6875 -3.8506 -3.8506 -3.1181 -3.1181 0.6393 0.6393 1.5529 1.5529 2.4621 2.4621 3.0714 3.0714 4.3651 4.3651 4.5800 4.5800 4.9135 4.9135 5.1696 5.1696 6.2074 6.2074 8.0531 8.0531 8.5993 8.5993 9.5288 9.5288 9.8461 9.8461 9.9429 9.9429 12.2897 12.2897 13.0163 13.0163 14.1669 14.1669 k = 0.3571 0.5000-0.0000 ( 3792 PWs) bands (ev): -31.0712 -31.0712 -31.0587 -31.0587 -12.4973 -12.4973 -12.4589 -12.4589 -12.1496 -12.1496 -12.1212 -12.1212 -12.0486 -12.0486 -12.0428 -12.0428 -5.9209 -5.9209 -5.6823 -5.6823 -3.8413 -3.8413 -3.1940 -3.1940 0.6869 0.6869 1.4970 1.4970 2.4115 2.4115 3.0006 3.0006 4.4524 4.4524 4.6385 4.6385 4.9252 4.9252 5.1805 5.1805 6.2005 6.2005 8.0135 8.0135 8.6039 8.6039 9.6551 9.6551 9.7226 9.7226 10.0289 10.0289 12.2380 12.2380 13.1154 13.1154 14.1419 14.1419 k = 0.3690 0.5000-0.0000 ( 3796 PWs) bands (ev): -31.0709 -31.0709 -31.0584 -31.0584 -12.4969 -12.4969 -12.4601 -12.4601 -12.1494 -12.1494 -12.1231 -12.1231 -12.0505 -12.0505 -12.0433 -12.0433 -5.8861 -5.8861 -5.6774 -5.6774 -3.8333 -3.8333 -3.2654 -3.2654 0.7355 0.7355 1.4451 1.4451 2.3592 2.3592 2.9360 2.9360 4.5342 4.5342 4.6982 4.6982 4.9359 4.9359 5.1906 5.1906 6.1861 6.1861 7.9860 7.9860 8.6091 8.6091 9.6020 9.6020 9.7770 9.7770 10.1103 10.1103 12.1868 12.1868 13.2132 13.2132 14.1155 14.1155 k = 0.3810 0.5000-0.0000 ( 3796 PWs) bands (ev): -31.0707 -31.0707 -31.0582 -31.0582 -12.4965 -12.4965 -12.4611 -12.4611 -12.1491 -12.1491 -12.1249 -12.1249 -12.0522 -12.0522 -12.0437 -12.0437 -5.8521 -5.8521 -5.6728 -5.6728 -3.8269 -3.8269 -3.3316 -3.3316 0.7849 0.7849 1.3972 1.3972 2.3052 2.3052 2.8780 2.8780 4.6104 4.6104 4.7589 4.7589 4.9458 4.9458 5.1998 5.1998 6.1641 6.1641 7.9707 7.9707 8.6147 8.6147 9.4845 9.4845 9.8940 9.8940 10.1864 10.1864 12.1364 12.1364 13.3088 13.3088 14.0885 14.0885 k = 0.3929 0.5000-0.0000 ( 3796 PWs) bands (ev): -31.0705 -31.0705 -31.0580 -31.0580 -12.4962 -12.4962 -12.4622 -12.4622 -12.1489 -12.1489 -12.1266 -12.1266 -12.0537 -12.0537 -12.0439 -12.0439 -5.8193 -5.8193 -5.6686 -5.6686 -3.8224 -3.8224 -3.3921 -3.3921 0.8348 0.8348 1.3535 1.3535 2.2498 2.2498 2.8267 2.8267 4.6806 4.6806 4.8202 4.8202 4.9547 4.9547 5.2081 5.2081 6.1349 6.1349 7.9675 7.9675 8.6204 8.6204 9.3704 9.3704 10.0054 10.0054 10.2571 10.2571 12.0870 12.0870 13.4012 13.4012 14.0619 14.0619 k = 0.4048 0.5000-0.0000 ( 3792 PWs) bands (ev): -31.0703 -31.0703 -31.0578 -31.0578 -12.4958 -12.4958 -12.4632 -12.4632 -12.1486 -12.1486 -12.1282 -12.1282 -12.0551 -12.0551 -12.0441 -12.0441 -5.7881 -5.7881 -5.6648 -5.6648 -3.8203 -3.8203 -3.4460 -3.4460 0.8848 0.8848 1.3140 1.3140 2.1933 2.1933 2.7821 2.7821 4.7443 4.7443 4.8818 4.8818 4.9628 4.9628 5.2156 5.2156 6.0992 6.0992 7.9756 7.9756 8.6261 8.6261 9.2599 9.2599 10.1105 10.1105 10.3218 10.3218 12.0388 12.0388 13.4892 13.4892 14.0362 14.0362 k = 0.4167 0.5000-0.0000 ( 3802 PWs) bands (ev): -31.0702 -31.0702 -31.0577 -31.0577 -12.4955 -12.4955 -12.4642 -12.4642 -12.1484 -12.1484 -12.1298 -12.1298 -12.0563 -12.0563 -12.0443 -12.0443 -5.7590 -5.7590 -5.6614 -5.6614 -3.8208 -3.8208 -3.4926 -3.4926 0.9342 0.9342 1.2790 1.2790 2.1368 2.1368 2.7439 2.7439 4.8014 4.8014 4.9432 4.9432 4.9698 4.9698 5.2221 5.2221 6.0581 6.0581 7.9942 7.9942 8.6316 8.6316 9.1534 9.1534 10.2083 10.2083 10.3801 10.3801 11.9922 11.9922 13.5717 13.5717 14.0122 14.0122 k = 0.4286 0.5000-0.0000 ( 3806 PWs) bands (ev): -31.0700 -31.0700 -31.0575 -31.0575 -12.4952 -12.4952 -12.4650 -12.4650 -12.1482 -12.1482 -12.1311 -12.1311 -12.0574 -12.0574 -12.0444 -12.0444 -5.7323 -5.7323 -5.6584 -5.6584 -3.8243 -3.8243 -3.5313 -3.5313 0.9825 0.9825 1.2484 1.2484 2.0813 2.0813 2.7118 2.7118 4.8515 4.8515 4.9760 4.9760 5.0036 5.0036 5.2277 5.2277 6.0131 6.0131 8.0220 8.0220 8.6368 8.6368 9.0516 9.0516 10.2978 10.2978 10.4317 10.4317 11.9481 11.9481 13.6471 13.6471 13.9908 13.9908 k = 0.4405 0.5000-0.0000 ( 3804 PWs) bands (ev): -31.0699 -31.0699 -31.0574 -31.0574 -12.4950 -12.4950 -12.4657 -12.4657 -12.1480 -12.1480 -12.1323 -12.1323 -12.0583 -12.0583 -12.0444 -12.0444 -5.7086 -5.7086 -5.6557 -5.6557 -3.8305 -3.8305 -3.5619 -3.5619 1.0286 1.0286 1.2224 1.2224 2.0282 2.0282 2.6854 2.6854 4.8943 4.8943 4.9812 4.9812 5.0621 5.0621 5.2325 5.2325 5.9661 5.9661 8.0573 8.0573 8.6415 8.6415 8.9551 8.9551 10.3777 10.3777 10.4761 10.4761 11.9072 11.9072 13.7137 13.7137 13.9726 13.9726 k = 0.4524 0.5000-0.0000 ( 3796 PWs) bands (ev): -31.0698 -31.0698 -31.0573 -31.0573 -12.4948 -12.4948 -12.4663 -12.4663 -12.1479 -12.1479 -12.1333 -12.1333 -12.0590 -12.0590 -12.0444 -12.0444 -5.6885 -5.6885 -5.6535 -5.6535 -3.8386 -3.8386 -3.5846 -3.5846 1.0711 1.0711 1.2010 1.2010 1.9793 1.9793 2.6643 2.6643 4.9297 4.9297 4.9854 4.9854 5.1171 5.1171 5.2364 5.2364 5.9194 5.9194 8.0980 8.0980 8.6455 8.6455 8.8655 8.8655 10.4467 10.4467 10.5130 10.5130 11.8708 11.8708 13.7695 13.7695 13.9586 13.9586 k = 0.4643 0.5000-0.0000 ( 3800 PWs) bands (ev): -31.0697 -31.0697 -31.0572 -31.0572 -12.4947 -12.4947 -12.4669 -12.4669 -12.1477 -12.1477 -12.1341 -12.1341 -12.0596 -12.0596 -12.0444 -12.0444 -5.6724 -5.6724 -5.6516 -5.6516 -3.8473 -3.8473 -3.6005 -3.6005 1.1081 1.1081 1.1844 1.1844 1.9370 1.9370 2.6483 2.6483 4.9575 4.9575 4.9887 4.9887 5.1662 5.1662 5.2395 5.2395 5.8758 5.8758 8.1412 8.1412 8.6487 8.6487 8.7850 8.7850 10.5030 10.5030 10.5421 10.5421 11.8400 11.8400 13.8122 13.8122 13.9499 13.9499 k = 0.4762 0.5000-0.0000 ( 3800 PWs) bands (ev): -31.0696 -31.0696 -31.0572 -31.0572 -12.4946 -12.4946 -12.4672 -12.4672 -12.1476 -12.1476 -12.1347 -12.1347 -12.0600 -12.0600 -12.0444 -12.0444 -5.6610 -5.6610 -5.6498 -5.6498 -3.8549 -3.8549 -3.6106 -3.6106 1.1372 1.1372 1.1726 1.1726 1.9037 1.9037 2.6370 2.6370 4.9774 4.9774 4.9911 4.9911 5.2061 5.2061 5.2420 5.2420 5.8393 5.8393 8.1823 8.1823 8.6509 8.6509 8.7178 8.7178 10.5449 10.5449 10.5631 10.5631 11.8165 11.8165 13.8402 13.8402 13.9470 13.9470 k = 0.4881 0.5000-0.0000 ( 3800 PWs) bands (ev): -31.0696 -31.0696 -31.0571 -31.0571 -12.4945 -12.4945 -12.4674 -12.4674 -12.1475 -12.1475 -12.1351 -12.1351 -12.0602 -12.0602 -12.0444 -12.0444 -5.6550 -5.6550 -5.6477 -5.6477 -3.8601 -3.8601 -3.6163 -3.6163 1.1553 1.1553 1.1662 1.1662 1.8822 1.8822 2.6303 2.6303 4.9894 4.9894 4.9925 4.9925 5.2316 5.2316 5.2447 5.2447 5.8144 5.8144 8.2138 8.2138 8.6514 8.6514 8.6717 8.6717 10.5709 10.5709 10.5757 10.5757 11.8017 11.8017 13.8544 13.8544 13.9482 13.9482 k = 0.5000 0.5000-0.0000 ( 3796 PWs) bands (ev): -31.0696 -31.0696 -31.0571 -31.0571 -12.4945 -12.4945 -12.4675 -12.4675 -12.1475 -12.1475 -12.1352 -12.1352 -12.0603 -12.0603 -12.0444 -12.0444 -5.6535 -5.6535 -5.6465 -5.6465 -3.8620 -3.8620 -3.6180 -3.6180 1.1596 1.1596 1.1662 1.1662 1.8748 1.8748 2.6281 2.6281 4.9929 4.9929 4.9935 4.9935 5.2384 5.2384 5.2479 5.2479 5.8055 5.8055 8.2260 8.2260 8.6479 8.6479 8.6582 8.6582 10.5797 10.5797 10.5800 10.5800 11.7967 11.7967 13.8585 13.8585 13.9494 13.9494 k = 0.5000 0.5000-0.0000 ( 3796 PWs) bands (ev): -31.0696 -31.0696 -31.0571 -31.0571 -12.4945 -12.4945 -12.4675 -12.4675 -12.1475 -12.1475 -12.1352 -12.1352 -12.0603 -12.0603 -12.0444 -12.0444 -5.6535 -5.6535 -5.6465 -5.6465 -3.8620 -3.8620 -3.6180 -3.6180 1.1596 1.1596 1.1662 1.1662 1.8748 1.8748 2.6281 2.6281 4.9929 4.9929 4.9935 4.9935 5.2384 5.2384 5.2479 5.2479 5.8055 5.8055 8.2260 8.2260 8.6479 8.6479 8.6582 8.6582 10.5797 10.5797 10.5800 10.5800 11.7967 11.7967 13.8585 13.8585 13.9494 13.9494 k = 0.4915 0.4915-0.0000 ( 3800 PWs) bands (ev): -31.0696 -31.0696 -31.0571 -31.0571 -12.4945 -12.4945 -12.4674 -12.4674 -12.1475 -12.1475 -12.1351 -12.1351 -12.0602 -12.0602 -12.0444 -12.0444 -5.6549 -5.6549 -5.6479 -5.6479 -3.8601 -3.8601 -3.6163 -3.6163 1.1567 1.1567 1.1648 1.1648 1.8824 1.8824 2.6304 2.6304 4.9907 4.9907 4.9912 4.9912 5.2319 5.2319 5.2442 5.2442 5.8146 5.8146 8.2136 8.2136 8.6524 8.6524 8.6709 8.6709 10.5721 10.5721 10.5743 10.5743 11.8018 11.8018 13.8546 13.8546 13.9480 13.9480 k = 0.4831 0.4831-0.0000 ( 3796 PWs) bands (ev): -31.0696 -31.0696 -31.0572 -31.0572 -12.4946 -12.4946 -12.4672 -12.4672 -12.1476 -12.1476 -12.1347 -12.1347 -12.0600 -12.0600 -12.0444 -12.0444 -5.6590 -5.6590 -5.6520 -5.6520 -3.8544 -3.8544 -3.6109 -3.6109 1.1448 1.1448 1.1644 1.1644 1.9045 1.9045 2.6371 2.6371 4.9838 4.9838 4.9845 4.9845 5.2079 5.2079 5.2392 5.2392 5.8403 5.8403 8.1809 8.1809 8.6561 8.6561 8.7141 8.7141 10.5494 10.5494 10.5579 10.5579 11.8169 11.8169 13.8430 13.8430 13.9437 13.9437 k = 0.4746 0.4746-0.0000 ( 3796 PWs) bands (ev): -31.0697 -31.0697 -31.0572 -31.0572 -12.4947 -12.4947 -12.4668 -12.4668 -12.1477 -12.1477 -12.1340 -12.1340 -12.0596 -12.0596 -12.0444 -12.0444 -5.6660 -5.6660 -5.6586 -5.6586 -3.8450 -3.8450 -3.6021 -3.6021 1.1253 1.1253 1.1653 1.1653 1.9396 1.9396 2.6482 2.6482 4.9722 4.9722 4.9735 4.9735 5.1697 5.1697 5.2332 5.2332 5.8791 5.8791 8.1367 8.1367 8.6607 8.6607 8.7775 8.7775 10.5127 10.5127 10.5307 10.5307 11.8409 11.8409 13.8238 13.8238 13.9365 13.9365 k = 0.4661 0.4661-0.0000 ( 3793 PWs) bands (ev): -31.0698 -31.0698 -31.0573 -31.0573 -12.4948 -12.4948 -12.4663 -12.4663 -12.1479 -12.1479 -12.1332 -12.1332 -12.0590 -12.0590 -12.0444 -12.0444 -5.6757 -5.6757 -5.6677 -5.6677 -3.8319 -3.8319 -3.5898 -3.5898 1.1006 1.1006 1.1669 1.1669 1.9857 1.9857 2.6637 2.6637 4.9560 4.9560 4.9581 4.9581 5.1219 5.1219 5.2251 5.2251 5.9275 5.9275 8.0877 8.0877 8.6668 8.6668 8.8535 8.8535 10.4634 10.4634 10.4933 10.4933 11.8724 11.8724 13.7973 13.7973 13.9263 13.9263 k = 0.4576 0.4576-0.0000 ( 3791 PWs) bands (ev): -31.0699 -31.0699 -31.0574 -31.0574 -12.4950 -12.4950 -12.4656 -12.4656 -12.1480 -12.1480 -12.1321 -12.1321 -12.0583 -12.0583 -12.0444 -12.0444 -5.6882 -5.6882 -5.6789 -5.6789 -3.8152 -3.8152 -3.5742 -3.5742 1.0727 1.0727 1.1692 1.1692 2.0408 2.0408 2.6835 2.6835 4.9353 4.9353 4.9385 4.9385 5.0676 5.0676 5.2148 5.2148 5.9826 5.9826 8.0376 8.0376 8.6749 8.6749 8.9383 8.9383 10.4030 10.4030 10.4459 10.4459 11.9101 11.9101 13.7639 13.7639 13.9131 13.9131 k = 0.4492 0.4492-0.0000 ( 3791 PWs) bands (ev): -31.0700 -31.0700 -31.0575 -31.0575 -12.4953 -12.4953 -12.4648 -12.4648 -12.1482 -12.1482 -12.1309 -12.1309 -12.0574 -12.0574 -12.0444 -12.0444 -5.7035 -5.7035 -5.6921 -5.6921 -3.7952 -3.7952 -3.5553 -3.5553 1.0433 1.0433 1.1721 1.1721 2.1035 2.1035 2.7075 2.7075 4.9102 4.9102 4.9148 4.9148 5.0086 5.0086 5.2025 5.2025 6.0424 6.0424 7.9885 7.9885 8.6848 8.6848 9.0295 9.0295 10.3331 10.3331 10.3892 10.3892 11.9524 11.9524 13.7240 13.7240 13.8967 13.8967 k = 0.4407 0.4407-0.0000 ( 3791 PWs) bands (ev): -31.0701 -31.0701 -31.0577 -31.0577 -12.4956 -12.4956 -12.4639 -12.4639 -12.1483 -12.1483 -12.1295 -12.1295 -12.0564 -12.0564 -12.0444 -12.0444 -5.7213 -5.7213 -5.7072 -5.7072 -3.7718 -3.7718 -3.5334 -3.5334 1.0136 1.0136 1.1756 1.1756 2.1723 2.1723 2.7356 2.7356 4.8808 4.8808 4.8869 4.8869 4.9463 4.9463 5.1880 5.1880 6.1058 6.1058 7.9417 7.9417 8.6968 8.6968 9.1260 9.1260 10.2550 10.2550 10.3239 10.3239 11.9982 11.9982 13.6782 13.6782 13.8772 13.8772 k = 0.4322 0.4322-0.0000 ( 3791 PWs) bands (ev): -31.0703 -31.0703 -31.0579 -31.0579 -12.4959 -12.4959 -12.4628 -12.4628 -12.1485 -12.1485 -12.1279 -12.1279 -12.0553 -12.0553 -12.0443 -12.0443 -5.7415 -5.7415 -5.7241 -5.7241 -3.7453 -3.7453 -3.5085 -3.5085 0.9845 0.9845 1.1799 1.1799 2.2462 2.2462 2.7676 2.7676 4.8473 4.8473 4.8550 4.8550 4.8815 4.8815 5.1716 5.1716 6.1719 6.1719 7.8979 7.8979 8.7109 8.7109 9.2267 9.2267 10.1698 10.1698 10.2507 10.2507 12.0462 12.0462 13.6271 13.6271 13.8547 13.8547 k = 0.4237 0.4237-0.0000 ( 3785 PWs) bands (ev): -31.0705 -31.0705 -31.0580 -31.0580 -12.4962 -12.4962 -12.4616 -12.4616 -12.1486 -12.1486 -12.1261 -12.1261 -12.0539 -12.0539 -12.0443 -12.0443 -5.7639 -5.7639 -5.7425 -5.7425 -3.7158 -3.7158 -3.4808 -3.4808 0.9567 0.9567 1.1849 1.1849 2.3245 2.3245 2.8033 2.8033 4.8098 4.8098 4.8149 4.8149 4.8194 4.8194 5.1533 5.1533 6.2401 6.2401 7.8574 7.8574 8.7273 8.7273 9.3313 9.3313 10.0785 10.0785 10.1702 10.1702 12.0955 12.0955 13.5714 13.5714 13.8294 13.8294 k = 0.4153 0.4153-0.0000 ( 3787 PWs) bands (ev): -31.0708 -31.0708 -31.0583 -31.0583 -12.4966 -12.4966 -12.4603 -12.4603 -12.1487 -12.1487 -12.1242 -12.1242 -12.0525 -12.0525 -12.0442 -12.0442 -5.7882 -5.7882 -5.7624 -5.7624 -3.6835 -3.6835 -3.4505 -3.4505 0.9307 0.9307 1.1907 1.1907 2.4065 2.4065 2.8425 2.8425 4.7468 4.7468 4.7685 4.7685 4.7800 4.7800 5.1331 5.1331 6.3103 6.3103 7.8205 7.8205 8.7461 8.7461 9.4392 9.4392 9.9819 9.9819 10.0831 10.0831 12.1451 12.1451 13.5122 13.5122 13.8015 13.8015 k = 0.4068 0.4068-0.0000 ( 3789 PWs) bands (ev): -31.0710 -31.0710 -31.0585 -31.0585 -12.4970 -12.4970 -12.4590 -12.4590 -12.1487 -12.1487 -12.1221 -12.1221 -12.0509 -12.0509 -12.0442 -12.0442 -5.8144 -5.8144 -5.7836 -5.7836 -3.6485 -3.6485 -3.4177 -3.4177 0.9069 0.9069 1.1974 1.1974 2.4917 2.4917 2.8851 2.8851 4.6775 4.6775 4.7237 4.7237 4.7371 4.7371 5.1112 5.1112 6.3820 6.3820 7.7873 7.7873 8.7674 8.7674 9.5500 9.5500 9.8806 9.8806 9.9903 9.9903 12.1942 12.1942 13.4504 13.4504 13.7712 13.7712 k = 0.3983 0.3983-0.0000 ( 3797 PWs) bands (ev): -31.0713 -31.0713 -31.0587 -31.0587 -12.4975 -12.4975 -12.4575 -12.4575 -12.1487 -12.1487 -12.1199 -12.1199 -12.0493 -12.0493 -12.0441 -12.0441 -5.8422 -5.8422 -5.8058 -5.8058 -3.6110 -3.6110 -3.3825 -3.3825 0.8855 0.8855 1.2050 1.2050 2.5795 2.5795 2.9307 2.9307 4.6072 4.6072 4.6756 4.6756 4.6910 4.6910 5.0878 5.0878 6.4553 6.4553 7.7579 7.7579 8.7913 8.7913 9.6636 9.6636 9.7753 9.7753 9.8924 9.8924 12.2415 12.2415 13.3875 13.3875 13.7390 13.7390 k = 0.3898 0.3898-0.0000 ( 3789 PWs) bands (ev): -31.0716 -31.0716 -31.0590 -31.0590 -12.4980 -12.4980 -12.4558 -12.4558 -12.1487 -12.1487 -12.1174 -12.1174 -12.0475 -12.0475 -12.0439 -12.0439 -5.8715 -5.8715 -5.8290 -5.8290 -3.5710 -3.5710 -3.3451 -3.3451 0.8669 0.8669 1.2136 1.2136 2.6695 2.6695 2.9790 2.9790 4.5361 4.5361 4.6244 4.6244 4.6419 4.6419 5.0629 5.0629 6.5299 6.5299 7.7323 7.7323 8.8180 8.8180 9.6665 9.6665 9.7796 9.7796 9.7902 9.7902 12.2857 12.2857 13.3252 13.3252 13.7052 13.7052 k = 0.3814 0.3814-0.0000 ( 3789 PWs) bands (ev): -31.0719 -31.0719 -31.0593 -31.0593 -12.4986 -12.4986 -12.4541 -12.4541 -12.1486 -12.1486 -12.1149 -12.1149 -12.0460 -12.0460 -12.0434 -12.0434 -5.9021 -5.9021 -5.8530 -5.8530 -3.5288 -3.5288 -3.3056 -3.3056 0.8511 0.8511 1.2233 1.2233 2.7612 2.7612 3.0297 3.0297 4.4643 4.4643 4.5706 4.5706 4.5901 4.5901 5.0368 5.0368 6.6058 6.6058 7.7105 7.7105 8.8477 8.8477 9.5547 9.5547 9.6841 9.6841 9.8977 9.8977 12.3248 12.3248 13.2658 13.2658 13.6701 13.6701 k = 0.3729 0.3729-0.0000 ( 3783 PWs) bands (ev): -31.0722 -31.0722 -31.0596 -31.0596 -12.4992 -12.4992 -12.4523 -12.4523 -12.1484 -12.1484 -12.1121 -12.1121 -12.0449 -12.0449 -12.0421 -12.0421 -5.9339 -5.9339 -5.8776 -5.8776 -3.4845 -3.4845 -3.2642 -3.2642 0.8383 0.8383 1.2340 1.2340 2.8540 2.8540 3.0823 3.0823 4.3920 4.3920 4.5146 4.5146 4.5360 4.5360 5.0095 5.0095 6.6830 6.6830 7.6925 7.6925 8.8803 8.8803 9.4402 9.4402 9.5750 9.5750 10.0177 10.0177 12.3563 12.3563 13.2121 13.2121 13.6342 13.6342 k = 0.3644 0.3644-0.0000 ( 3785 PWs) bands (ev): -31.0725 -31.0725 -31.0599 -31.0599 -12.4999 -12.4999 -12.4504 -12.4504 -12.1483 -12.1483 -12.1093 -12.1093 -12.0445 -12.0445 -12.0402 -12.0402 -5.9667 -5.9667 -5.9028 -5.9028 -3.4381 -3.4381 -3.2210 -3.2210 0.8286 0.8286 1.2458 1.2458 2.9473 2.9473 3.1363 3.1363 4.3192 4.3192 4.4570 4.4570 4.4802 4.4802 4.9812 4.9812 6.7614 6.7614 7.6781 7.6781 8.9161 8.9161 9.3236 9.3236 9.4633 9.4633 10.1393 10.1393 12.3769 12.3769 13.1679 13.1679 13.5977 13.5977 k = 0.3559 0.3559-0.0000 ( 3777 PWs) bands (ev): -31.0729 -31.0729 -31.0603 -31.0603 -12.5006 -12.5006 -12.4484 -12.4484 -12.1480 -12.1480 -12.1062 -12.1062 -12.0442 -12.0442 -12.0380 -12.0380 -6.0004 -6.0004 -5.9283 -5.9283 -3.3898 -3.3898 -3.1760 -3.1760 0.8220 0.8220 1.2588 1.2588 3.0402 3.0402 3.1909 3.1909 4.2462 4.2462 4.3985 4.3985 4.4231 4.4231 4.9521 4.9521 6.8410 6.8410 7.6673 7.6673 8.9551 8.9551 9.2052 9.2052 9.3497 9.3497 10.2623 10.2623 12.3833 12.3833 13.1370 13.1370 13.5610 13.5610 k = 0.3475 0.3475-0.0000 ( 3769 PWs) bands (ev): -31.0732 -31.0732 -31.0606 -31.0606 -12.5014 -12.5014 -12.4464 -12.4464 -12.1477 -12.1477 -12.1031 -12.1031 -12.0439 -12.0439 -12.0355 -12.0355 -6.0349 -6.0349 -5.9540 -5.9540 -3.3397 -3.3397 -3.1293 -3.1293 0.8186 0.8186 1.2730 1.2730 3.1316 3.1316 3.2452 3.2452 4.1729 4.1729 4.3401 4.3401 4.3658 4.3658 4.9223 4.9223 6.9218 6.9218 7.6600 7.6600 8.9974 8.9974 9.0854 9.0854 9.2348 9.2348 10.3863 10.3863 12.3726 12.3726 13.1225 13.1225 13.5244 13.5244 k = 0.3390 0.3390-0.0000 ( 3769 PWs) bands (ev): -31.0736 -31.0736 -31.0610 -31.0610 -12.5023 -12.5023 -12.4443 -12.4443 -12.1473 -12.1473 -12.0998 -12.0998 -12.0437 -12.0437 -12.0330 -12.0330 -6.0700 -6.0700 -5.9799 -5.9799 -3.2878 -3.2878 -3.0811 -3.0811 0.8184 0.8184 1.2884 1.2884 3.2197 3.2197 3.2977 3.2977 4.0996 4.0996 4.2836 4.2836 4.3095 4.3095 4.8920 4.8920 7.0037 7.0037 7.6561 7.6561 8.9646 8.9646 9.0431 9.0431 9.1190 9.1190 10.5109 10.5109 12.3441 12.3441 13.1254 13.1254 13.4882 13.4882 k = 0.3305 0.3305-0.0000 ( 3773 PWs) bands (ev): -31.0740 -31.0740 -31.0613 -31.0613 -12.5033 -12.5033 -12.4421 -12.4421 -12.1469 -12.1469 -12.0965 -12.0965 -12.0435 -12.0435 -12.0303 -12.0303 -6.1057 -6.1057 -6.0058 -6.0058 -3.2342 -3.2342 -3.0315 -3.0315 0.8215 0.8215 1.3051 1.3051 3.3021 3.3021 3.3468 3.3468 4.0262 4.0262 4.2312 4.2312 4.2558 4.2558 4.8612 4.8612 7.0868 7.0868 7.6554 7.6554 8.8431 8.8431 9.0030 9.0030 9.0923 9.0923 10.6359 10.6359 12.2998 12.2998 13.1443 13.1443 13.4524 13.4524 k = 0.3220 0.3220-0.0000 ( 3769 PWs) bands (ev): -31.0744 -31.0744 -31.0617 -31.0617 -12.5043 -12.5043 -12.4399 -12.4399 -12.1464 -12.1464 -12.0930 -12.0930 -12.0431 -12.0431 -12.0275 -12.0275 -6.1418 -6.1418 -6.0317 -6.0317 -3.1791 -3.1791 -2.9804 -2.9804 0.8278 0.8278 1.3231 1.3231 3.3748 3.3748 3.3898 3.3898 3.9530 3.9530 4.1868 4.1868 4.2072 4.2072 4.8303 4.8303 7.1710 7.1710 7.6579 7.6579 8.7214 8.7214 8.8872 8.8872 9.1450 9.1450 10.7608 10.7608 12.2427 12.2427 13.1761 13.1761 13.4175 13.4175 k = 0.3136 0.3136-0.0000 ( 3775 PWs) bands (ev): -31.0749 -31.0749 -31.0621 -31.0621 -12.5054 -12.5054 -12.4376 -12.4376 -12.1459 -12.1459 -12.0894 -12.0894 -12.0429 -12.0429 -12.0247 -12.0247 -6.1782 -6.1782 -6.0574 -6.0574 -3.1224 -3.1224 -2.9280 -2.9280 0.8374 0.8374 1.3424 1.3424 3.4230 3.4230 3.4323 3.4323 3.8801 3.8801 4.1560 4.1560 4.1671 4.1671 4.7993 4.7993 7.2562 7.2562 7.6635 7.6635 8.5998 8.5998 8.7721 8.7721 9.2013 9.2013 10.8852 10.8852 12.1763 12.1763 13.2179 13.2179 13.3836 13.3836 k = 0.3051 0.3051-0.0000 ( 3779 PWs) bands (ev): -31.0753 -31.0753 -31.0625 -31.0625 -12.5065 -12.5065 -12.4353 -12.4353 -12.1453 -12.1453 -12.0857 -12.0857 -12.0426 -12.0426 -12.0217 -12.0217 -6.2149 -6.2149 -6.0828 -6.0828 -3.0643 -3.0643 -2.8744 -2.8744 0.8502 0.8502 1.3630 1.3630 3.4425 3.4425 3.4673 3.4673 3.8074 3.8074 4.1393 4.1393 4.1453 4.1453 4.7683 4.7683 7.3426 7.3426 7.6719 7.6719 8.4788 8.4788 8.6583 8.6583 9.2611 9.2611 11.0085 11.0085 12.1034 12.1034 13.2667 13.2667 13.3508 13.3508 k = 0.2966 0.2966-0.0000 ( 3781 PWs) bands (ev): -31.0758 -31.0758 -31.0630 -31.0630 -12.5078 -12.5078 -12.4330 -12.4330 -12.1446 -12.1446 -12.0819 -12.0819 -12.0422 -12.0422 -12.0187 -12.0187 -6.2517 -6.2517 -6.1080 -6.1080 -3.0048 -3.0048 -2.8195 -2.8195 0.8663 0.8663 1.3850 1.3850 3.4443 3.4443 3.4747 3.4747 3.7353 3.7353 4.1277 4.1277 4.1599 4.1599 4.7374 4.7374 7.4301 7.4301 7.6832 7.6832 8.3588 8.3588 8.5463 8.5463 9.3246 9.3246 11.1302 11.1302 12.0264 12.0264 13.3169 13.3169 13.3232 13.3232 k = 0.2881 0.2881-0.0000 ( 3781 PWs) bands (ev): -31.0762 -31.0762 -31.0634 -31.0634 -12.5090 -12.5090 -12.4306 -12.4306 -12.1439 -12.1439 -12.0780 -12.0780 -12.0418 -12.0418 -12.0157 -12.0157 -6.2886 -6.2886 -6.1327 -6.1327 -2.9439 -2.9439 -2.7634 -2.7634 0.8855 0.8855 1.4083 1.4083 3.4265 3.4265 3.4548 3.4548 3.6637 3.6637 4.1335 4.1335 4.1991 4.1991 4.7068 4.7068 7.5187 7.5187 7.6971 7.6971 8.2403 8.2403 8.4368 8.4368 9.3917 9.3917 11.2496 11.2496 11.9468 11.9468 13.2889 13.2889 13.3787 13.3787 k = 0.2797 0.2797-0.0000 ( 3781 PWs) bands (ev): -31.0767 -31.0767 -31.0638 -31.0638 -12.5104 -12.5104 -12.4281 -12.4281 -12.1431 -12.1431 -12.0741 -12.0741 -12.0413 -12.0413 -12.0125 -12.0125 -6.3254 -6.3254 -6.1571 -6.1571 -2.8817 -2.8817 -2.7062 -2.7062 0.9079 0.9079 1.4330 1.4330 3.3903 3.3903 3.4127 3.4127 3.5928 3.5928 4.1555 4.1555 4.2575 4.2575 4.6766 4.6766 7.6083 7.6083 7.7136 7.7136 8.1239 8.1239 8.3302 8.3302 9.4623 9.4623 11.3659 11.3659 11.8659 11.8659 13.2602 13.2602 13.4389 13.4389 k = 0.2712 0.2712-0.0000 ( 3787 PWs) bands (ev): -31.0771 -31.0771 -31.0643 -31.0643 -12.5119 -12.5119 -12.4257 -12.4257 -12.1423 -12.1423 -12.0700 -12.0700 -12.0407 -12.0407 -12.0094 -12.0094 -6.3621 -6.3621 -6.1809 -6.1809 -2.8183 -2.8183 -2.6479 -2.6479 0.9335 0.9335 1.4591 1.4591 3.3389 3.3389 3.3548 3.3548 3.5226 3.5226 4.1898 4.1898 4.3283 4.3283 4.6468 4.6468 7.6989 7.6989 7.7326 7.7326 8.0102 8.0102 8.2273 8.2273 9.5365 9.5365 11.4784 11.4784 11.7844 11.7844 13.2330 13.2330 13.5008 13.5008 k = 0.2627 0.2627-0.0000 ( 3785 PWs) bands (ev): -31.0776 -31.0776 -31.0647 -31.0647 -12.5134 -12.5134 -12.4233 -12.4233 -12.1413 -12.1413 -12.0660 -12.0660 -12.0401 -12.0401 -12.0062 -12.0062 -6.3986 -6.3986 -6.2042 -6.2042 -2.7537 -2.7537 -2.5886 -2.5886 0.9622 0.9622 1.4866 1.4866 3.2761 3.2761 3.2860 3.2860 3.4534 3.4534 4.2323 4.2323 4.4056 4.4056 4.6176 4.6176 7.7540 7.7540 7.7907 7.7907 7.8998 7.8998 8.1287 8.1287 9.6141 9.6141 11.5861 11.5861 11.7031 11.7031 13.2074 13.2074 13.5637 13.5637 k = 0.2542 0.2542-0.0000 ( 3779 PWs) bands (ev): -31.0780 -31.0780 -31.0651 -31.0651 -12.5150 -12.5150 -12.4208 -12.4208 -12.1403 -12.1403 -12.0619 -12.0619 -12.0395 -12.0395 -12.0029 -12.0029 -6.4348 -6.4348 -6.2269 -6.2269 -2.6879 -2.6879 -2.5282 -2.5282 0.9939 0.9939 1.5153 1.5153 3.2049 3.2049 3.2099 3.2099 3.3852 3.3852 4.2794 4.2794 4.4855 4.4855 4.5890 4.5890 7.7776 7.7776 7.7937 7.7937 7.8835 7.8835 8.0351 8.0351 9.6952 9.6952 11.6226 11.6226 11.6879 11.6879 13.1834 13.1834 13.6269 13.6269 k = 0.2458 0.2458-0.0000 ( 3775 PWs) bands (ev): -31.0785 -31.0785 -31.0656 -31.0656 -12.5167 -12.5167 -12.4184 -12.4184 -12.1392 -12.1392 -12.0578 -12.0578 -12.0387 -12.0387 -11.9996 -11.9996 -6.4707 -6.4707 -6.2490 -6.2490 -2.6210 -2.6210 -2.4668 -2.4668 1.0286 1.0286 1.5454 1.5454 3.1276 3.1276 3.1288 3.1288 3.3181 3.3181 4.3281 4.3281 4.5592 4.5592 4.5668 4.5668 7.6927 7.6927 7.8033 7.8033 7.9473 7.9473 7.9773 7.9773 9.7796 9.7796 11.5431 11.5431 11.7828 11.7828 13.1610 13.1610 13.6882 13.6882 k = 0.2373 0.2373-0.0000 ( 3777 PWs) bands (ev): -31.0790 -31.0790 -31.0660 -31.0660 -12.5184 -12.5184 -12.4159 -12.4159 -12.1381 -12.1381 -12.0538 -12.0538 -12.0378 -12.0378 -11.9964 -11.9964 -6.5061 -6.5061 -6.2705 -6.2705 -2.5531 -2.5531 -2.4045 -2.4045 1.0662 1.0662 1.5767 1.5767 3.0434 3.0434 3.0464 3.0464 3.2523 3.2523 4.3762 4.3762 4.5337 4.5337 4.6415 4.6415 7.5978 7.5978 7.8311 7.8311 7.8662 7.8662 8.0723 8.0723 9.8671 9.8671 11.4652 11.4652 11.8697 11.8697 13.1403 13.1403 13.6808 13.6809 k = 0.2288 0.2288-0.0000 ( 3781 PWs) bands (ev): -31.0794 -31.0794 -31.0665 -31.0665 -12.5202 -12.5202 -12.4135 -12.4135 -12.1370 -12.1370 -12.0499 -12.0499 -12.0368 -12.0368 -11.9931 -11.9931 -6.5410 -6.5410 -6.2913 -6.2913 -2.4842 -2.4842 -2.3413 -2.3413 1.1067 1.1067 1.6092 1.6092 2.9557 2.9557 2.9618 2.9618 3.1878 3.1878 4.4216 4.4216 4.5074 4.5074 4.7127 4.7127 7.5104 7.5104 7.7924 7.7924 7.8609 7.8609 8.1682 8.1682 9.9578 9.9578 11.3890 11.3890 11.9474 11.9474 13.1213 13.1213 13.6484 13.6484 k = 0.2203 0.2203-0.0000 ( 3771 PWs) bands (ev): -31.0799 -31.0799 -31.0669 -31.0669 -12.5220 -12.5220 -12.4111 -12.4111 -12.1358 -12.1358 -12.0462 -12.0462 -12.0354 -12.0354 -11.9898 -11.9898 -6.5754 -6.5754 -6.3114 -6.3114 -2.4143 -2.4143 -2.2771 -2.2771 1.1500 1.1500 1.6427 1.6427 2.8659 2.8659 2.8751 2.8751 3.1247 3.1247 4.4629 4.4629 4.4818 4.4818 4.7769 4.7769 7.4317 7.4317 7.7270 7.7270 7.8924 7.8924 8.2653 8.2653 10.0513 10.0513 11.3148 11.3148 12.0150 12.0150 13.1040 13.1040 13.6172 13.6172 k = 0.2119 0.2119-0.0000 ( 3773 PWs) bands (ev): -31.0804 -31.0804 -31.0673 -31.0673 -12.5238 -12.5238 -12.4088 -12.4088 -12.1345 -12.1345 -12.0430 -12.0430 -12.0336 -12.0336 -11.9866 -11.9866 -6.6091 -6.6091 -6.3308 -6.3308 -2.3435 -2.3435 -2.2122 -2.2122 1.1959 1.1959 1.6771 1.6771 2.7746 2.7746 2.7870 2.7870 3.0631 3.0631 4.4572 4.4572 4.4986 4.4986 4.8319 4.8319 7.3631 7.3631 7.6707 7.6707 7.9256 7.9256 8.3634 8.3634 10.1476 10.1476 11.2427 11.2427 12.0718 12.0718 13.0883 13.0883 13.5876 13.5876 k = 0.2034 0.2034-0.0000 ( 3777 PWs) bands (ev): -31.0808 -31.0808 -31.0678 -31.0678 -12.5258 -12.5258 -12.4065 -12.4065 -12.1333 -12.1333 -12.0404 -12.0404 -12.0311 -12.0311 -11.9834 -11.9834 -6.6421 -6.6421 -6.3495 -6.3495 -2.2719 -2.2719 -2.1464 -2.1464 1.2444 1.2444 1.7120 1.7120 2.6824 2.6824 2.6985 2.6985 3.0032 3.0032 4.4335 4.4335 4.5275 4.5275 4.8761 4.8761 7.3061 7.3061 7.6243 7.6243 7.9605 7.9605 8.4626 8.4626 10.2464 10.2464 11.1731 11.1731 12.1173 12.1173 13.0743 13.0743 13.5600 13.5600 k = 0.1949 0.1949-0.0000 ( 3777 PWs) bands (ev): -31.0813 -31.0813 -31.0682 -31.0682 -12.5277 -12.5277 -12.4043 -12.4043 -12.1319 -12.1319 -12.0384 -12.0384 -12.0281 -12.0281 -11.9802 -11.9802 -6.6743 -6.6743 -6.3674 -6.3674 -2.1995 -2.1995 -2.0799 -2.0799 1.2954 1.2954 1.7471 1.7471 2.5895 2.5895 2.6103 2.6103 2.9450 2.9450 4.4107 4.4107 4.5486 4.5486 4.9076 4.9076 7.2619 7.2619 7.5883 7.5883 7.9967 7.9967 8.5628 8.5628 10.3474 10.3474 11.1059 11.1059 12.1514 12.1514 13.0618 13.0618 13.5345 13.5345 k = 0.1864 0.1864-0.0000 ( 3773 PWs) bands (ev): -31.0817 -31.0817 -31.0686 -31.0686 -12.5295 -12.5295 -12.4021 -12.4021 -12.1306 -12.1306 -12.0369 -12.0369 -12.0246 -12.0246 -11.9771 -11.9771 -6.7056 -6.7056 -6.3846 -6.3846 -2.1263 -2.1263 -2.0126 -2.0126 1.3485 1.3485 1.7814 1.7814 2.4964 2.4964 2.5235 2.5235 2.8886 2.8886 4.3889 4.3889 4.5611 4.5611 4.9253 4.9253 7.2316 7.2316 7.5632 7.5632 8.0343 8.0343 8.6641 8.6641 10.4506 10.4506 11.0414 11.0414 12.1743 12.1743 13.0510 13.0510 13.5113 13.5113 k = 0.1780 0.1780-0.0000 ( 3781 PWs) bands (ev): -31.0821 -31.0821 -31.0690 -31.0690 -12.5315 -12.5315 -12.4000 -12.4000 -12.1292 -12.1292 -12.0356 -12.0356 -12.0209 -12.0209 -11.9740 -11.9740 -6.7361 -6.7361 -6.4010 -6.4010 -2.0526 -2.0526 -1.9448 -1.9448 1.4035 1.4035 1.8137 1.8137 2.4036 2.4036 2.4399 2.4399 2.8340 2.8340 4.3680 4.3680 4.5645 4.5645 4.9283 4.9283 7.2154 7.2154 7.5493 7.5493 8.0732 8.0732 8.7665 8.7665 10.5554 10.5554 10.9796 10.9796 12.1865 12.1865 13.0417 13.0417 13.4905 13.4905 k = 0.1695 0.1695-0.0000 ( 3777 PWs) bands (ev): -31.0825 -31.0825 -31.0694 -31.0694 -12.5334 -12.5334 -12.3979 -12.3979 -12.1278 -12.1278 -12.0345 -12.0345 -12.0171 -12.0171 -11.9710 -11.9710 -6.7656 -6.7656 -6.4166 -6.4166 -1.9783 -1.9783 -1.8763 -1.8763 1.4600 1.4600 1.8413 1.8413 2.3118 2.3118 2.3624 2.3624 2.7815 2.7815 4.3482 4.3482 4.5586 4.5586 4.9164 4.9164 7.2133 7.2133 7.5462 7.5462 8.1130 8.1130 8.8700 8.8700 10.6617 10.6617 10.9206 10.9206 12.1889 12.1889 13.0339 13.0339 13.4724 13.4724 k = 0.1610 0.1610-0.0000 ( 3777 PWs) bands (ev): -31.0830 -31.0830 -31.0698 -31.0698 -12.5353 -12.5353 -12.3960 -12.3960 -12.1264 -12.1264 -12.0335 -12.0335 -12.0133 -12.0133 -11.9681 -11.9681 -6.7941 -6.7941 -6.4315 -6.4315 -1.9035 -1.9035 -1.8074 -1.8074 1.5171 1.5171 1.8594 1.8594 2.2219 2.2219 2.2958 2.2958 2.7310 2.7310 4.3293 4.3293 4.5435 4.5435 4.8902 4.8902 7.2244 7.2244 7.5538 7.5538 8.1537 8.1537 8.9745 8.9745 10.7690 10.7690 10.8646 10.8646 12.1824 12.1824 13.0275 13.0275 13.4570 13.4570 k = 0.1525 0.1525-0.0000 ( 3777 PWs) bands (ev): -31.0833 -31.0833 -31.0701 -31.0701 -12.5372 -12.5372 -12.3941 -12.3941 -12.1251 -12.1251 -12.0325 -12.0325 -12.0096 -12.0096 -11.9652 -11.9652 -6.8215 -6.8215 -6.4455 -6.4455 -1.8285 -1.8285 -1.7381 -1.7381 1.5732 1.5732 1.8605 1.8605 2.1356 2.1356 2.2480 2.2480 2.6827 2.6827 4.3115 4.3115 4.5195 4.5195 4.8507 4.8507 7.2474 7.2474 7.5712 7.5712 8.1951 8.1951 9.0800 9.0800 10.8116 10.8116 10.8770 10.8770 12.1681 12.1681 13.0226 13.0226 13.4445 13.4445 k = 0.1441 0.1441-0.0000 ( 3773 PWs) bands (ev): -31.0837 -31.0837 -31.0705 -31.0705 -12.5390 -12.5390 -12.3923 -12.3923 -12.1237 -12.1237 -12.0315 -12.0315 -12.0059 -12.0059 -11.9625 -11.9625 -6.8477 -6.8477 -6.4588 -6.4588 -1.7532 -1.7532 -1.6686 -1.6686 1.6247 1.6247 1.8371 1.8371 2.0567 2.0567 2.2267 2.2267 2.6365 2.6365 4.2947 4.2947 4.4872 4.4872 4.7993 4.7993 7.2805 7.2805 7.5977 7.5977 8.2371 8.2371 9.1865 9.1865 10.7617 10.7617 10.9850 10.9850 12.1471 12.1471 13.0189 13.0189 13.4350 13.4350 k = 0.1356 0.1356-0.0000 ( 3773 PWs) bands (ev): -31.0841 -31.0841 -31.0708 -31.0708 -12.5408 -12.5408 -12.3905 -12.3905 -12.1224 -12.1224 -12.0306 -12.0306 -12.0023 -12.0023 -11.9598 -11.9598 -6.8728 -6.8728 -6.4713 -6.4713 -1.6778 -1.6778 -1.5989 -1.5989 1.6629 1.6629 1.7892 1.7892 1.9941 1.9941 2.2321 2.2321 2.5926 2.5926 4.2789 4.2789 4.4473 4.4473 4.7375 4.7375 7.3218 7.3218 7.6320 7.6320 8.2793 8.2793 9.2939 9.2939 10.7148 10.7148 11.0925 11.0925 12.1203 12.1203 13.0165 13.0165 13.3727 13.3727 k = 0.1271 0.1271-0.0000 ( 3773 PWs) bands (ev): -31.0844 -31.0844 -31.0712 -31.0712 -12.5426 -12.5426 -12.3889 -12.3889 -12.1211 -12.1211 -12.0296 -12.0296 -11.9988 -11.9988 -11.9572 -11.9572 -6.8966 -6.8966 -6.4831 -6.4831 -1.6026 -1.6026 -1.5292 -1.5292 1.6704 1.6704 1.7244 1.7244 1.9654 1.9654 2.2569 2.2569 2.5510 2.5510 4.2641 4.2641 4.4007 4.4007 4.6671 4.6671 7.3692 7.3692 7.6729 7.6729 8.3216 8.3216 9.4021 9.4021 10.6712 10.6712 11.1987 11.1987 12.0890 12.0890 13.0152 13.0152 13.2993 13.2993 k = 0.1186 0.1186-0.0000 ( 3765 PWs) bands (ev): -31.0848 -31.0848 -31.0715 -31.0715 -12.5443 -12.5443 -12.3873 -12.3873 -12.1198 -12.1198 -12.0287 -12.0287 -11.9955 -11.9955 -11.9548 -11.9548 -6.9191 -6.9191 -6.4940 -6.4940 -1.5277 -1.5277 -1.4598 -1.4598 1.6360 1.6360 1.6502 1.6502 1.9819 1.9819 2.2937 2.2937 2.5119 2.5119 4.2503 4.2503 4.3484 4.3484 4.5895 4.5895 7.4210 7.4210 7.7192 7.7192 8.3636 8.3636 9.5112 9.5112 10.6306 10.6306 11.3028 11.3028 12.0539 12.0539 13.0151 13.0151 13.2299 13.2299 k = 0.1102 0.1102-0.0000 ( 3761 PWs) bands (ev): -31.0851 -31.0851 -31.0718 -31.0718 -12.5459 -12.5459 -12.3859 -12.3859 -12.1186 -12.1186 -12.0278 -12.0278 -11.9923 -11.9923 -11.9525 -11.9525 -6.9402 -6.9402 -6.5042 -6.5042 -1.4534 -1.4534 -1.3908 -1.3908 1.5716 1.5716 1.5736 1.5736 2.0299 2.0299 2.3378 2.3378 2.4752 2.4752 4.2374 4.2374 4.2912 4.2912 4.5062 4.5062 7.4753 7.4753 7.7696 7.7696 8.4052 8.4052 9.6208 9.6208 10.5933 10.5933 11.4036 11.4036 12.0160 12.0160 13.0160 13.0160 13.1648 13.1648 k = 0.1017 0.1017-0.0000 ( 3769 PWs) bands (ev): -31.0853 -31.0853 -31.0721 -31.0721 -12.5475 -12.5475 -12.3845 -12.3845 -12.1175 -12.1175 -12.0270 -12.0270 -11.9893 -11.9893 -11.9504 -11.9504 -6.9600 -6.9600 -6.5136 -6.5136 -1.3800 -1.3800 -1.3226 -1.3226 1.4915 1.4915 1.4994 1.4994 2.0933 2.0933 2.3866 2.3866 2.4410 2.4410 4.2250 4.2250 4.2306 4.2306 4.4185 4.4185 7.5306 7.5306 7.8226 7.8226 8.4460 8.4460 9.7309 9.7309 10.5591 10.5591 11.4997 11.4997 11.9762 11.9762 13.0177 13.0177 13.1043 13.1043 k = 0.0932 0.0932-0.0000 ( 3775 PWs) bands (ev): -31.0856 -31.0856 -31.0723 -31.0723 -12.5490 -12.5490 -12.3833 -12.3833 -12.1164 -12.1164 -12.0263 -12.0263 -11.9865 -11.9865 -11.9484 -11.9484 -6.9784 -6.9784 -6.5222 -6.5222 -1.3078 -1.3078 -1.2554 -1.2554 1.4115 1.4115 1.4215 1.4215 2.1646 2.1646 2.4093 2.4093 2.4386 2.4386 4.1656 4.1656 4.2149 4.2149 4.3273 4.3273 7.5855 7.5855 7.8770 7.8770 8.4857 8.4857 9.8412 9.8412 10.5280 10.5280 11.5891 11.5891 11.9354 11.9354 13.0201 13.0202 13.0484 13.0484 k = 0.0847 0.0847-0.0000 ( 3773 PWs) bands (ev): -31.0859 -31.0859 -31.0726 -31.0726 -12.5503 -12.5503 -12.3822 -12.3822 -12.1154 -12.1154 -12.0256 -12.0256 -11.9839 -11.9839 -11.9466 -11.9466 -6.9953 -6.9953 -6.5301 -6.5301 -1.2373 -1.2373 -1.1898 -1.1898 1.3330 1.3330 1.3432 1.3432 2.2406 2.2406 2.3803 2.3803 2.4929 2.4929 4.0992 4.0992 4.2048 4.2048 4.2339 4.2339 7.6390 7.6390 7.9316 7.9316 8.5239 8.5239 9.9515 9.9515 10.5001 10.5001 11.6692 11.6692 11.8944 11.8944 12.9721 12.9722 12.9975 12.9975 k = 0.0763 0.0763-0.0000 ( 3773 PWs) bands (ev): -31.0861 -31.0861 -31.0728 -31.0728 -12.5516 -12.5516 -12.3811 -12.3811 -12.1145 -12.1145 -12.0249 -12.0249 -11.9814 -11.9814 -11.9449 -11.9449 -7.0108 -7.0108 -6.5372 -6.5372 -1.1690 -1.1690 -1.1262 -1.1262 1.2569 1.2569 1.2665 1.2665 2.3196 2.3196 2.3539 2.3539 2.5487 2.5487 4.0314 4.0314 4.1381 4.1381 4.1964 4.1964 7.6899 7.6899 7.9852 7.9852 8.5603 8.5603 10.0614 10.0614 10.4751 10.4751 11.7366 11.7366 11.8540 11.8540 12.8897 12.8897 12.9515 12.9515 k = 0.0678 0.0678-0.0000 ( 3765 PWs) bands (ev): -31.0863 -31.0863 -31.0730 -31.0730 -12.5527 -12.5527 -12.3802 -12.3802 -12.1136 -12.1136 -12.0242 -12.0242 -11.9793 -11.9793 -11.9433 -11.9433 -7.0246 -7.0246 -6.5435 -6.5435 -1.1036 -1.1036 -1.0652 -1.0652 1.1843 1.1843 1.1929 1.1929 2.3301 2.3301 2.4008 2.4008 2.6055 2.6055 3.9631 3.9631 4.0421 4.0421 4.1884 4.1884 7.7375 7.7375 8.0366 8.0366 8.5944 8.5944 10.1703 10.1703 10.4531 10.4531 11.7872 11.7872 11.8153 11.8153 12.8202 12.8202 12.9105 12.9105 k = 0.0593 0.0593-0.0000 ( 3761 PWs) bands (ev): -31.0865 -31.0865 -31.0731 -31.0731 -12.5537 -12.5537 -12.3794 -12.3794 -12.1128 -12.1128 -12.0237 -12.0237 -11.9773 -11.9773 -11.9419 -11.9419 -7.0370 -7.0370 -6.5491 -6.5491 -1.0419 -1.0419 -1.0077 -1.0077 1.1160 1.1160 1.1234 1.1234 2.3091 2.3091 2.4833 2.4833 2.6624 2.6624 3.8953 3.8953 3.9459 3.9459 4.1814 4.1814 7.7809 7.7809 8.0848 8.0848 8.6258 8.6258 10.2774 10.2774 10.4340 10.4340 11.7784 11.7784 11.8170 11.8170 12.7678 12.7678 12.8744 12.8745 k = 0.0508 0.0508-0.0000 ( 3759 PWs) bands (ev): -31.0867 -31.0867 -31.0733 -31.0733 -12.5546 -12.5546 -12.3786 -12.3786 -12.1121 -12.1121 -12.0232 -12.0232 -11.9756 -11.9756 -11.9407 -11.9407 -7.0477 -7.0477 -6.5539 -6.5539 -0.9847 -0.9847 -0.9543 -0.9543 1.0531 1.0531 1.0592 1.0592 2.2908 2.2908 2.5664 2.5664 2.7188 2.7188 3.8290 3.8290 3.8507 3.8507 4.1754 4.1754 7.8197 7.8197 8.1288 8.1288 8.6541 8.6541 10.3818 10.3818 10.4178 10.4178 11.7449 11.7449 11.8229 11.8229 12.7353 12.7353 12.8433 12.8433 k = 0.0424 0.0424-0.0000 ( 3759 PWs) bands (ev): -31.0868 -31.0868 -31.0734 -31.0734 -12.5554 -12.5554 -12.3780 -12.3780 -12.1115 -12.1115 -12.0228 -12.0228 -11.9741 -11.9741 -11.9397 -11.9397 -7.0568 -7.0568 -6.5580 -6.5580 -0.9331 -0.9331 -0.9063 -0.9063 0.9968 0.9968 1.0015 1.0015 2.2753 2.2753 2.6492 2.6492 2.7734 2.7734 3.7574 3.7574 3.7656 3.7656 4.1703 4.1703 7.8533 7.8533 8.1677 8.1677 8.6789 8.6789 10.4041 10.4041 10.4818 10.4818 11.7152 11.7152 11.8060 11.8060 12.7220 12.7220 12.8171 12.8171 k = 0.0339 0.0339-0.0000 ( 3765 PWs) bands (ev): -31.0869 -31.0869 -31.0735 -31.0735 -12.5560 -12.5560 -12.3776 -12.3776 -12.1110 -12.1110 -12.0224 -12.0224 -11.9729 -11.9729 -11.9389 -11.9389 -7.0643 -7.0643 -6.5614 -6.5614 -0.8883 -0.8883 -0.8646 -0.8646 0.9482 0.9482 0.9518 0.9518 2.2626 2.2626 2.7300 2.7300 2.8246 2.8246 3.6677 3.6677 3.7069 3.7069 4.1661 4.1661 7.8812 7.8812 8.2007 8.2007 8.6998 8.6998 10.3931 10.3931 10.5750 10.5750 11.6898 11.6898 11.7716 11.7716 12.7235 12.7235 12.7958 12.7958 k = 0.0254 0.0254-0.0000 ( 3765 PWs) bands (ev): -31.0870 -31.0870 -31.0736 -31.0736 -12.5565 -12.5565 -12.3772 -12.3772 -12.1106 -12.1106 -12.0221 -12.0221 -11.9720 -11.9720 -11.9382 -11.9382 -7.0701 -7.0701 -6.5640 -6.5640 -0.8517 -0.8517 -0.8305 -0.8305 0.9085 0.9085 0.9113 0.9113 2.2527 2.2527 2.8063 2.8063 2.8704 2.8704 3.5845 3.5845 3.6552 3.6552 4.1629 4.1629 7.9033 7.9033 8.2271 8.2271 8.7165 8.7165 10.3847 10.3847 10.6578 10.6578 11.6695 11.6695 11.7282 11.7282 12.7334 12.7334 12.7793 12.7793 k = 0.0169 0.0169-0.0000 ( 3771 PWs) bands (ev): -31.0871 -31.0871 -31.0737 -31.0737 -12.5569 -12.5569 -12.3769 -12.3769 -12.1104 -12.1104 -12.0220 -12.0220 -11.9713 -11.9713 -11.9377 -11.9377 -7.0743 -7.0743 -6.5658 -6.5658 -0.8244 -0.8244 -0.8051 -0.8051 0.8790 0.8790 0.8813 0.8813 2.2456 2.2456 2.8732 2.8732 2.9075 2.9075 3.5125 3.5125 3.6137 3.6137 4.1606 4.1606 7.9192 7.9192 8.2464 8.2464 8.7287 8.7287 10.3787 10.3787 10.7251 10.7251 11.6546 11.6546 11.6857 11.6857 12.7453 12.7453 12.7676 12.7676 k = 0.0085 0.0085-0.0000 ( 3775 PWs) bands (ev): -31.0871 -31.0871 -31.0737 -31.0737 -12.5571 -12.5571 -12.3768 -12.3768 -12.1102 -12.1102 -12.0218 -12.0218 -11.9709 -11.9709 -11.9375 -11.9375 -7.0768 -7.0768 -6.5669 -6.5669 -0.8075 -0.8075 -0.7894 -0.7894 0.8608 0.8608 0.8629 0.8629 2.2413 2.2413 2.9219 2.9219 2.9324 2.9324 3.4606 3.4606 3.5865 3.5865 4.1593 4.1593 7.9288 7.9288 8.2581 8.2581 8.7360 8.7360 10.3752 10.3752 10.7700 10.7700 11.6453 11.6453 11.6544 11.6544 12.7540 12.7540 12.7610 12.7610 k = 0.0000 0.0000 0.0000 ( 3775 PWs) bands (ev): -31.0871 -31.0871 -31.0737 -31.0737 -12.5572 -12.5572 -12.3767 -12.3767 -12.1102 -12.1102 -12.0218 -12.0218 -11.9708 -11.9708 -11.9374 -11.9374 -7.0777 -7.0777 -6.5673 -6.5673 -0.8018 -0.8018 -0.7841 -0.7841 0.8546 0.8546 0.8567 0.8567 2.2399 2.2399 2.9389 2.9389 2.9426 2.9426 3.4410 3.4410 3.5769 3.5769 4.1588 4.1588 7.9320 7.9320 8.2620 8.2620 8.7385 8.7385 10.3740 10.3740 10.7860 10.7860 11.6411 11.6411 11.6439 11.6439 12.7559 12.7559 12.7601 12.7601 k = 0.0000 0.0000 0.0000 ( 3775 PWs) bands (ev): -31.0871 -31.0871 -31.0737 -31.0737 -12.5572 -12.5572 -12.3767 -12.3767 -12.1102 -12.1102 -12.0218 -12.0218 -11.9708 -11.9708 -11.9374 -11.9374 -7.0777 -7.0777 -6.5673 -6.5673 -0.8018 -0.8018 -0.7841 -0.7841 0.8546 0.8546 0.8567 0.8567 2.2399 2.2399 2.9389 2.9389 2.9426 2.9426 3.4410 3.4410 3.5769 3.5769 4.1588 4.1588 7.9320 7.9320 8.2620 8.2620 8.7385 8.7385 10.3740 10.3740 10.7860 10.7860 11.6411 11.6411 11.6439 11.6439 12.7559 12.7559 12.7601 12.7601 k = 0.0000 0.0000 0.0117 ( 3775 PWs) bands (ev): -31.0871 -31.0871 -31.0737 -31.0737 -12.5569 -12.5569 -12.3769 -12.3769 -12.1101 -12.1101 -12.0220 -12.0220 -11.9708 -11.9708 -11.9374 -11.9374 -7.0770 -7.0770 -6.5680 -6.5680 -0.8018 -0.8018 -0.7841 -0.7841 0.8546 0.8546 0.8567 0.8567 2.2417 2.2417 2.9389 2.9389 2.9426 2.9426 3.4399 3.4399 3.5772 3.5772 4.1574 4.1574 7.9324 7.9324 8.2615 8.2615 8.7382 8.7382 10.3798 10.3798 10.7792 10.7792 11.6410 11.6410 11.6438 11.6438 12.7526 12.7526 12.7567 12.7567 k = 0.0000 0.0000 0.0233 ( 3775 PWs) bands (ev): -31.0870 -31.0870 -31.0738 -31.0738 -12.5561 -12.5561 -12.3773 -12.3773 -12.1100 -12.1100 -12.0227 -12.0227 -11.9706 -11.9706 -11.9376 -11.9376 -7.0751 -7.0751 -6.5699 -6.5699 -0.8019 -0.8019 -0.7844 -0.7844 0.8547 0.8547 0.8568 0.8568 2.2469 2.2469 2.9389 2.9389 2.9425 2.9425 3.4365 3.4365 3.5781 3.5781 4.1533 4.1533 7.9335 7.9335 8.2602 8.2602 8.7375 8.7375 10.3971 10.3971 10.7592 10.7592 11.6406 11.6406 11.6434 11.6434 12.7428 12.7428 12.7469 12.7469 k = 0.0000 0.0000 0.0350 ( 3775 PWs) bands (ev): -31.0870 -31.0870 -31.0739 -31.0739 -12.5547 -12.5547 -12.3781 -12.3781 -12.1099 -12.1099 -12.0237 -12.0237 -11.9704 -11.9704 -11.9378 -11.9378 -7.0718 -7.0718 -6.5732 -6.5732 -0.8019 -0.8019 -0.7847 -0.7847 0.8548 0.8548 0.8569 0.8569 2.2557 2.2557 2.9388 2.9388 2.9424 2.9424 3.4310 3.4310 3.5796 3.5796 4.1465 4.1465 7.9354 7.9354 8.2578 8.2578 8.7366 8.7366 10.4254 10.4254 10.7267 10.7267 11.6400 11.6400 11.6427 11.6427 12.7273 12.7273 12.7313 12.7313 k = 0.0000 0.0000 0.0466 ( 3786 PWs) bands (ev): -31.0869 -31.0869 -31.0740 -31.0740 -12.5528 -12.5528 -12.3792 -12.3792 -12.1096 -12.1096 -12.0253 -12.0253 -11.9702 -11.9702 -11.9381 -11.9381 -7.0673 -7.0673 -6.5777 -6.5777 -0.8020 -0.8020 -0.7853 -0.7853 0.8549 0.8549 0.8570 0.8570 2.2678 2.2678 2.9387 2.9387 2.9422 2.9422 3.4232 3.4232 3.5817 3.5817 4.1370 4.1370 7.9381 7.9381 8.2546 8.2546 8.7360 8.7360 10.4642 10.4642 10.6829 10.6829 11.6392 11.6392 11.6419 11.6419 12.7073 12.7073 12.7111 12.7111 k = 0.0000 0.0000 0.0583 ( 3782 PWs) bands (ev): -31.0867 -31.0867 -31.0741 -31.0741 -12.5503 -12.5503 -12.3806 -12.3806 -12.1092 -12.1092 -12.0272 -12.0272 -11.9698 -11.9698 -11.9384 -11.9384 -7.0616 -7.0616 -6.5835 -6.5835 -0.8021 -0.8021 -0.7859 -0.7859 0.8551 0.8551 0.8571 0.8571 2.2834 2.2834 2.9386 2.9386 2.9421 2.9421 3.4132 3.4132 3.5844 3.5844 4.1251 4.1251 7.9415 7.9415 8.2505 8.2505 8.7363 8.7363 10.5127 10.5127 10.6293 10.6293 11.6381 11.6381 11.6407 11.6407 12.6838 12.6838 12.6875 12.6875 k = 0.0000 0.0000 0.0699 ( 3770 PWs) bands (ev): -31.0865 -31.0865 -31.0743 -31.0743 -12.5472 -12.5472 -12.3822 -12.3822 -12.1088 -12.1088 -12.0294 -12.0294 -11.9693 -11.9693 -11.9388 -11.9388 -7.0546 -7.0546 -6.5906 -6.5906 -0.8022 -0.8022 -0.7867 -0.7867 0.8553 0.8553 0.8573 0.8573 2.3022 2.3022 2.9385 2.9385 2.9419 2.9419 3.4009 3.4009 3.5878 3.5878 4.1107 4.1107 7.9456 7.9456 8.2456 8.2456 8.7382 8.7382 10.5673 10.5673 10.5703 10.5703 11.6369 11.6369 11.6395 11.6395 12.6581 12.6581 12.6615 12.6615 k = 0.0000 0.0000 0.0816 ( 3770 PWs) bands (ev): -31.0863 -31.0863 -31.0745 -31.0745 -12.5437 -12.5437 -12.3842 -12.3842 -12.1083 -12.1083 -12.0320 -12.0320 -11.9687 -11.9687 -11.9394 -11.9394 -7.0465 -7.0465 -6.5988 -6.5988 -0.8024 -0.8024 -0.7875 -0.7875 0.8556 0.8556 0.8575 0.8575 2.3241 2.3241 2.9384 2.9384 2.9416 2.9416 3.3864 3.3864 3.5919 3.5919 4.0942 4.0942 7.9504 7.9504 8.2398 8.2398 8.7423 8.7423 10.4984 10.4984 10.6360 10.6360 11.6356 11.6356 11.6380 11.6380 12.6310 12.6310 12.6343 12.6343 k = 0.0000 0.0000 0.0932 ( 3782 PWs) bands (ev): -31.0861 -31.0861 -31.0748 -31.0748 -12.5398 -12.5398 -12.3865 -12.3865 -12.1078 -12.1078 -12.0349 -12.0349 -11.9681 -11.9681 -11.9400 -11.9400 -7.0372 -7.0372 -6.6081 -6.6081 -0.8025 -0.8025 -0.7885 -0.7885 0.8558 0.8558 0.8576 0.8576 2.3491 2.3491 2.9383 2.9383 2.9414 2.9414 3.3697 3.3697 3.5966 3.5966 4.0756 4.0756 7.9559 7.9559 8.2333 8.2333 8.7491 8.7491 10.4239 10.4239 10.7090 10.7090 11.6341 11.6341 11.6364 11.6364 12.6034 12.6034 12.6064 12.6064 k = 0.0000 0.0000 0.1049 ( 3782 PWs) bands (ev): -31.0858 -31.0858 -31.0751 -31.0751 -12.5354 -12.5354 -12.3892 -12.3892 -12.1071 -12.1071 -12.0381 -12.0381 -11.9674 -11.9674 -11.9407 -11.9407 -7.0268 -7.0268 -6.6186 -6.6186 -0.8027 -0.8027 -0.7895 -0.7895 0.8561 0.8561 0.8579 0.8579 2.3770 2.3770 2.9381 2.9381 2.9411 2.9411 3.3507 3.3507 3.6021 3.6021 4.0552 4.0552 7.9621 7.9621 8.2260 8.2260 8.7592 8.7592 10.3453 10.3453 10.7885 10.7885 11.6325 11.6325 11.6347 11.6347 12.5759 12.5759 12.5787 12.5787 k = 0.0000 0.0000 0.1165 ( 3782 PWs) bands (ev): -31.0855 -31.0855 -31.0754 -31.0754 -12.5305 -12.5305 -12.3922 -12.3922 -12.1063 -12.1063 -12.0415 -12.0415 -11.9667 -11.9667 -11.9415 -11.9415 -7.0153 -7.0153 -6.6301 -6.6301 -0.8028 -0.8028 -0.7906 -0.7906 0.8565 0.8565 0.8581 0.8581 2.4076 2.4076 2.9380 2.9380 2.9408 2.9408 3.3294 3.3294 3.6083 3.6083 4.0333 4.0333 7.9690 7.9690 8.2180 8.2180 8.7731 8.7731 10.2634 10.2634 10.8736 10.8736 11.6309 11.6309 11.6330 11.6330 12.5491 12.5491 12.5517 12.5517 k = 0.0000 0.0000 0.1282 ( 3798 PWs) bands (ev): -31.0852 -31.0852 -31.0757 -31.0757 -12.5253 -12.5253 -12.3956 -12.3956 -12.1054 -12.1054 -12.0451 -12.0451 -11.9659 -11.9659 -11.9423 -11.9423 -7.0029 -7.0029 -6.6426 -6.6426 -0.8029 -0.8029 -0.7917 -0.7917 0.8568 0.8568 0.8583 0.8583 2.4408 2.4408 2.9378 2.9378 2.9404 2.9404 3.3057 3.3057 3.6152 3.6152 4.0101 4.0101 7.9765 7.9765 8.2094 8.2094 8.7911 8.7911 10.1793 10.1793 10.9637 10.9637 11.6292 11.6292 11.6312 11.6312 12.5233 12.5233 12.5257 12.5257 k = 0.0000 0.0000 0.1398 ( 3798 PWs) bands (ev): -31.0848 -31.0848 -31.0760 -31.0760 -12.5197 -12.5197 -12.3993 -12.3993 -12.1043 -12.1043 -12.0488 -12.0488 -11.9650 -11.9650 -11.9432 -11.9432 -6.9896 -6.9896 -6.6559 -6.6559 -0.8031 -0.8031 -0.7928 -0.7928 0.8571 0.8571 0.8585 0.8585 2.4763 2.4763 2.9377 2.9377 2.9401 2.9401 3.2798 3.2798 3.6230 3.6230 3.9861 3.9861 7.9845 7.9845 8.2001 8.2001 8.8135 8.8135 10.0939 10.0939 11.0581 11.0581 11.6276 11.6276 11.6294 11.6294 12.4990 12.4990 12.5012 12.5012 k = 0.0000 0.0000 0.1515 ( 3794 PWs) bands (ev): -31.0844 -31.0844 -31.0764 -31.0764 -12.5138 -12.5138 -12.4034 -12.4034 -12.1031 -12.1031 -12.0525 -12.0525 -11.9641 -11.9641 -11.9441 -11.9441 -6.9755 -6.9755 -6.6701 -6.6701 -0.8031 -0.8031 -0.7939 -0.7939 0.8574 0.8574 0.8587 0.8587 2.5139 2.5139 2.9376 2.9376 2.9398 2.9398 3.2516 3.2516 3.6317 3.6317 3.9614 3.9614 7.9931 7.9931 8.1904 8.1904 8.8405 8.8405 10.0077 10.0077 11.1563 11.1563 11.6260 11.6260 11.6277 11.6277 12.4764 12.4764 12.4783 12.4783 k = 0.0000 0.0000 0.1631 ( 3794 PWs) bands (ev): -31.0840 -31.0840 -31.0768 -31.0768 -12.5077 -12.5077 -12.4077 -12.4077 -12.1018 -12.1018 -12.0563 -12.0563 -11.9631 -11.9631 -11.9451 -11.9451 -6.9605 -6.9605 -6.6851 -6.6851 -0.8032 -0.8032 -0.7950 -0.7950 0.8577 0.8577 0.8589 0.8589 2.5535 2.5535 2.9375 2.9375 2.9395 2.9395 3.2211 3.2211 3.6412 3.6412 3.9364 3.9364 8.0023 8.0023 8.1802 8.1802 8.8721 8.8721 9.9216 9.9216 11.2577 11.2577 11.6245 11.6245 11.6260 11.6260 12.4556 12.4556 12.4574 12.4574 k = 0.0000 0.0000 0.1748 ( 3786 PWs) bands (ev): -31.0836 -31.0836 -31.0772 -31.0772 -12.5012 -12.5012 -12.4124 -12.4124 -12.1002 -12.1002 -12.0602 -12.0602 -11.9621 -11.9621 -11.9461 -11.9461 -6.9449 -6.9449 -6.7008 -6.7008 -0.8032 -0.8032 -0.7960 -0.7960 0.8581 0.8581 0.8591 0.8591 2.5948 2.5948 2.9374 2.9374 2.9392 2.9392 3.1883 3.1883 3.6517 3.6517 3.9113 3.9113 8.0119 8.0119 8.1696 8.1696 8.9085 8.9085 9.8360 9.8360 11.3618 11.3618 11.6231 11.6231 11.6244 11.6244 12.4370 12.4370 12.4386 12.4386 k = 0.0000 0.0000 0.1864 ( 3778 PWs) bands (ev): -31.0832 -31.0832 -31.0776 -31.0776 -12.4945 -12.4945 -12.4175 -12.4175 -12.0985 -12.0985 -12.0640 -12.0640 -11.9610 -11.9610 -11.9472 -11.9472 -6.9287 -6.9287 -6.7171 -6.7171 -0.8031 -0.8031 -0.7970 -0.7970 0.8583 0.8583 0.8593 0.8593 2.6374 2.6374 2.9373 2.9373 2.9389 2.9389 3.1533 3.1533 3.6631 3.6631 3.8866 3.8866 8.0219 8.0219 8.1586 8.1586 8.9496 8.9496 9.7515 9.7515 11.4680 11.4680 11.6219 11.6219 11.6230 11.6230 12.4206 12.4206 12.4220 12.4220 k = 0.0000 0.0000 0.1981 ( 3782 PWs) bands (ev): -31.0828 -31.0828 -31.0781 -31.0781 -12.4878 -12.4878 -12.4229 -12.4229 -12.0967 -12.0967 -12.0677 -12.0677 -11.9599 -11.9599 -11.9483 -11.9483 -6.9119 -6.9119 -6.7339 -6.7339 -0.8031 -0.8031 -0.7979 -0.7979 0.8586 0.8586 0.8594 0.8594 2.6812 2.6812 2.9373 2.9373 2.9386 2.9386 3.1163 3.1163 3.6756 3.6756 3.8624 3.8624 8.0324 8.0324 8.1473 8.1473 8.9954 8.9954 9.6684 9.6684 11.5760 11.5760 11.6208 11.6208 11.6218 11.6218 12.4066 12.4066 12.4077 12.4077 k = 0.0000 0.0000 0.2097 ( 3782 PWs) bands (ev): -31.0823 -31.0823 -31.0785 -31.0785 -12.4809 -12.4809 -12.4286 -12.4286 -12.0946 -12.0946 -12.0713 -12.0713 -11.9588 -11.9588 -11.9495 -11.9495 -6.8946 -6.8946 -6.7512 -6.7512 -0.8029 -0.8029 -0.7988 -0.7988 0.8588 0.8588 0.8595 0.8595 2.7258 2.7258 2.9372 2.9372 2.9384 2.9384 3.0774 3.0774 3.6891 3.6891 3.8388 3.8388 8.0432 8.0432 8.1358 8.1358 9.0457 9.0457 9.5873 9.5873 11.6199 11.6199 11.6205 11.6205 11.6857 11.6857 12.3949 12.3949 12.3959 12.3959 k = 0.0000 0.0000 0.2214 ( 3782 PWs) bands (ev): -31.0818 -31.0818 -31.0790 -31.0790 -12.4741 -12.4741 -12.4345 -12.4345 -12.0924 -12.0924 -12.0748 -12.0748 -11.9576 -11.9576 -11.9506 -11.9506 -6.8770 -6.8770 -6.7688 -6.7688 -0.8027 -0.8027 -0.7996 -0.7996 0.8590 0.8590 0.8595 0.8595 2.7710 2.7710 2.9372 2.9372 2.9382 2.9382 3.0368 3.0368 3.7038 3.7038 3.8162 3.8162 8.0543 8.0543 8.1242 8.1242 9.1003 9.1003 9.5084 9.5084 11.6192 11.6192 11.6197 11.6197 11.7962 11.7962 12.3858 12.3858 12.3866 12.3866 k = 0.0000 0.0000 0.2330 ( 3774 PWs) bands (ev): -31.0814 -31.0814 -31.0795 -31.0795 -12.4672 -12.4672 -12.4406 -12.4406 -12.0900 -12.0900 -12.0782 -12.0782 -11.9564 -11.9564 -11.9518 -11.9518 -6.8592 -6.8592 -6.7867 -6.7867 -0.8024 -0.8024 -0.8003 -0.8003 0.8592 0.8592 0.8596 0.8596 2.8165 2.8165 2.9373 2.9373 2.9380 2.9380 2.9947 2.9947 3.7196 3.7196 3.7946 3.7946 8.0656 8.0656 8.1124 8.1124 9.1592 9.1592 9.4321 9.4321 11.6187 11.6187 11.6191 11.6191 11.9074 11.9074 12.3506 12.3506 12.3797 12.3797 k = 0.0000 0.0000 0.2447 ( 3758 PWs) bands (ev): -31.0809 -31.0809 -31.0799 -31.0799 -12.4604 -12.4604 -12.4470 -12.4470 -12.0873 -12.0873 -12.0813 -12.0813 -11.9552 -11.9552 -11.9529 -11.9529 -6.8411 -6.8411 -6.8048 -6.8048 -0.8020 -0.8020 -0.8009 -0.8009 0.8593 0.8593 0.8596 0.8596 2.8619 2.8619 2.9371 2.9371 2.9378 2.9378 2.9515 2.9515 3.7366 3.7366 3.7741 3.7741 8.0772 8.0772 8.1006 8.1006 9.2220 9.2220 9.3588 9.3588 11.6184 11.6184 11.6186 11.6186 12.0188 12.0188 12.2409 12.2409 12.3757 12.3759 k = 0.0000 0.0000 0.2563 ( 3782 PWs) bands (ev): -31.0804 -31.0804 -31.0804 -31.0804 -12.4537 -12.4537 -12.4537 -12.4537 -12.0845 -12.0845 -12.0845 -12.0845 -11.9541 -11.9541 -11.9541 -11.9541 -6.8231 -6.8231 -6.8229 -6.8229 -0.8017 -0.8017 -0.8013 -0.8013 0.8594 0.8594 0.8596 0.8596 2.9068 2.9068 2.9069 2.9069 2.9375 2.9375 2.9379 2.9379 3.7547 3.7547 3.7548 3.7548 8.0887 8.0887 8.0890 8.0890 9.2886 9.2886 9.2887 9.2887 11.6184 11.6184 11.6184 11.6184 12.1301 12.1301 12.1301 12.1301 12.3743 12.3744 k = 0.0000 0.0000 0.2563 ( 3782 PWs) bands (ev): -31.0804 -31.0804 -31.0804 -31.0804 -12.4537 -12.4537 -12.4537 -12.4537 -12.0845 -12.0845 -12.0845 -12.0845 -11.9541 -11.9541 -11.9541 -11.9541 -6.8231 -6.8231 -6.8229 -6.8229 -0.8017 -0.8017 -0.8013 -0.8013 0.8594 0.8594 0.8596 0.8596 2.9068 2.9068 2.9069 2.9069 2.9375 2.9375 2.9379 2.9379 3.7547 3.7547 3.7548 3.7548 8.0887 8.0887 8.0890 8.0890 9.2886 9.2886 9.2887 9.2887 11.6184 11.6184 11.6184 11.6184 12.1301 12.1301 12.1301 12.1301 12.3743 12.3743 k = 0.0000 0.0119 0.2563 ( 3770 PWs) bands (ev): -31.0804 -31.0804 -31.0804 -31.0804 -12.4541 -12.4541 -12.4532 -12.4532 -12.0850 -12.0850 -12.0840 -12.0840 -11.9542 -11.9542 -11.9542 -11.9542 -6.8225 -6.8225 -6.8222 -6.8222 -0.8125 -0.8125 -0.8012 -0.8012 0.8602 0.8602 0.8706 0.8706 2.8440 2.8440 2.9081 2.9081 2.9380 2.9380 2.9897 2.9897 3.7546 3.7546 3.7678 3.7678 8.0849 8.0849 8.0856 8.0856 9.2831 9.2831 9.2868 9.2868 11.6186 11.6186 11.6205 11.6205 12.1286 12.1286 12.1323 12.1323 12.3769 12.3769 k = 0.0000 0.0238 0.2563 ( 3776 PWs) bands (ev): -31.0804 -31.0804 -31.0804 -31.0804 -12.4545 -12.4545 -12.4528 -12.4528 -12.0856 -12.0856 -12.0836 -12.0836 -11.9546 -11.9546 -11.9545 -11.9545 -6.8215 -6.8215 -6.8196 -6.8196 -0.8441 -0.8441 -0.8007 -0.8007 0.8622 0.8622 0.9035 0.9035 2.7589 2.7589 2.9116 2.9116 2.9402 2.9402 3.0432 3.0432 3.7546 3.7546 3.8056 3.8056 8.0725 8.0725 8.0762 8.0762 9.2670 9.2670 9.2809 9.2809 11.6190 11.6190 11.6267 11.6267 12.1250 12.1250 12.1386 12.1386 12.3848 12.3848 k = 0.0000 0.0357 0.2563 ( 3772 PWs) bands (ev): -31.0803 -31.0803 -31.0803 -31.0803 -12.4548 -12.4548 -12.4523 -12.4523 -12.0864 -12.0864 -12.0834 -12.0834 -11.9551 -11.9551 -11.9550 -11.9550 -6.8199 -6.8199 -6.8152 -6.8152 -0.8942 -0.8942 -0.8000 -0.8000 0.8654 0.8654 0.9556 0.9556 2.6661 2.6661 2.9175 2.9175 2.9438 2.9438 3.0871 3.0871 3.7545 3.7545 3.8649 3.8649 8.0522 8.0522 8.0606 8.0606 9.2404 9.2404 9.2712 9.2712 11.6198 11.6198 11.6370 11.6370 12.1200 12.1200 12.1490 12.1490 12.3975 12.3975 k = 0.0000 0.0476 0.2563 ( 3772 PWs) bands (ev): -31.0802 -31.0802 -31.0802 -31.0802 -12.4552 -12.4552 -12.4518 -12.4518 -12.0872 -12.0872 -12.0832 -12.0832 -11.9559 -11.9559 -11.9557 -11.9557 -6.8175 -6.8175 -6.8091 -6.8091 -0.9596 -0.9596 -0.7990 -0.7990 0.8699 0.8699 1.0240 1.0240 2.5681 2.5681 2.9256 2.9256 2.9488 2.9488 3.1233 3.1233 3.7543 3.7543 3.9411 3.9411 8.0241 8.0241 8.0390 8.0390 9.2038 9.2038 9.2578 9.2578 11.6207 11.6207 11.6513 11.6513 12.1148 12.1148 12.1630 12.1630 12.4148 12.4148 k = 0.0000 0.0595 0.2563 ( 3772 PWs) bands (ev): -31.0801 -31.0801 -31.0801 -31.0801 -12.4555 -12.4555 -12.4512 -12.4512 -12.0882 -12.0882 -12.0832 -12.0832 -11.9569 -11.9569 -11.9566 -11.9566 -6.8145 -6.8145 -6.8013 -6.8013 -1.0374 -1.0374 -0.7976 -0.7976 0.8757 0.8757 1.1054 1.1054 2.4667 2.4667 2.9360 2.9360 2.9552 2.9552 3.1543 3.1543 3.7541 3.7541 4.0301 4.0301 7.9888 7.9888 8.0117 8.0117 9.1578 9.1578 9.2408 9.2408 11.6217 11.6217 11.6695 11.6695 12.1104 12.1104 12.1803 12.1803 12.4361 12.4361 k = 0.0000 0.0714 0.2563 ( 3768 PWs) bands (ev): -31.0800 -31.0800 -31.0800 -31.0800 -12.4558 -12.4558 -12.4507 -12.4507 -12.0893 -12.0893 -12.0832 -12.0832 -11.9581 -11.9581 -11.9576 -11.9576 -6.8109 -6.8109 -6.7918 -6.7918 -1.1246 -1.1246 -0.7960 -0.7960 0.8827 0.8827 1.1970 1.1970 2.3631 2.3631 2.9487 2.9487 2.9630 2.9630 3.1823 3.1823 3.7539 3.7539 4.1282 4.1282 7.9465 7.9465 7.9789 7.9789 9.1030 9.1030 9.2205 9.2205 11.6228 11.6228 11.6916 11.6916 12.1071 12.1071 12.2006 12.2006 12.4607 12.4607 k = 0.0000 0.0833 0.2563 ( 3776 PWs) bands (ev): -31.0798 -31.0798 -31.0798 -31.0798 -12.4561 -12.4561 -12.4502 -12.4502 -12.0905 -12.0905 -12.0834 -12.0834 -11.9594 -11.9594 -11.9589 -11.9589 -6.8067 -6.8067 -6.7805 -6.7805 -1.2190 -1.2190 -0.7941 -0.7941 0.8909 0.8909 1.2963 1.2963 2.2584 2.2584 2.9637 2.9637 2.9722 2.9722 3.2089 3.2089 3.7536 3.7536 4.2327 4.2327 7.8979 7.8979 7.9408 7.9408 9.0402 9.0402 9.1969 9.1969 11.6238 11.6238 11.7172 11.7172 12.1052 12.1052 12.2235 12.2235 12.4878 12.4878 k = 0.0000 0.0952 0.2563 ( 3780 PWs) bands (ev): -31.0797 -31.0797 -31.0797 -31.0797 -12.4564 -12.4564 -12.4496 -12.4496 -12.0919 -12.0919 -12.0836 -12.0836 -11.9610 -11.9610 -11.9602 -11.9602 -6.8019 -6.8019 -6.7676 -6.7676 -1.3187 -1.3187 -0.7919 -0.7919 0.9004 0.9004 1.4016 1.4016 2.1533 2.1533 2.9805 2.9805 2.9831 2.9831 3.2353 3.2353 3.7532 3.7532 4.3417 4.3417 7.8436 7.8436 7.8980 7.8980 8.9701 8.9701 9.1704 9.1704 11.6246 11.6246 11.7464 11.7464 12.1048 12.1048 12.2485 12.2485 12.5165 12.5165 k = 0.0000 0.1071 0.2563 ( 3788 PWs) bands (ev): -31.0795 -31.0795 -31.0795 -31.0795 -12.4567 -12.4567 -12.4491 -12.4491 -12.0934 -12.0934 -12.0840 -12.0840 -11.9626 -11.9626 -11.9617 -11.9617 -6.7965 -6.7965 -6.7530 -6.7530 -1.4223 -1.4223 -0.7893 -0.7893 0.9110 0.9110 1.5111 1.5111 2.0484 2.0484 2.9944 2.9944 3.0005 3.0005 3.2623 3.2623 3.7528 3.7528 4.4536 4.4536 7.7842 7.7842 7.8506 7.8506 8.8936 8.8936 9.1412 9.1412 11.6251 11.6251 11.7787 11.7787 12.1056 12.1056 12.2756 12.2756 12.5458 12.5458 k = 0.0000 0.1190 0.2563 ( 3788 PWs) bands (ev): -31.0793 -31.0793 -31.0793 -31.0793 -12.4570 -12.4570 -12.4485 -12.4485 -12.0950 -12.0950 -12.0845 -12.0845 -11.9643 -11.9643 -11.9632 -11.9632 -6.7906 -6.7906 -6.7367 -6.7367 -1.5286 -1.5286 -0.7865 -0.7865 0.9227 0.9227 1.6238 1.6238 1.9440 1.9440 3.0077 3.0077 3.0220 3.0220 3.2904 3.2904 3.7524 3.7524 4.5674 4.5674 7.7201 7.7201 7.7991 7.7991 8.8112 8.8112 9.1096 9.1096 11.6252 11.6252 11.8141 11.8141 12.1073 12.1073 12.3044 12.3044 12.5747 12.5747 k = 0.0000 0.1310 0.2563 ( 3788 PWs) bands (ev): -31.0791 -31.0791 -31.0790 -31.0790 -12.4573 -12.4573 -12.4480 -12.4480 -12.0968 -12.0968 -12.0851 -12.0851 -11.9661 -11.9661 -11.9648 -11.9648 -6.7841 -6.7841 -6.7187 -6.7187 -1.6368 -1.6368 -0.7834 -0.7834 0.9356 0.9356 1.7385 1.7385 1.8407 1.8407 3.0222 3.0222 3.0457 3.0457 3.3200 3.3200 3.7519 3.7519 4.6821 4.6821 7.6522 7.6522 7.7440 7.7440 8.7238 8.7238 9.0758 9.0758 11.6249 11.6249 11.8523 11.8523 12.1096 12.1096 12.3350 12.3350 12.6022 12.6022 k = 0.0000 0.1429 0.2563 ( 3782 PWs) bands (ev): -31.0788 -31.0788 -31.0788 -31.0788 -12.4576 -12.4576 -12.4475 -12.4475 -12.0987 -12.0987 -12.0858 -12.0858 -11.9679 -11.9679 -11.9664 -11.9664 -6.7772 -6.7772 -6.6991 -6.6991 -1.7461 -1.7461 -0.7800 -0.7800 0.9495 0.9495 1.7385 1.7385 1.8545 1.8545 3.0380 3.0380 3.0715 3.0715 3.3514 3.3514 3.7513 3.7513 4.7973 4.7973 7.5808 7.5808 7.6855 7.6855 8.6319 8.6319 9.0400 9.0400 11.6241 11.6241 11.8927 11.8927 12.1119 12.1119 12.3676 12.3676 12.6272 12.6272 k = 0.0000 0.1548 0.2563 ( 3790 PWs) bands (ev): -31.0786 -31.0786 -31.0785 -31.0785 -12.4579 -12.4579 -12.4470 -12.4470 -12.1007 -12.1007 -12.0867 -12.0867 -11.9698 -11.9698 -11.9680 -11.9680 -6.7699 -6.7699 -6.6780 -6.6780 -1.8562 -1.8562 -0.7763 -0.7763 0.9645 0.9645 1.6379 1.6379 1.9711 1.9711 3.0550 3.0550 3.0994 3.0994 3.3846 3.3846 3.7507 3.7507 4.9122 4.9122 7.5067 7.5067 7.6241 7.6241 8.5362 8.5362 9.0025 9.0025 11.6226 11.6226 11.9351 11.9351 12.1136 12.1136 12.4023 12.4023 12.6486 12.6486 k = 0.0000 0.1667 0.2563 ( 3794 PWs) bands (ev): -31.0783 -31.0783 -31.0782 -31.0782 -12.4583 -12.4583 -12.4465 -12.4465 -12.1029 -12.1029 -12.0877 -12.0877 -11.9717 -11.9717 -11.9697 -11.9697 -6.7621 -6.7621 -6.6552 -6.6552 -1.9664 -1.9664 -0.7723 -0.7723 0.9803 0.9803 1.5389 1.5389 2.0876 2.0876 3.0732 3.0732 3.1293 3.1293 3.4199 3.4199 3.7500 3.7500 5.0264 5.0264 7.4302 7.4302 7.5603 7.5603 8.4372 8.4372 8.9636 8.9636 11.6206 11.6206 11.9789 11.9789 12.1141 12.1141 12.4397 12.4397 12.6657 12.6657 k = 0.0000 0.1786 0.2563 ( 3794 PWs) bands (ev): -31.0780 -31.0780 -31.0780 -31.0780 -12.4586 -12.4586 -12.4461 -12.4461 -12.1052 -12.1052 -12.0888 -12.0888 -11.9735 -11.9735 -11.9713 -11.9713 -6.7540 -6.7540 -6.6309 -6.6309 -2.0765 -2.0765 -0.7679 -0.7679 0.9971 0.9971 1.4417 1.4417 2.2035 2.2035 3.0926 3.0926 3.1613 3.1613 3.4572 3.4572 3.7493 3.7493 5.1394 5.1394 7.3521 7.3521 7.4943 7.4943 8.3355 8.3355 8.9234 8.9234 11.6179 11.6179 12.0236 12.0236 12.1129 12.1129 12.4802 12.4802 12.6779 12.6779 k = 0.0000 0.1905 0.2563 ( 3794 PWs) bands (ev): -31.0777 -31.0777 -31.0777 -31.0777 -12.4590 -12.4590 -12.4457 -12.4457 -12.1076 -12.1076 -12.0900 -12.0900 -11.9753 -11.9753 -11.9728 -11.9728 -6.7456 -6.7456 -6.6050 -6.6050 -2.1861 -2.1861 -0.7633 -0.7633 1.0148 1.0148 1.3465 1.3465 2.3182 2.3182 3.1131 3.1131 3.1953 3.1953 3.4967 3.4967 3.7485 3.7485 5.2509 5.2509 7.2726 7.2726 7.4265 7.4265 8.2315 8.2315 8.8821 8.8821 11.6146 11.6146 12.0686 12.0686 12.1095 12.1095 12.5243 12.5243 12.6846 12.6846 k = 0.0000 0.2024 0.2563 ( 3786 PWs) bands (ev): -31.0774 -31.0774 -31.0773 -31.0773 -12.4594 -12.4594 -12.4454 -12.4454 -12.1101 -12.1101 -12.0914 -12.0914 -11.9769 -11.9769 -11.9743 -11.9743 -6.7369 -6.7369 -6.5777 -6.5777 -2.2950 -2.2950 -0.7583 -0.7583 1.0332 1.0332 1.2534 1.2534 2.4311 2.4311 3.1346 3.1346 3.2314 3.2314 3.5384 3.5384 3.7477 3.7477 5.3604 5.3604 7.1924 7.1924 7.3574 7.3574 8.1258 8.1258 8.8401 8.8401 11.6106 11.6106 12.1035 12.1035 12.1134 12.1134 12.5728 12.5728 12.6859 12.6859 k = 0.0000 0.2143 0.2563 ( 3776 PWs) bands (ev): -31.0771 -31.0771 -31.0770 -31.0770 -12.4599 -12.4599 -12.4451 -12.4451 -12.1127 -12.1127 -12.0928 -12.0928 -11.9785 -11.9785 -11.9757 -11.9757 -6.7280 -6.7280 -6.5490 -6.5490 -2.4030 -2.4030 -0.7530 -0.7530 1.0523 1.0523 1.1626 1.1626 2.5418 2.5418 3.1571 3.1571 3.2697 3.2697 3.5822 3.5822 3.7468 3.7468 5.4675 5.4675 7.1117 7.1117 7.2872 7.2872 8.0187 8.0187 8.7974 8.7974 11.6060 11.6060 12.0946 12.0946 12.1574 12.1574 12.6261 12.6261 12.6820 12.6820 k = 0.0000 0.2262 0.2563 ( 3772 PWs) bands (ev): -31.0768 -31.0768 -31.0767 -31.0767 -12.4603 -12.4603 -12.4449 -12.4449 -12.1154 -12.1154 -12.0944 -12.0944 -11.9800 -11.9800 -11.9770 -11.9770 -6.7189 -6.7189 -6.5188 -6.5188 -2.5098 -2.5098 -0.7473 -0.7473 1.0720 1.0720 1.0741 1.0741 2.6496 2.6496 3.1805 3.1805 3.3101 3.3101 3.6283 3.6283 3.7459 3.7459 5.5720 5.5720 7.0311 7.0311 7.2163 7.2163 7.9107 7.9107 8.7543 8.7543 11.6008 11.6008 12.0828 12.0828 12.2004 12.2004 12.6728 12.6728 12.6851 12.6851 k = 0.0000 0.2381 0.2563 ( 3772 PWs) bands (ev): -31.0765 -31.0765 -31.0764 -31.0764 -12.4609 -12.4609 -12.4447 -12.4447 -12.1182 -12.1182 -12.0961 -12.0961 -11.9814 -11.9814 -11.9783 -11.9783 -6.7097 -6.7097 -6.4874 -6.4874 -2.6152 -2.6152 -0.7414 -0.7414 0.9880 0.9880 1.0923 1.0923 2.7540 2.7540 3.2048 3.2048 3.3528 3.3528 3.6766 3.6766 3.7450 3.7450 5.6732 5.6732 6.9509 6.9509 7.1451 7.1451 7.8022 7.8022 8.7109 8.7109 11.5952 11.5952 12.0680 12.0680 12.2422 12.2422 12.6601 12.6601 12.7489 12.7489 k = 0.0000 0.2500 0.2563 ( 3784 PWs) bands (ev): -31.0761 -31.0761 -31.0761 -31.0761 -12.4615 -12.4615 -12.4447 -12.4447 -12.1210 -12.1210 -12.0979 -12.0979 -11.9827 -11.9827 -11.9794 -11.9794 -6.7004 -6.7004 -6.4547 -6.4547 -2.7192 -2.7192 -0.7350 -0.7350 0.9044 0.9044 1.1129 1.1129 2.8542 2.8542 3.2298 3.2298 3.3980 3.3980 3.7269 3.7269 3.7442 3.7442 5.7708 5.7708 6.8714 6.8714 7.0738 7.0738 7.6937 7.6937 8.6675 8.6675 11.5890 11.5890 12.0507 12.0507 12.2827 12.2827 12.6436 12.6436 12.8184 12.8184 k = 0.0000 0.2619 0.2563 ( 3784 PWs) bands (ev): -31.0758 -31.0758 -31.0757 -31.0757 -12.4621 -12.4621 -12.4447 -12.4447 -12.1238 -12.1238 -12.0997 -12.0997 -11.9839 -11.9839 -11.9805 -11.9805 -6.6911 -6.6911 -6.4208 -6.4208 -2.8214 -2.8214 -0.7283 -0.7283 0.8234 0.8234 1.1339 1.1339 2.9497 2.9497 3.2554 3.2554 3.4458 3.4458 3.7429 3.7429 3.7798 3.7798 5.8643 5.8643 6.7931 6.7931 7.0028 7.0028 7.5856 7.5856 8.6242 8.6242 11.5824 11.5824 12.0313 12.0313 12.3221 12.3221 12.6244 12.6244 12.8933 12.8933 k = 0.0000 0.2738 0.2563 ( 3782 PWs) bands (ev): -31.0755 -31.0755 -31.0754 -31.0754 -12.4627 -12.4627 -12.4448 -12.4448 -12.1266 -12.1266 -12.1016 -12.1016 -11.9849 -11.9849 -11.9814 -11.9814 -6.6818 -6.6818 -6.3859 -6.3859 -2.9217 -2.9217 -0.7213 -0.7213 0.7451 0.7451 1.1552 1.1552 3.0397 3.0397 3.2817 3.2817 3.4964 3.4964 3.7420 3.7420 3.8346 3.8346 5.9531 5.9531 6.7162 6.7162 6.9324 6.9324 7.4785 7.4785 8.5812 8.5812 11.5755 11.5755 12.0103 12.0103 12.3606 12.3606 12.6032 12.6032 12.9734 12.9734 k = 0.0000 0.2857 0.2563 ( 3782 PWs) bands (ev): -31.0752 -31.0752 -31.0751 -31.0751 -12.4634 -12.4634 -12.4449 -12.4449 -12.1294 -12.1294 -12.1036 -12.1036 -11.9858 -11.9858 -11.9823 -11.9823 -6.6726 -6.6726 -6.3499 -6.3499 -3.0201 -3.0201 -0.7138 -0.7138 0.6695 0.6695 1.1765 1.1765 3.1237 3.1237 3.3084 3.3084 3.5498 3.5498 3.7411 3.7411 3.8915 3.8915 6.0364 6.0364 6.6411 6.6411 6.8628 6.8628 7.3732 7.3732 8.5388 8.5388 11.5684 11.5684 11.9882 11.9882 12.3985 12.3985 12.5805 12.5805 13.0582 13.0582 k = 0.0000 0.2976 0.2563 ( 3792 PWs) bands (ev): -31.0749 -31.0749 -31.0748 -31.0748 -12.4642 -12.4642 -12.4451 -12.4451 -12.1322 -12.1322 -12.1055 -12.1055 -11.9866 -11.9866 -11.9830 -11.9830 -6.6635 -6.6635 -6.3131 -6.3131 -3.1162 -3.1162 -0.7060 -0.7060 0.5968 0.5968 1.1979 1.1979 3.2013 3.2013 3.3354 3.3354 3.6058 3.6058 3.7405 3.7405 3.9506 3.9506 6.1132 6.1132 6.5680 6.5680 6.7944 6.7944 7.2707 7.2707 8.4970 8.4970 11.5610 11.5610 11.9656 11.9656 12.4359 12.4359 12.5569 12.5569 13.1474 13.1474 k = 0.0000 0.3095 0.2563 ( 3786 PWs) bands (ev): -31.0746 -31.0746 -31.0745 -31.0745 -12.4649 -12.4649 -12.4454 -12.4454 -12.1348 -12.1348 -12.1074 -12.1074 -11.9873 -11.9873 -11.9837 -11.9837 -6.6546 -6.6546 -6.2755 -6.2755 -3.2099 -3.2099 -0.6977 -0.6977 0.5269 0.5269 1.2191 1.2191 3.2723 3.2723 3.3626 3.3626 3.6636 3.6636 3.7405 3.7405 4.0117 4.0117 6.1821 6.1821 6.4973 6.4973 6.7274 6.7274 7.1724 7.1724 8.4561 8.4561 11.5536 11.5536 11.9430 11.9430 12.4731 12.4731 12.5331 12.5331 13.2405 13.2405 k = 0.0000 0.3214 0.2563 ( 3782 PWs) bands (ev): -31.0743 -31.0743 -31.0742 -31.0742 -12.4656 -12.4656 -12.4457 -12.4457 -12.1374 -12.1374 -12.1093 -12.1093 -11.9879 -11.9879 -11.9843 -11.9843 -6.6459 -6.6459 -6.2374 -6.2374 -3.3009 -3.3009 -0.6891 -0.6891 0.4600 0.4600 1.2400 1.2400 3.3369 3.3369 3.3898 3.3898 3.7171 3.7171 3.7465 3.7465 4.0748 4.0748 6.2407 6.2407 6.4292 6.4292 6.6623 6.6623 7.0806 7.0806 8.4164 8.4164 11.5461 11.5461 11.9208 11.9208 12.5086 12.5086 12.5107 12.5107 13.3371 13.3371 k = 0.0000 0.3333 0.2563 ( 3788 PWs) bands (ev): -31.0740 -31.0740 -31.0739 -31.0739 -12.4664 -12.4664 -12.4461 -12.4461 -12.1398 -12.1398 -12.1112 -12.1112 -11.9884 -11.9884 -11.9848 -11.9848 -6.6375 -6.6375 -6.1988 -6.1988 -3.3891 -3.3891 -0.6801 -0.6801 0.3961 0.3961 1.2605 1.2605 3.3953 3.3953 3.4170 3.4170 3.7324 3.7324 3.7918 3.7918 4.1399 4.1399 6.2855 6.2855 6.3640 6.3640 6.5992 6.5992 6.9987 6.9987 8.3779 8.3779 11.5387 11.5387 11.8995 11.8995 12.4857 12.4857 12.5468 12.5468 13.4366 13.4366 k = 0.0000 0.3452 0.2563 ( 3788 PWs) bands (ev): -31.0737 -31.0737 -31.0736 -31.0736 -12.4672 -12.4672 -12.4465 -12.4465 -12.1422 -12.1422 -12.1130 -12.1130 -11.9888 -11.9888 -11.9852 -11.9852 -6.6294 -6.6294 -6.1601 -6.1601 -3.4742 -3.4742 -0.6707 -0.6707 0.3353 0.3353 1.2805 1.2805 3.4424 3.4424 3.4497 3.4497 3.7331 3.7331 3.8513 3.8513 4.2069 4.2069 6.3020 6.3020 6.3117 6.3117 6.5385 6.5385 6.9319 6.9319 8.3409 8.3409 11.5315 11.5315 11.8792 11.8792 12.4630 12.4630 12.5834 12.5834 13.4646 13.4646 k = 0.0000 0.3571 0.2563 ( 3788 PWs) bands (ev): -31.0735 -31.0735 -31.0733 -31.0733 -12.4680 -12.4680 -12.4470 -12.4470 -12.1444 -12.1444 -12.1148 -12.1148 -11.9891 -11.9891 -11.9856 -11.9856 -6.6217 -6.6217 -6.1215 -6.1215 -3.5559 -3.5559 -0.6609 -0.6609 0.2777 0.2777 1.2998 1.2998 3.4693 3.4693 3.4972 3.4972 3.7327 3.7327 3.9108 3.9108 4.2757 4.2757 6.2434 6.2434 6.3133 6.3133 6.4804 6.4804 6.8859 6.8859 8.3056 8.3056 11.5244 11.5244 11.8604 11.8604 12.4412 12.4412 12.6196 12.6196 13.4709 13.4709 k = 0.0000 0.3690 0.2563 ( 3792 PWs) bands (ev): -31.0732 -31.0732 -31.0731 -31.0731 -12.4688 -12.4688 -12.4475 -12.4475 -12.1465 -12.1465 -12.1164 -12.1164 -11.9894 -11.9894 -11.9859 -11.9859 -6.6145 -6.6145 -6.0832 -6.0832 -3.6339 -3.6339 -0.6508 -0.6508 0.2233 0.2233 1.3183 1.3183 3.4947 3.4947 3.5410 3.5410 3.7321 3.7321 3.9684 3.9684 4.3462 4.3462 6.1884 6.1884 6.2876 6.2876 6.4254 6.4254 6.8636 6.8636 8.2722 8.2722 11.5176 11.5176 11.8432 11.8432 12.4205 12.4205 12.6552 12.6552 13.4709 13.4709 k = 0.0000 0.3810 0.2563 ( 3794 PWs) bands (ev): -31.0730 -31.0730 -31.0729 -31.0729 -12.4695 -12.4695 -12.4480 -12.4480 -12.1483 -12.1483 -12.1179 -12.1179 -11.9896 -11.9896 -11.9862 -11.9862 -6.6077 -6.6077 -6.0456 -6.0456 -3.7079 -3.7079 -0.6404 -0.6404 0.1724 0.1724 1.3358 1.3358 3.5191 3.5191 3.5806 3.5806 3.7316 3.7316 4.0231 4.0231 4.4183 4.4183 6.1374 6.1374 6.2375 6.2375 6.3736 6.3736 6.8621 6.8621 8.2409 8.2409 11.5112 11.5112 11.8276 11.8276 12.4012 12.4012 12.6900 12.6900 13.4655 13.4655 k = 0.0000 0.3929 0.2563 ( 3790 PWs) bands (ev): -31.0728 -31.0728 -31.0726 -31.0726 -12.4702 -12.4702 -12.4485 -12.4485 -12.1501 -12.1501 -12.1193 -12.1193 -11.9897 -11.9897 -11.9864 -11.9864 -6.6014 -6.6014 -6.0091 -6.0091 -3.7773 -3.7773 -0.6298 -0.6298 0.1249 0.1249 1.3521 1.3521 3.5423 3.5423 3.6164 3.6164 3.7312 3.7312 4.0740 4.0740 4.4918 4.4918 6.0904 6.0904 6.1701 6.1701 6.3255 6.3255 6.8747 6.8747 8.2120 8.2120 11.5051 11.5051 11.8137 11.8137 12.3834 12.3834 12.7235 12.7235 13.4562 13.4562 k = 0.0000 0.4048 0.2563 ( 3790 PWs) bands (ev): -31.0726 -31.0726 -31.0724 -31.0724 -12.4709 -12.4709 -12.4490 -12.4490 -12.1516 -12.1516 -12.1206 -12.1206 -11.9898 -11.9898 -11.9866 -11.9866 -6.5957 -6.5957 -5.9742 -5.9742 -3.8418 -3.8418 -0.6191 -0.6191 0.0811 0.0811 1.3672 1.3672 3.5639 3.5639 3.6482 3.6482 3.7311 3.7311 4.1207 4.1207 4.5664 4.5664 6.0478 6.0478 6.0921 6.0921 6.2813 6.2813 6.8947 6.8947 8.1855 8.1855 11.4996 11.4996 11.8016 11.8016 12.3671 12.3671 12.7555 12.7555 13.4442 13.4442 k = 0.0000 0.4167 0.2563 ( 3790 PWs) bands (ev): -31.0724 -31.0724 -31.0723 -31.0723 -12.4715 -12.4715 -12.4494 -12.4494 -12.1530 -12.1530 -12.1218 -12.1218 -11.9899 -11.9899 -11.9868 -11.9868 -6.5905 -6.5905 -5.9413 -5.9413 -3.9008 -3.9008 -0.6085 -0.6085 0.0411 0.0411 1.3809 1.3809 3.5839 3.5839 3.6758 3.6758 3.7317 3.7317 4.1627 4.1627 4.6418 4.6418 6.0070 6.0070 6.0113 6.0113 6.2414 6.2414 6.9174 6.9174 8.1617 8.1617 11.4946 11.4946 11.7911 11.7911 12.3525 12.3525 12.7855 12.7855 13.4309 13.4309 k = 0.0000 0.4286 0.2563 ( 3790 PWs) bands (ev): -31.0723 -31.0723 -31.0721 -31.0721 -12.4720 -12.4720 -12.4498 -12.4498 -12.1542 -12.1542 -12.1228 -12.1228 -11.9899 -11.9899 -11.9869 -11.9869 -6.5860 -6.5860 -5.9110 -5.9110 -3.9538 -3.9538 -0.5982 -0.5982 0.0053 0.0053 1.3930 1.3930 3.6018 3.6018 3.6980 3.6980 3.7341 3.7341 4.1997 4.1997 4.7175 4.7175 5.9228 5.9228 5.9764 5.9764 6.2061 6.2061 6.9401 6.9401 8.1407 8.1407 11.4901 11.4901 11.7823 11.7823 12.3397 12.3397 12.8130 12.8130 13.4174 13.4174 k = 0.0000 0.4405 0.2563 ( 3790 PWs) bands (ev): -31.0722 -31.0722 -31.0720 -31.0720 -12.4725 -12.4725 -12.4502 -12.4502 -12.1552 -12.1552 -12.1236 -12.1236 -11.9900 -11.9900 -11.9870 -11.9870 -6.5821 -6.5821 -5.8839 -5.8839 -4.0001 -4.0001 -0.5884 -0.5884 -0.0260 -0.0260 1.4035 1.4035 3.6174 3.6174 3.7123 3.7123 3.7408 3.7408 4.2313 4.2313 4.7925 4.7925 5.8376 5.8376 5.9478 5.9478 6.1756 6.1756 6.9610 6.9610 8.1227 8.1227 11.4863 11.4863 11.7750 11.7750 12.3288 12.3288 12.8375 12.8375 13.4046 13.4046 k = 0.0000 0.4524 0.2563 ( 3796 PWs) bands (ev): -31.0721 -31.0721 -31.0719 -31.0719 -12.4729 -12.4729 -12.4505 -12.4505 -12.1560 -12.1560 -12.1244 -12.1244 -11.9900 -11.9900 -11.9871 -11.9871 -6.5789 -6.5789 -5.8605 -5.8605 -4.0392 -4.0392 -0.5796 -0.5796 -0.0526 -0.0526 1.4123 1.4123 3.6306 3.6306 3.7183 3.7183 3.7522 3.7522 4.2575 4.2575 4.8656 4.8656 5.7553 5.7553 5.9242 5.9242 6.1502 6.1502 6.9790 6.9790 8.1077 8.1077 11.4831 11.4831 11.7692 11.7692 12.3198 12.3198 12.8584 12.8584 13.3932 13.3932 k = 0.0000 0.4643 0.2563 ( 3790 PWs) bands (ev): -31.0720 -31.0720 -31.0718 -31.0718 -12.4732 -12.4732 -12.4508 -12.4508 -12.1566 -12.1566 -12.1249 -12.1249 -11.9900 -11.9900 -11.9872 -11.9872 -6.5764 -6.5764 -5.8416 -5.8416 -4.0703 -4.0703 -0.5721 -0.5721 -0.0739 -0.0739 1.4192 1.4192 3.6411 3.6411 3.7203 3.7203 3.7637 3.7637 4.2779 4.2779 4.9342 4.9342 5.6790 5.6790 5.9058 5.9058 6.1303 6.1303 6.9935 6.9935 8.0960 8.0960 11.4805 11.4805 11.7648 11.7648 12.3127 12.3127 12.8753 12.8753 13.3838 13.3838 k = 0.0000 0.4762 0.2563 ( 3788 PWs) bands (ev): -31.0719 -31.0719 -31.0717 -31.0717 -12.4735 -12.4735 -12.4509 -12.4509 -12.1571 -12.1571 -12.1253 -12.1253 -11.9900 -11.9900 -11.9872 -11.9872 -6.5746 -6.5746 -5.8277 -5.8277 -4.0930 -4.0930 -0.5663 -0.5663 -0.0896 -0.0896 1.4241 1.4241 3.6487 3.6487 3.7211 3.7211 3.7727 3.7727 4.2926 4.2926 4.9939 4.9939 5.6136 5.6136 5.8925 5.8925 6.1158 6.1158 7.0041 7.0041 8.0876 8.0876 11.4787 11.4787 11.7617 11.7617 12.3077 12.3077 12.8878 12.8878 13.3768 13.3768 k = 0.0000 0.4881 0.2563 ( 3780 PWs) bands (ev): -31.0719 -31.0719 -31.0717 -31.0717 -12.4736 -12.4736 -12.4510 -12.4510 -12.1573 -12.1573 -12.1255 -12.1255 -11.9900 -11.9900 -11.9872 -11.9872 -6.5735 -6.5735 -5.8191 -5.8191 -4.1068 -4.1068 -0.5626 -0.5626 -0.0992 -0.0992 1.4271 1.4271 3.6533 3.6533 3.7214 3.7214 3.7783 3.7783 4.3014 4.3014 5.0369 5.0369 5.5670 5.5670 5.8845 5.8845 6.1071 6.1071 7.0105 7.0105 8.0825 8.0825 11.4777 11.4777 11.7599 11.7599 12.3047 12.3047 12.8954 12.8954 13.3725 13.3725 k = 0.0000 0.5000 0.2563 ( 3776 PWs) bands (ev): -31.0719 -31.0719 -31.0717 -31.0717 -12.4736 -12.4736 -12.4511 -12.4511 -12.1574 -12.1574 -12.1256 -12.1256 -11.9900 -11.9900 -11.9872 -11.9872 -6.5731 -6.5731 -5.8162 -5.8162 -4.1114 -4.1114 -0.5614 -0.5614 -0.1024 -0.1024 1.4281 1.4281 3.6548 3.6548 3.7215 3.7215 3.7802 3.7802 4.3044 4.3044 5.0530 5.0530 5.5497 5.5497 5.8819 5.8819 6.1042 6.1042 7.0127 7.0127 8.0808 8.0808 11.4773 11.4773 11.7593 11.7593 12.3037 12.3037 12.8980 12.8980 13.3710 13.3710 k = 0.0000 0.5000 0.2563 ( 3776 PWs) bands (ev): -31.0719 -31.0719 -31.0717 -31.0717 -12.4736 -12.4736 -12.4511 -12.4511 -12.1574 -12.1574 -12.1256 -12.1256 -11.9900 -11.9900 -11.9872 -11.9872 -6.5731 -6.5731 -5.8162 -5.8162 -4.1114 -4.1114 -0.5614 -0.5614 -0.1024 -0.1024 1.4281 1.4281 3.6548 3.6548 3.7215 3.7215 3.7802 3.7802 4.3044 4.3044 5.0530 5.0530 5.5497 5.5497 5.8819 5.8819 6.1042 6.1042 7.0127 7.0127 8.0808 8.0808 11.4773 11.4773 11.7593 11.7593 12.3037 12.3037 12.8980 12.8980 13.3710 13.3710 k = 0.0119 0.5000 0.2563 ( 3784 PWs) bands (ev): -31.0718 -31.0718 -31.0717 -31.0717 -12.4736 -12.4736 -12.4511 -12.4511 -12.1574 -12.1574 -12.1255 -12.1255 -11.9902 -11.9902 -11.9874 -11.9874 -6.5723 -6.5723 -5.8160 -5.8160 -4.1110 -4.1110 -0.5709 -0.5709 -0.1014 -0.1014 1.4383 1.4383 3.6504 3.6504 3.7139 3.7139 3.7809 3.7809 4.3076 4.3076 5.0533 5.0533 5.5507 5.5507 5.8669 5.8669 6.1138 6.1138 7.0280 7.0280 8.0817 8.0817 11.4605 11.4605 11.7623 11.7623 12.2925 12.2925 12.8996 12.8996 13.3886 13.3886 k = 0.0238 0.5000 0.2563 ( 3796 PWs) bands (ev): -31.0718 -31.0718 -31.0716 -31.0716 -12.4736 -12.4736 -12.4511 -12.4511 -12.1573 -12.1573 -12.1255 -12.1255 -11.9908 -11.9908 -11.9878 -11.9878 -6.5699 -6.5699 -5.8153 -5.8153 -4.1097 -4.1097 -0.5987 -0.5987 -0.0984 -0.0984 1.4683 1.4683 3.6375 3.6375 3.6912 3.6912 3.7836 3.7836 4.3170 4.3170 5.0541 5.0541 5.5537 5.5537 5.8241 5.8241 6.1421 6.1421 7.0716 7.0716 8.0843 8.0843 11.4119 11.4119 11.7714 11.7714 12.2600 12.2600 12.9045 12.9045 13.4394 13.4394 k = 0.0357 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0718 -31.0718 -31.0716 -31.0716 -12.4735 -12.4735 -12.4511 -12.4511 -12.1570 -12.1570 -12.1253 -12.1253 -11.9918 -11.9918 -11.9886 -11.9886 -6.5658 -6.5658 -5.8141 -5.8141 -4.1075 -4.1075 -0.6432 -0.6432 -0.0934 -0.0934 1.5163 1.5163 3.6168 3.6168 3.6539 3.6539 3.7887 3.7887 4.3319 4.3319 5.0555 5.0555 5.5588 5.5588 5.7589 5.7589 6.1880 6.1880 7.1383 7.1383 8.0887 8.0887 11.3362 11.3362 11.7866 11.7866 12.2084 12.2084 12.9127 12.9127 13.5189 13.5189 k = 0.0476 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0717 -31.0717 -31.0715 -31.0715 -12.4735 -12.4735 -12.4512 -12.4512 -12.1566 -12.1566 -12.1250 -12.1250 -11.9932 -11.9932 -11.9896 -11.9896 -6.5601 -6.5601 -5.8125 -5.8125 -4.1044 -4.1044 -0.7023 -0.7023 -0.0863 -0.0863 1.5803 1.5803 3.5893 3.5893 3.6036 3.6036 3.7962 3.7962 4.3512 4.3512 5.0574 5.0574 5.5659 5.5659 5.6774 5.6774 6.2499 6.2499 7.2220 7.2220 8.0947 8.0947 11.2390 11.2390 11.8077 11.8077 12.1406 12.1406 12.9241 12.9241 13.6213 13.6213 k = 0.0595 0.5000 0.2563 ( 3796 PWs) bands (ev): -31.0716 -31.0716 -31.0714 -31.0714 -12.4734 -12.4734 -12.4512 -12.4512 -12.1561 -12.1561 -12.1247 -12.1247 -11.9949 -11.9949 -11.9910 -11.9910 -6.5527 -6.5527 -5.8104 -5.8104 -4.1005 -4.1005 -0.7734 -0.7734 -0.0773 -0.0773 1.6578 1.6578 3.5419 3.5419 3.5565 3.5565 3.8062 3.8062 4.3739 4.3739 5.0597 5.0597 5.5745 5.5745 5.5849 5.5849 6.3259 6.3259 7.3178 7.3178 8.1023 8.1023 11.1258 11.1258 11.8346 11.8346 12.0596 12.0596 12.9388 12.9388 13.7409 13.7409 k = 0.0714 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0714 -31.0714 -31.0713 -31.0713 -12.4732 -12.4732 -12.4513 -12.4513 -12.1555 -12.1555 -12.1242 -12.1242 -11.9970 -11.9970 -11.9926 -11.9926 -6.5438 -6.5438 -5.8079 -5.8079 -4.0958 -4.0958 -0.8543 -0.8543 -0.0663 -0.0663 1.7463 1.7463 3.4714 3.4714 3.5188 3.5188 3.8185 3.8185 4.3991 4.3991 5.0625 5.0625 5.4835 5.4835 5.5863 5.5863 6.4140 6.4140 7.4219 7.4219 8.1116 8.1116 11.0008 11.0008 11.8673 11.8673 11.9682 11.9682 12.9567 12.9567 13.8731 13.8732 k = 0.0833 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0713 -31.0713 -31.0711 -31.0711 -12.4731 -12.4731 -12.4513 -12.4513 -12.1548 -12.1548 -12.1238 -12.1238 -11.9993 -11.9993 -11.9945 -11.9945 -6.5332 -6.5332 -5.8049 -5.8049 -4.0902 -4.0902 -0.9429 -0.9429 -0.0533 -0.0533 1.8437 1.8437 3.3936 3.3936 3.4775 3.4775 3.8331 3.8331 4.4260 4.4260 5.0653 5.0653 5.3779 5.3779 5.5995 5.5995 6.5124 6.5124 7.5318 7.5318 8.1223 8.1223 10.8677 10.8677 11.8687 11.8687 11.9057 11.9057 12.9779 12.9779 14.0132 14.0143 k = 0.0952 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0711 -31.0711 -31.0710 -31.0710 -12.4729 -12.4729 -12.4514 -12.4514 -12.1540 -12.1540 -12.1232 -12.1232 -12.0020 -12.0020 -11.9967 -11.9967 -6.5210 -6.5210 -5.8016 -5.8016 -4.0838 -4.0838 -1.0373 -1.0373 -0.0384 -0.0384 1.9483 1.9483 3.3101 3.3101 3.4334 3.4334 3.8500 3.8500 4.4538 4.4538 5.0677 5.0677 5.2696 5.2696 5.6147 5.6147 6.6193 6.6193 7.6456 7.6456 8.1345 8.1345 10.7289 10.7289 11.7629 11.7629 11.9493 11.9493 13.0022 13.0022 14.0613 14.0613 k = 0.1071 0.5000 0.2563 ( 3788 PWs) bands (ev): -31.0709 -31.0709 -31.0708 -31.0708 -12.4727 -12.4727 -12.4515 -12.4515 -12.1532 -12.1532 -12.1226 -12.1226 -12.0049 -12.0049 -11.9992 -11.9992 -6.5073 -6.5073 -5.7978 -5.7978 -4.0767 -4.0767 -1.1362 -1.1362 -0.0214 -0.0214 2.0585 2.0585 3.2224 3.2224 3.3869 3.3869 3.8692 3.8692 4.4822 4.4822 5.0661 5.0661 5.1635 5.1635 5.6318 5.6318 6.7334 6.7334 7.7622 7.7622 8.1480 8.1480 10.5864 10.5864 11.6523 11.6523 11.9982 11.9982 13.0297 13.0297 14.1158 14.1158 k = 0.1190 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0707 -31.0707 -31.0706 -31.0706 -12.4726 -12.4726 -12.4516 -12.4516 -12.1522 -12.1522 -12.1220 -12.1220 -12.0082 -12.0082 -12.0019 -12.0019 -6.4920 -6.4920 -5.7937 -5.7937 -4.0687 -4.0687 -1.2384 -1.2384 -0.0026 -0.0026 2.1731 2.1731 3.1315 3.1315 3.3388 3.3388 3.8906 3.8906 4.5107 4.5107 5.0224 5.0224 5.0984 5.0984 5.6509 5.6509 6.8533 6.8533 7.8805 7.8805 8.1627 8.1627 10.4416 10.4416 11.5381 11.5381 12.0521 12.0521 13.0603 13.0603 14.1670 14.1670 k = 0.1310 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0705 -31.0705 -31.0704 -31.0704 -12.4724 -12.4724 -12.4518 -12.4518 -12.1512 -12.1512 -12.1212 -12.1212 -12.0116 -12.0116 -12.0048 -12.0048 -6.4751 -6.4751 -5.7893 -5.7893 -4.0601 -4.0601 -1.3430 -1.3430 0.0181 0.0181 2.2910 2.2910 3.0386 3.0386 3.2893 3.2893 3.9142 3.9142 4.5390 4.5390 4.9182 4.9182 5.0935 5.0935 5.6720 5.6720 6.9779 6.9779 7.9999 7.9999 8.1786 8.1786 10.2957 10.2957 11.4211 11.4211 12.1106 12.1106 13.0940 13.0940 14.2135 14.2135 k = 0.1429 0.5000 0.2563 ( 3788 PWs) bands (ev): -31.0703 -31.0703 -31.0701 -31.0701 -12.4722 -12.4722 -12.4519 -12.4519 -12.1500 -12.1500 -12.1205 -12.1205 -12.0152 -12.0152 -12.0079 -12.0079 -6.4567 -6.4567 -5.7845 -5.7845 -4.0508 -4.0508 -1.4492 -1.4492 0.0408 0.0408 2.4115 2.4115 2.9443 2.9443 3.2389 3.2389 3.9400 3.9400 4.5669 4.5669 4.8055 4.8055 5.0970 5.0970 5.6950 5.6950 7.1063 7.1063 8.1198 8.1198 8.1954 8.1954 10.1497 10.1497 11.3021 11.3021 12.1736 12.1736 13.1308 13.1308 14.2542 14.2542 k = 0.1548 0.5000 0.2563 ( 3800 PWs) bands (ev): -31.0700 -31.0700 -31.0699 -31.0699 -12.4721 -12.4721 -12.4522 -12.4522 -12.1489 -12.1489 -12.1197 -12.1197 -12.0191 -12.0191 -12.0113 -12.0113 -6.4368 -6.4368 -5.7794 -5.7794 -4.0408 -4.0408 -1.5564 -1.5564 0.0653 0.0653 2.5338 2.5338 2.8495 2.8495 3.1879 3.1879 3.9680 3.9680 4.5942 4.5942 4.6915 4.6915 5.1022 5.1022 5.7199 5.7199 7.2373 7.2373 8.2131 8.2131 8.2398 8.2398 10.0042 10.0042 11.1818 11.1818 12.2407 12.2407 13.1705 13.1705 14.2852 14.2870 k = 0.1667 0.5000 0.2563 ( 3796 PWs) bands (ev): -31.0697 -31.0697 -31.0696 -31.0696 -12.4719 -12.4719 -12.4524 -12.4524 -12.1476 -12.1476 -12.1188 -12.1188 -12.0230 -12.0230 -12.0148 -12.0148 -6.4154 -6.4154 -5.7741 -5.7741 -4.0302 -4.0302 -1.6641 -1.6641 0.0916 0.0916 2.6574 2.6574 2.7546 2.7546 3.1366 3.1366 3.9983 3.9983 4.5773 4.5773 4.6209 4.6209 5.1081 5.1081 5.7467 5.7467 7.3701 7.3701 8.2315 8.2315 8.3596 8.3596 9.8602 9.8602 11.0607 11.0607 12.3117 12.3117 13.2132 13.2132 14.2553 14.2555 k = 0.1786 0.5000 0.2563 ( 3796 PWs) bands (ev): -31.0695 -31.0695 -31.0693 -31.0693 -12.4717 -12.4717 -12.4527 -12.4527 -12.1463 -12.1463 -12.1179 -12.1179 -12.0271 -12.0271 -12.0184 -12.0184 -6.3926 -6.3926 -5.7685 -5.7685 -4.0190 -4.0190 -1.7719 -1.7719 0.1198 0.1198 2.6601 2.6601 2.7816 2.7816 3.0852 3.0852 4.0306 4.0306 4.4636 4.4636 4.6468 4.6468 5.1144 5.1144 5.7754 5.7754 7.5037 7.5037 8.2506 8.2506 8.4788 8.4788 9.7184 9.7184 10.9391 10.9391 12.3861 12.3861 13.2586 13.2586 14.2395 14.2395 k = 0.1905 0.5000 0.2563 ( 3796 PWs) bands (ev): -31.0692 -31.0692 -31.0690 -31.0690 -12.4716 -12.4716 -12.4530 -12.4530 -12.1449 -12.1449 -12.1170 -12.1170 -12.0313 -12.0313 -12.0221 -12.0221 -6.3684 -6.3684 -5.7628 -5.7628 -4.0073 -4.0073 -1.8793 -1.8793 0.1497 0.1497 2.5666 2.5666 2.9060 2.9060 3.0340 3.0340 4.0651 4.0651 4.3504 4.3504 4.6719 4.6719 5.1211 5.1211 5.8058 5.8058 7.6368 7.6368 8.2702 8.2702 8.5971 8.5971 9.5799 9.5799 10.8176 10.8176 12.4636 12.4636 13.3069 13.3069 14.2279 14.2279 k = 0.2024 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0689 -31.0689 -31.0687 -31.0687 -12.4715 -12.4715 -12.4534 -12.4534 -12.1435 -12.1435 -12.1161 -12.1161 -12.0356 -12.0356 -12.0260 -12.0260 -6.3427 -6.3427 -5.7568 -5.7568 -3.9951 -3.9951 -1.9862 -1.9862 0.1814 0.1814 2.4742 2.4742 2.9832 2.9832 3.0301 3.0301 4.1017 4.1017 4.2381 4.2381 4.6961 4.6961 5.1279 5.1279 5.8380 5.8380 7.7680 7.7680 8.2901 8.2901 8.7144 8.7144 9.4461 9.4461 10.6963 10.6963 12.5438 12.5438 13.3578 13.3578 14.2208 14.2208 k = 0.2143 0.5000 0.2563 ( 3788 PWs) bands (ev): -31.0686 -31.0686 -31.0684 -31.0684 -12.4714 -12.4714 -12.4538 -12.4538 -12.1421 -12.1421 -12.1151 -12.1151 -12.0399 -12.0399 -12.0298 -12.0298 -6.3158 -6.3158 -5.7507 -5.7507 -3.9825 -3.9825 -2.0922 -2.0922 0.2148 0.2148 2.3834 2.3834 2.9330 2.9330 3.1536 3.1536 4.1267 4.1267 4.1404 4.1404 4.7194 4.7194 5.1349 5.1349 5.8719 5.8719 7.8948 7.8948 8.3102 8.3102 8.8304 8.8304 9.3190 9.3190 10.5756 10.5756 12.6263 12.6263 13.4113 13.4113 14.2183 14.2183 k = 0.2262 0.5000 0.2563 ( 3800 PWs) bands (ev): -31.0682 -31.0682 -31.0681 -31.0681 -12.4713 -12.4713 -12.4543 -12.4543 -12.1406 -12.1406 -12.1142 -12.1142 -12.0442 -12.0442 -12.0338 -12.0338 -6.2876 -6.2876 -5.7446 -5.7446 -3.9695 -3.9695 -2.1972 -2.1972 0.2499 0.2499 2.2945 2.2945 2.8836 2.8836 3.2761 3.2761 4.0167 4.0167 4.1810 4.1810 4.7418 4.7418 5.1420 5.1420 5.9075 5.9075 8.0134 8.0134 8.3304 8.3304 8.9448 8.9448 9.2023 9.2023 10.4558 10.4558 12.7107 12.7107 13.4671 13.4671 14.2205 14.2205 k = 0.2381 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0679 -31.0679 -31.0678 -31.0678 -12.4713 -12.4713 -12.4548 -12.4548 -12.1391 -12.1391 -12.1132 -12.1132 -12.0485 -12.0485 -12.0377 -12.0377 -6.2581 -6.2581 -5.7383 -5.7383 -3.9562 -3.9562 -2.3007 -2.3007 0.2866 0.2866 2.2076 2.2076 2.8351 2.8351 3.3972 3.3972 3.9078 3.9078 4.2237 4.2237 4.7632 4.7632 5.1491 5.1491 5.9447 5.9447 8.1175 8.1175 8.3506 8.3506 9.0575 9.0575 9.1023 9.1023 10.3370 10.3370 12.7965 12.7965 13.5252 13.5252 14.2277 14.2277 k = 0.2500 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0676 -31.0676 -31.0675 -31.0675 -12.4712 -12.4712 -12.4553 -12.4553 -12.1376 -12.1376 -12.1123 -12.1123 -12.0527 -12.0527 -12.0417 -12.0417 -6.2276 -6.2276 -5.7321 -5.7321 -3.9427 -3.9427 -2.4028 -2.4028 0.3249 0.3249 2.1231 2.1231 2.7877 2.7877 3.5165 3.5165 3.8003 3.8003 4.2683 4.2683 4.7837 4.7837 5.1563 5.1563 5.9834 5.9834 8.1959 8.1959 8.3706 8.3706 9.0298 9.0298 9.1682 9.1682 10.2197 10.2197 12.8832 12.8832 13.5854 13.5854 14.2397 14.2402 k = 0.2619 0.5000 0.2563 ( 3784 PWs) bands (ev): -31.0673 -31.0673 -31.0672 -31.0672 -12.4712 -12.4712 -12.4559 -12.4559 -12.1361 -12.1361 -12.1113 -12.1113 -12.0569 -12.0569 -12.0456 -12.0456 -6.1959 -6.1959 -5.7258 -5.7258 -3.9291 -3.9291 -2.5031 -2.5031 0.3647 0.3647 2.0410 2.0410 2.7415 2.7415 3.6337 3.6337 3.6943 3.6943 4.3148 4.3148 4.8032 4.8032 5.1633 5.1633 6.0236 6.0236 8.2336 8.2336 8.3904 8.3904 8.9994 8.9994 9.2768 9.2768 10.1039 10.1039 12.9704 12.9704 13.6475 13.6475 14.2246 14.2246 k = 0.2738 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0670 -31.0670 -31.0669 -31.0669 -12.4713 -12.4713 -12.4566 -12.4566 -12.1346 -12.1346 -12.1104 -12.1104 -12.0610 -12.0610 -12.0495 -12.0495 -6.1633 -6.1633 -5.7196 -5.7196 -3.9153 -3.9153 -2.6015 -2.6015 0.4059 0.4059 1.9617 1.9617 2.6967 2.6967 3.5899 3.5899 3.7483 3.7483 4.3631 4.3631 4.8218 4.8218 5.1703 5.1703 6.0650 6.0650 8.2215 8.2215 8.4097 8.4097 9.0203 9.0203 9.3831 9.3831 9.9899 9.9899 13.0575 13.0575 13.7113 13.7113 14.1946 14.1946 k = 0.2857 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0667 -31.0667 -31.0666 -31.0666 -12.4713 -12.4713 -12.4573 -12.4573 -12.1331 -12.1331 -12.1095 -12.1095 -12.0649 -12.0649 -12.0533 -12.0533 -6.1299 -6.1299 -5.7134 -5.7134 -3.9015 -3.9015 -2.6978 -2.6978 0.4486 0.4486 1.8852 1.8852 2.6535 2.6535 3.4872 3.4872 3.8602 3.8602 4.4131 4.4131 4.8393 4.8393 5.1772 5.1772 6.1077 6.1077 8.1664 8.1664 8.4286 8.4286 9.0852 9.0852 9.4868 9.4868 9.8779 9.8779 13.1440 13.1440 13.7764 13.7764 14.1638 14.1638 k = 0.2976 0.5000 0.2563 ( 3780 PWs) bands (ev): -31.0663 -31.0663 -31.0663 -31.0663 -12.4714 -12.4714 -12.4580 -12.4580 -12.1316 -12.1316 -12.1086 -12.1086 -12.0687 -12.0687 -12.0569 -12.0569 -6.0957 -6.0957 -5.7074 -5.7074 -3.8878 -3.8878 -2.7918 -2.7918 0.4926 0.4926 1.8118 1.8118 2.6119 2.6119 3.3864 3.3864 3.9689 3.9689 4.4647 4.4647 4.8560 4.8560 5.1838 5.1838 6.1515 6.1515 8.0839 8.0839 8.4469 8.4469 9.1783 9.1783 9.5878 9.5878 9.7681 9.7681 13.2294 13.2294 13.8426 13.8426 14.1327 14.1327 k = 0.3095 0.5000 0.2563 ( 3776 PWs) bands (ev): -31.0660 -31.0660 -31.0660 -31.0660 -12.4715 -12.4715 -12.4587 -12.4587 -12.1302 -12.1302 -12.1078 -12.1078 -12.0723 -12.0723 -12.0605 -12.0605 -6.0609 -6.0609 -5.7015 -5.7015 -3.8743 -3.8743 -2.8832 -2.8832 0.5377 0.5377 1.7416 1.7416 2.5720 2.5720 3.2875 3.2875 4.0740 4.0740 4.5179 4.5179 4.8716 4.8716 5.1903 5.1903 6.1963 6.1963 7.9867 7.9867 8.4645 8.4645 9.2866 9.2866 9.6608 9.6608 9.6857 9.6857 13.3130 13.3130 13.9096 13.9096 14.1018 14.1018 k = 0.3214 0.5000 0.2563 ( 3772 PWs) bands (ev): -31.0657 -31.0657 -31.0657 -31.0657 -12.4716 -12.4716 -12.4595 -12.4595 -12.1287 -12.1287 -12.1071 -12.1071 -12.0757 -12.0757 -12.0640 -12.0640 -6.0256 -6.0256 -5.6957 -5.6957 -3.8609 -3.8609 -2.9719 -2.9719 0.5840 0.5840 1.6748 1.6748 2.5341 2.5341 3.1907 3.1907 4.1752 4.1752 4.5724 4.5724 4.8863 4.8863 5.1965 5.1965 6.2417 6.2417 7.8824 7.8824 8.4813 8.4813 9.4023 9.4023 9.5563 9.5563 9.7803 9.7803 13.3946 13.3946 13.9768 13.9768 14.0714 14.0714 k = 0.3333 0.5000 0.2563 ( 3776 PWs) bands (ev): -31.0655 -31.0655 -31.0654 -31.0654 -12.4717 -12.4717 -12.4604 -12.4604 -12.1274 -12.1274 -12.1065 -12.1065 -12.0789 -12.0789 -12.0673 -12.0673 -5.9901 -5.9901 -5.6902 -5.6902 -3.8479 -3.8479 -3.0576 -3.0576 0.6312 0.6312 1.6116 1.6116 2.4981 2.4981 3.0961 3.0961 4.2721 4.2721 4.6280 4.6280 4.9001 4.9001 5.2025 5.2025 6.2878 6.2878 7.7750 7.7750 8.4973 8.4973 9.4547 9.4547 9.5209 9.5209 9.8715 9.8715 13.4733 13.4733 14.0412 14.0412 14.0442 14.0442 k = 0.3452 0.5000 0.2563 ( 3772 PWs) bands (ev): -31.0652 -31.0652 -31.0652 -31.0652 -12.4718 -12.4718 -12.4612 -12.4612 -12.1260 -12.1260 -12.1060 -12.1060 -12.0817 -12.0817 -12.0704 -12.0704 -5.9546 -5.9546 -5.6849 -5.6849 -3.8353 -3.8353 -3.1401 -3.1401 0.6792 0.6792 1.5520 1.5520 2.4641 2.4641 3.0040 3.0040 4.3644 4.3644 4.6846 4.6846 4.9129 4.9129 5.2082 5.2082 6.3341 6.3341 7.6672 7.6672 8.5125 8.5125 9.3565 9.3565 9.6395 9.6395 9.9588 9.9588 13.5490 13.5490 14.0132 14.0132 14.1092 14.1092 k = 0.3571 0.5000 0.2563 ( 3768 PWs) bands (ev): -31.0649 -31.0649 -31.0649 -31.0649 -12.4719 -12.4719 -12.4620 -12.4620 -12.1247 -12.1247 -12.1057 -12.1057 -12.0843 -12.0843 -12.0733 -12.0733 -5.9193 -5.9193 -5.6798 -5.6798 -3.8232 -3.8232 -3.2190 -3.2190 0.7278 0.7278 1.4962 1.4962 2.4324 2.4324 2.9145 2.9145 4.4517 4.4517 4.7419 4.7419 4.9247 4.9247 5.2135 5.2135 6.3804 6.3804 7.5606 7.5606 8.5266 8.5266 9.2620 9.2620 9.7562 9.7562 10.0420 10.0420 13.6209 13.6209 13.9859 13.9859 14.1719 14.1719 k = 0.3690 0.5000 0.2563 ( 3764 PWs) bands (ev): -31.0647 -31.0647 -31.0647 -31.0647 -12.4720 -12.4720 -12.4629 -12.4629 -12.1235 -12.1235 -12.1055 -12.1055 -12.0865 -12.0865 -12.0761 -12.0761 -5.8845 -5.8845 -5.6751 -5.6751 -3.8117 -3.8117 -3.2940 -3.2940 0.7768 0.7768 1.4443 1.4443 2.4029 2.4029 2.8278 2.8278 4.5336 4.5336 4.7996 4.7996 4.9356 4.9356 5.2185 5.2185 6.4263 6.4263 7.4562 7.4562 8.5398 8.5398 9.1715 9.1715 9.8696 9.8696 10.1208 10.1208 13.6889 13.6889 13.9600 13.9600 14.1613 14.1613 k = 0.3810 0.5000 0.2563 ( 3760 PWs) bands (ev): -31.0645 -31.0645 -31.0644 -31.0644 -12.4721 -12.4721 -12.4638 -12.4638 -12.1223 -12.1223 -12.1056 -12.1056 -12.0884 -12.0884 -12.0786 -12.0786 -5.8505 -5.8505 -5.6707 -5.6707 -3.8008 -3.8008 -3.3649 -3.3649 0.8257 0.8257 1.3965 1.3965 2.3757 2.3757 2.7445 2.7445 4.6099 4.6099 4.8572 4.8572 4.9456 4.9456 5.2231 5.2231 6.4716 6.4716 7.3551 7.3551 8.5519 8.5519 9.0855 9.0855 9.9783 9.9783 10.1947 10.1947 13.7524 13.7524 13.9359 13.9359 14.1102 14.1102 k = 0.3929 0.5000 0.2563 ( 3756 PWs) bands (ev): -31.0643 -31.0643 -31.0642 -31.0642 -12.4721 -12.4721 -12.4646 -12.4646 -12.1212 -12.1212 -12.1059 -12.1059 -12.0899 -12.0899 -12.0810 -12.0810 -5.8177 -5.8177 -5.6666 -5.6666 -3.7907 -3.7907 -3.4311 -3.4311 0.8744 0.8744 1.3529 1.3529 2.3508 2.3508 2.6647 2.6647 4.6801 4.6801 4.9143 4.9143 4.9546 4.9546 5.2274 5.2274 6.5156 6.5156 7.2580 7.2580 8.5629 8.5629 9.0044 9.0044 10.0813 10.0813 10.2634 10.2634 13.8111 13.8111 13.9135 13.9135 14.0613 14.0613 k = 0.4048 0.5000 0.2563 ( 3756 PWs) bands (ev): -31.0641 -31.0641 -31.0640 -31.0640 -12.4721 -12.4721 -12.4654 -12.4654 -12.1202 -12.1202 -12.1064 -12.1064 -12.0910 -12.0910 -12.0831 -12.0831 -5.7864 -5.7864 -5.6629 -5.6629 -3.7814 -3.7814 -3.4923 -3.4923 0.9221 0.9221 1.3135 1.3135 2.3285 2.3285 2.5890 2.5890 4.7439 4.7439 4.9625 4.9625 4.9703 4.9703 5.2312 5.2312 6.5578 6.5578 7.1659 7.1659 8.5729 8.5729 8.9290 8.9290 10.1774 10.1774 10.3265 10.3265 13.8646 13.8646 13.8931 13.8931 14.0151 14.0151 k = 0.4167 0.5000 0.2563 ( 3760 PWs) bands (ev): -31.0639 -31.0639 -31.0639 -31.0639 -12.4722 -12.4722 -12.4663 -12.4663 -12.1192 -12.1192 -12.1071 -12.1071 -12.0917 -12.0917 -12.0851 -12.0851 -5.7572 -5.7572 -5.6596 -5.6596 -3.7730 -3.7730 -3.5480 -3.5480 0.9684 0.9684 1.2785 1.2785 2.3086 2.3086 2.5181 2.5181 4.8010 4.8010 4.9697 4.9697 5.0241 5.0241 5.2346 5.2346 6.5978 6.5978 7.0798 7.0798 8.5817 8.5817 8.8597 8.8597 10.2657 10.2657 10.3836 10.3836 13.8747 13.8747 13.9125 13.9125 13.9722 13.9722 k = 0.4286 0.5000 0.2563 ( 3756 PWs) bands (ev): -31.0637 -31.0637 -31.0637 -31.0637 -12.4721 -12.4721 -12.4670 -12.4670 -12.1182 -12.1182 -12.1080 -12.1080 -12.0922 -12.0922 -12.0867 -12.0867 -5.7305 -5.7305 -5.6566 -5.6566 -3.7655 -3.7655 -3.5978 -3.5978 1.0125 1.0125 1.2480 1.2480 2.2913 2.2913 2.4527 2.4527 4.8511 4.8511 4.9759 4.9759 5.0751 5.0751 5.2376 5.2376 6.6346 6.6346 7.0007 7.0007 8.5893 8.5893 8.7973 8.7973 10.3449 10.3449 10.4341 10.4341 13.8586 13.8586 13.9320 13.9320 13.9558 13.9558 k = 0.4405 0.5000 0.2563 ( 3752 PWs) bands (ev): -31.0636 -31.0636 -31.0636 -31.0636 -12.4720 -12.4720 -12.4678 -12.4678 -12.1174 -12.1174 -12.1089 -12.1089 -12.0924 -12.0924 -12.0882 -12.0882 -5.7067 -5.7067 -5.6541 -5.6541 -3.7591 -3.7591 -3.6410 -3.6410 1.0532 1.0532 1.2221 1.2221 2.2766 2.2766 2.3939 2.3939 4.8941 4.8941 4.9811 4.9811 5.1220 5.1220 5.2401 5.2401 6.6677 6.6677 6.9298 6.9298 8.5958 8.5958 8.7426 8.7426 10.4142 10.4142 10.4778 10.4778 13.8448 13.8448 13.8978 13.8978 13.9916 13.9916 k = 0.4524 0.5000 0.2563 ( 3760 PWs) bands (ev): -31.0635 -31.0635 -31.0635 -31.0635 -12.4719 -12.4719 -12.4685 -12.4685 -12.1165 -12.1165 -12.1099 -12.1099 -12.0926 -12.0926 -12.0894 -12.0894 -5.6864 -5.6864 -5.6521 -5.6521 -3.7538 -3.7538 -3.6773 -3.6773 1.0896 1.0896 1.2007 1.2007 2.2645 2.2645 2.3428 2.3428 4.9295 4.9295 4.9853 4.9853 5.1635 5.1635 5.2422 5.2422 6.6963 6.6963 6.8687 6.8687 8.6012 8.6012 8.6963 8.6963 10.4726 10.4726 10.5143 10.5143 13.8333 13.8333 13.8682 13.8682 14.0214 14.0214 k = 0.4643 0.5000 0.2563 ( 3776 PWs) bands (ev): -31.0634 -31.0634 -31.0634 -31.0634 -12.4717 -12.4717 -12.4692 -12.4692 -12.1158 -12.1158 -12.1108 -12.1108 -12.0926 -12.0926 -12.0904 -12.0904 -5.6701 -5.6701 -5.6505 -5.6505 -3.7496 -3.7496 -3.7060 -3.7060 1.1201 1.1201 1.1841 1.1841 2.2550 2.2550 2.3008 2.3008 4.9573 4.9573 4.9887 4.9887 5.1981 5.1981 5.2438 5.2438 6.7195 6.7195 6.8188 6.8188 8.6053 8.6053 8.6593 8.6593 10.5190 10.5190 10.5430 10.5430 13.8243 13.8243 13.8443 13.8443 14.0449 14.0449 k = 0.4762 0.5000 0.2563 ( 3780 PWs) bands (ev): -31.0634 -31.0634 -31.0634 -31.0634 -12.4715 -12.4715 -12.4698 -12.4698 -12.1150 -12.1150 -12.1118 -12.1118 -12.0926 -12.0926 -12.0912 -12.0912 -5.6580 -5.6580 -5.6493 -5.6493 -3.7466 -3.7466 -3.7270 -3.7270 1.1433 1.1433 1.1721 1.1721 2.2483 2.2483 2.2693 2.2693 4.9773 4.9773 4.9910 4.9910 5.2242 5.2242 5.2450 5.2450 6.7366 6.7366 6.7817 6.7817 8.6083 8.6083 8.6323 8.6323 10.5528 10.5528 10.5638 10.5638 13.8178 13.8178 13.8269 13.8269 14.0617 14.0617 k = 0.4881 0.5000 0.2563 ( 3780 PWs) bands (ev): -31.0634 -31.0634 -31.0634 -31.0634 -12.4711 -12.4711 -12.4703 -12.4703 -12.1142 -12.1142 -12.1126 -12.1126 -12.0924 -12.0924 -12.0918 -12.0918 -5.6507 -5.6507 -5.6486 -5.6486 -3.7448 -3.7448 -3.7396 -3.7396 1.1579 1.1579 1.1650 1.1650 2.2442 2.2442 2.2498 2.2498 4.9893 4.9893 4.9924 4.9924 5.2405 5.2405 5.2457 5.2457 6.7472 6.7472 6.7588 6.7588 8.6100 8.6100 8.6158 8.6158 10.5733 10.5733 10.5763 10.5763 13.8139 13.8139 13.8162 13.8162 14.0719 14.0719 k = 0.5000 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0633 -31.0633 -31.0633 -31.0633 -12.4708 -12.4708 -12.4708 -12.4708 -12.1135 -12.1135 -12.1135 -12.1135 -12.0922 -12.0922 -12.0922 -12.0922 -5.6484 -5.6484 -5.6482 -5.6482 -3.7442 -3.7442 -3.7439 -3.7439 1.1625 1.1625 1.1629 1.1629 2.2429 2.2429 2.2432 2.2432 4.9929 4.9929 4.9933 4.9933 5.2459 5.2459 5.2460 5.2460 6.7508 6.7508 6.7510 6.7510 8.6103 8.6103 8.6106 8.6106 10.5802 10.5802 10.5805 10.5805 13.8126 13.8126 13.8126 13.8126 14.0753 14.0753 k = 0.5000 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0633 -31.0633 -31.0633 -31.0633 -12.4708 -12.4708 -12.4708 -12.4708 -12.1135 -12.1135 -12.1135 -12.1135 -12.0922 -12.0922 -12.0922 -12.0922 -5.6484 -5.6484 -5.6482 -5.6482 -3.7442 -3.7442 -3.7439 -3.7439 1.1625 1.1625 1.1629 1.1629 2.2429 2.2429 2.2432 2.2432 4.9929 4.9929 4.9933 4.9933 5.2459 5.2459 5.2460 5.2460 6.7508 6.7508 6.7510 6.7510 8.6103 8.6103 8.6106 8.6106 10.5802 10.5802 10.5805 10.5805 13.8126 13.8126 13.8126 13.8126 14.0753 14.0753 k = 0.4915 0.4915 0.2563 ( 3776 PWs) bands (ev): -31.0633 -31.0633 -31.0633 -31.0633 -12.4711 -12.4711 -12.4703 -12.4703 -12.1142 -12.1142 -12.1126 -12.1126 -12.0924 -12.0924 -12.0917 -12.0917 -5.6498 -5.6498 -5.6495 -5.6495 -3.7423 -3.7423 -3.7420 -3.7420 1.1610 1.1610 1.1618 1.1618 2.2468 2.2468 2.2473 2.2473 4.9906 4.9906 4.9910 4.9910 5.2429 5.2429 5.2432 5.2432 6.7529 6.7529 6.7532 6.7532 8.6127 8.6127 8.6132 8.6132 10.5746 10.5746 10.5749 10.5749 13.8151 13.8151 13.8151 13.8151 14.0752 14.0753 k = 0.4831 0.4831 0.2563 ( 3770 PWs) bands (ev): -31.0634 -31.0634 -31.0634 -31.0634 -12.4714 -12.4714 -12.4697 -12.4697 -12.1150 -12.1150 -12.1117 -12.1117 -12.0925 -12.0925 -12.0912 -12.0912 -5.6541 -5.6541 -5.6535 -5.6535 -3.7368 -3.7368 -3.7365 -3.7365 1.1568 1.1568 1.1582 1.1582 2.2587 2.2587 2.2596 2.2596 4.9838 4.9838 4.9842 4.9842 5.2340 5.2340 5.2345 5.2345 6.7592 6.7592 6.7595 6.7595 8.6201 8.6201 8.6208 8.6208 10.5578 10.5578 10.5581 10.5581 13.8223 13.8223 13.8224 13.8224 14.0748 14.0749 k = 0.4746 0.4746 0.2563 ( 3772 PWs) bands (ev): -31.0634 -31.0634 -31.0634 -31.0634 -12.4717 -12.4717 -12.4691 -12.4691 -12.1157 -12.1157 -12.1109 -12.1109 -12.0924 -12.0924 -12.0906 -12.0906 -5.6610 -5.6610 -5.6601 -5.6601 -3.7276 -3.7276 -3.7273 -3.7273 1.1503 1.1503 1.1523 1.1523 2.2783 2.2783 2.2796 2.2796 4.9725 4.9725 4.9729 4.9729 5.2195 5.2195 5.2202 5.2202 6.7696 6.7696 6.7699 6.7699 8.6325 8.6325 8.6334 8.6334 10.5302 10.5302 10.5305 10.5305 13.8337 13.8337 13.8338 13.8338 14.0745 14.0746 k = 0.4661 0.4661 0.2563 ( 3770 PWs) bands (ev): -31.0635 -31.0635 -31.0635 -31.0635 -12.4719 -12.4719 -12.4685 -12.4685 -12.1164 -12.1164 -12.1100 -12.1100 -12.0922 -12.0922 -12.0898 -12.0898 -5.6705 -5.6705 -5.6693 -5.6693 -3.7149 -3.7149 -3.7146 -3.7146 1.1418 1.1418 1.1445 1.1445 2.3053 2.3053 2.3070 2.3070 4.9567 4.9567 4.9571 4.9571 5.1997 5.1997 5.2006 5.2006 6.7838 6.7838 6.7842 6.7842 8.6497 8.6497 8.6509 8.6509 10.4922 10.4922 10.4925 10.4925 13.8484 13.8484 13.8485 13.8485 14.0746 14.0747 k = 0.4576 0.4576 0.2563 ( 3756 PWs) bands (ev): -31.0636 -31.0636 -31.0636 -31.0636 -12.4720 -12.4720 -12.4677 -12.4677 -12.1170 -12.1170 -12.1092 -12.1092 -12.0918 -12.0918 -12.0888 -12.0888 -5.6825 -5.6825 -5.6811 -5.6811 -3.6987 -3.6987 -3.6985 -3.6985 1.1319 1.1319 1.1351 1.1351 2.3392 2.3392 2.3412 2.3412 4.9365 4.9365 4.9369 4.9369 5.1748 5.1748 5.1760 5.1760 6.8016 6.8016 6.8019 6.8019 8.6717 8.6717 8.6731 8.6731 10.4444 10.4444 10.4448 10.4448 13.8648 13.8648 13.8650 13.8650 14.0760 14.0760 k = 0.4492 0.4492 0.2563 ( 3756 PWs) bands (ev): -31.0638 -31.0638 -31.0638 -31.0638 -12.4720 -12.4720 -12.4670 -12.4670 -12.1176 -12.1176 -12.1084 -12.1084 -12.0912 -12.0912 -12.0878 -12.0878 -5.6969 -5.6969 -5.6952 -5.6952 -3.6792 -3.6792 -3.6789 -3.6789 1.1210 1.1210 1.1246 1.1246 2.3795 2.3795 2.3817 2.3817 4.9120 4.9120 4.9124 4.9124 5.1455 5.1455 5.1468 5.1468 6.8225 6.8225 6.8229 6.8229 8.6982 8.6982 8.6999 8.6999 10.3876 10.3876 10.3879 10.3879 13.8808 13.8808 13.8811 13.8811 14.0799 14.0800 k = 0.4407 0.4407 0.2563 ( 3756 PWs) bands (ev): -31.0639 -31.0639 -31.0639 -31.0639 -12.4720 -12.4720 -12.4662 -12.4662 -12.1182 -12.1182 -12.1077 -12.1077 -12.0904 -12.0904 -12.0866 -12.0866 -5.7135 -5.7135 -5.7115 -5.7115 -3.6565 -3.6565 -3.6562 -3.6562 1.1095 1.1095 1.1136 1.1136 2.4255 2.4255 2.4279 2.4279 4.8833 4.8833 4.8837 4.8837 5.1120 5.1120 5.1135 5.1135 6.8464 6.8464 6.8468 6.8468 8.7292 8.7292 8.7310 8.7310 10.3225 10.3225 10.3229 10.3229 13.8937 13.8937 13.8941 13.8941 14.0879 14.0879 k = 0.4322 0.4322 0.2563 ( 3756 PWs) bands (ev): -31.0641 -31.0641 -31.0641 -31.0641 -12.4720 -12.4720 -12.4653 -12.4653 -12.1187 -12.1187 -12.1070 -12.1070 -12.0894 -12.0894 -12.0853 -12.0853 -5.7321 -5.7321 -5.7299 -5.7299 -3.6308 -3.6308 -3.6305 -3.6305 1.0980 1.0980 1.1025 1.1025 2.4767 2.4767 2.4793 2.4793 4.8505 4.8505 4.8509 4.8509 5.0749 5.0749 5.0766 5.0766 6.8728 6.8728 6.8733 6.8733 8.7642 8.7642 8.7663 8.7663 10.2502 10.2502 10.2505 10.2505 13.9010 13.9010 13.9014 13.9014 14.1012 14.1013 k = 0.4237 0.4237 0.2563 ( 3752 PWs) bands (ev): -31.0643 -31.0643 -31.0643 -31.0643 -12.4719 -12.4719 -12.4644 -12.4644 -12.1192 -12.1192 -12.1065 -12.1065 -12.0881 -12.0881 -12.0839 -12.0839 -5.7526 -5.7526 -5.7502 -5.7502 -3.6021 -3.6021 -3.6018 -3.6018 1.0868 1.0868 1.0916 1.0916 2.5327 2.5327 2.5353 2.5353 4.8138 4.8138 4.8142 4.8142 5.0347 5.0347 5.0364 5.0364 6.9016 6.9016 6.9021 6.9021 8.8030 8.8030 8.8053 8.8053 10.1714 10.1714 10.1718 10.1718 13.9009 13.9009 13.9014 13.9014 14.1203 14.1204 k = 0.4153 0.4153 0.2563 ( 3752 PWs) bands (ev): -31.0645 -31.0645 -31.0645 -31.0645 -12.4717 -12.4717 -12.4634 -12.4634 -12.1197 -12.1197 -12.1059 -12.1059 -12.0867 -12.0867 -12.0823 -12.0823 -5.7748 -5.7748 -5.7721 -5.7721 -3.5707 -3.5707 -3.5704 -3.5704 1.0764 1.0764 1.0814 1.0814 2.5927 2.5927 2.5955 2.5955 4.7734 4.7734 4.7737 4.7737 4.9917 4.9917 4.9936 4.9936 6.9323 6.9323 6.9328 6.9328 8.8451 8.8451 8.8475 8.8475 10.0874 10.0874 10.0878 10.0878 13.8934 13.8934 13.8939 13.8939 14.1432 14.1433 k = 0.4068 0.4068 0.2563 ( 3760 PWs) bands (ev): -31.0647 -31.0647 -31.0647 -31.0647 -12.4715 -12.4715 -12.4625 -12.4625 -12.1202 -12.1202 -12.1055 -12.1055 -12.0850 -12.0850 -12.0806 -12.0806 -5.7986 -5.7986 -5.7957 -5.7957 -3.5367 -3.5367 -3.5364 -3.5364 1.0669 1.0669 1.0722 1.0722 2.6565 2.6565 2.6593 2.6593 4.7293 4.7293 4.7297 4.7297 4.9463 4.9463 4.9483 4.9483 6.9649 6.9649 6.9654 6.9654 8.8898 8.8898 8.8923 8.8923 9.9993 9.9993 9.9997 9.9997 13.8790 13.8790 13.8795 13.8795 14.1667 14.1667 k = 0.3983 0.3983 0.2563 ( 3764 PWs) bands (ev): -31.0650 -31.0650 -31.0650 -31.0650 -12.4712 -12.4712 -12.4615 -12.4615 -12.1206 -12.1206 -12.1051 -12.1051 -12.0832 -12.0832 -12.0788 -12.0788 -5.8237 -5.8237 -5.8206 -5.8206 -3.5003 -3.5003 -3.4999 -3.4999 1.0587 1.0587 1.0642 1.0642 2.7235 2.7235 2.7262 2.7262 4.6820 4.6820 4.6824 4.6824 4.8990 4.8990 4.9011 4.9011 6.9991 6.9991 6.9996 6.9996 8.9361 8.9361 8.9387 8.9387 9.9088 9.9088 9.9092 9.9092 13.8585 13.8585 13.8590 13.8590 14.1862 14.1864 k = 0.3898 0.3898 0.2563 ( 3766 PWs) bands (ev): -31.0653 -31.0653 -31.0653 -31.0653 -12.4709 -12.4709 -12.4605 -12.4605 -12.1210 -12.1210 -12.1048 -12.1048 -12.0811 -12.0811 -12.0768 -12.0768 -5.8500 -5.8500 -5.8467 -5.8467 -3.4615 -3.4615 -3.4612 -3.4612 1.0520 1.0520 1.0577 1.0577 2.7931 2.7931 2.7959 2.7959 4.6317 4.6317 4.6320 4.6320 4.8501 4.8501 4.8522 4.8522 7.0347 7.0347 7.0353 7.0353 8.9822 8.9822 8.9849 8.9849 9.8179 9.8179 9.8183 9.8183 13.8326 13.8326 13.8330 13.8330 14.1963 14.1964 k = 0.3814 0.3814 0.2563 ( 3766 PWs) bands (ev): -31.0656 -31.0656 -31.0656 -31.0656 -12.4705 -12.4705 -12.4594 -12.4594 -12.1213 -12.1213 -12.1044 -12.1044 -12.0788 -12.0788 -12.0746 -12.0746 -5.8774 -5.8774 -5.8739 -5.8739 -3.4206 -3.4206 -3.4202 -3.4202 1.0470 1.0470 1.0528 1.0528 2.8649 2.8649 2.8676 2.8676 4.5786 4.5786 4.5790 4.5790 4.7998 4.7998 4.8020 4.8020 7.0717 7.0717 7.0724 7.0724 9.0254 9.0254 9.0282 9.0282 9.7301 9.7301 9.7304 9.7304 13.8015 13.8015 13.8018 13.8018 14.1925 14.1926 k = 0.3729 0.3729 0.2563 ( 3774 PWs) bands (ev): -31.0659 -31.0659 -31.0659 -31.0659 -12.4702 -12.4702 -12.4584 -12.4584 -12.1216 -12.1216 -12.1041 -12.1041 -12.0764 -12.0764 -12.0724 -12.0724 -5.9056 -5.9056 -5.9020 -5.9020 -3.3776 -3.3776 -3.3772 -3.3772 1.0438 1.0438 1.0497 1.0497 2.9383 2.9383 2.9410 2.9410 4.5234 4.5234 4.5238 4.5238 4.7485 4.7485 4.7507 4.7507 7.1100 7.1100 7.1107 7.1107 9.0604 9.0604 9.0630 9.0630 9.6509 9.6509 9.6511 9.6511 13.7656 13.7656 13.7658 13.7658 14.1746 14.1759 k = 0.3644 0.3644 0.2563 ( 3778 PWs) bands (ev): -31.0662 -31.0662 -31.0662 -31.0662 -12.4697 -12.4697 -12.4573 -12.4573 -12.1218 -12.1218 -12.1038 -12.1038 -12.0739 -12.0739 -12.0700 -12.0700 -5.9346 -5.9346 -5.9309 -5.9309 -3.3327 -3.3327 -3.3323 -3.3323 1.0426 1.0426 1.0486 1.0486 3.0126 3.0126 3.0152 3.0152 4.4665 4.4665 4.4669 4.4669 4.6963 4.6963 4.6985 4.6985 7.1494 7.1494 7.1502 7.1502 9.0779 9.0779 9.0802 9.0802 9.5899 9.5899 9.5902 9.5902 13.7251 13.7251 13.7252 13.7252 14.1464 14.1466 k = 0.3559 0.3559 0.2563 ( 3782 PWs) bands (ev): -31.0666 -31.0666 -31.0666 -31.0666 -12.4693 -12.4693 -12.4563 -12.4563 -12.1220 -12.1220 -12.1036 -12.1036 -12.0712 -12.0712 -12.0675 -12.0675 -5.9643 -5.9643 -5.9604 -5.9604 -3.2859 -3.2859 -3.2855 -3.2855 1.0434 1.0434 1.0495 1.0495 3.0869 3.0869 3.0895 3.0895 4.4087 4.4087 4.4091 4.4091 4.6434 4.6434 4.6457 4.6457 7.1901 7.1901 7.1909 7.1909 9.0662 9.0662 9.0679 9.0679 9.5591 9.5591 9.5599 9.5599 13.6803 13.6803 13.6804 13.6804 14.1124 14.1126 k = 0.3475 0.3475 0.2563 ( 3790 PWs) bands (ev): -31.0669 -31.0669 -31.0669 -31.0669 -12.4688 -12.4688 -12.4552 -12.4552 -12.1222 -12.1222 -12.1033 -12.1033 -12.0683 -12.0683 -12.0649 -12.0649 -5.9944 -5.9944 -5.9904 -5.9904 -3.2374 -3.2374 -3.2370 -3.2370 1.0464 1.0464 1.0525 1.0525 3.1601 3.1601 3.1626 3.1626 4.3509 4.3509 4.3513 4.3513 4.5902 4.5902 4.5924 4.5924 7.2318 7.2318 7.2327 7.2327 9.0196 9.0196 9.0207 9.0207 9.5646 9.5646 9.5660 9.5660 13.6314 13.6314 13.6316 13.6316 14.0756 14.0757 k = 0.3390 0.3390 0.2563 ( 3790 PWs) bands (ev): -31.0673 -31.0673 -31.0673 -31.0673 -12.4682 -12.4682 -12.4542 -12.4542 -12.1223 -12.1223 -12.1030 -12.1030 -12.0653 -12.0653 -12.0621 -12.0621 -6.0249 -6.0249 -6.0208 -6.0208 -3.1873 -3.1873 -3.1868 -3.1868 1.0515 1.0515 1.0577 1.0577 3.2308 3.2308 3.2332 3.2332 4.2947 4.2947 4.2951 4.2951 4.5366 4.5366 4.5389 4.5389 7.2747 7.2747 7.2756 7.2756 8.9450 8.9450 8.9457 8.9457 9.5997 9.5997 9.6015 9.6015 13.5790 13.5790 13.5792 13.5792 14.0380 14.0380 k = 0.3305 0.3305 0.2563 ( 3794 PWs) bands (ev): -31.0677 -31.0677 -31.0677 -31.0677 -12.4677 -12.4677 -12.4532 -12.4532 -12.1223 -12.1223 -12.1027 -12.1027 -12.0623 -12.0623 -12.0592 -12.0592 -6.0557 -6.0557 -6.0515 -6.0515 -3.1356 -3.1356 -3.1351 -3.1351 1.0589 1.0589 1.0651 1.0651 3.2966 3.2966 3.2989 3.2989 4.2419 4.2419 4.2423 4.2423 4.4830 4.4830 4.4852 4.4852 7.3186 7.3186 7.3196 7.3196 8.8532 8.8532 8.8536 8.8536 9.6539 9.6539 9.6561 9.6561 13.5234 13.5234 13.5238 13.5238 14.0005 14.0005 k = 0.3220 0.3220 0.2563 ( 3790 PWs) bands (ev): -31.0681 -31.0681 -31.0681 -31.0681 -12.4671 -12.4671 -12.4522 -12.4522 -12.1222 -12.1222 -12.1023 -12.1023 -12.0591 -12.0591 -12.0562 -12.0562 -6.0867 -6.0867 -6.0823 -6.0823 -3.0824 -3.0824 -3.0819 -3.0819 1.0686 1.0686 1.0747 1.0747 3.3544 3.3544 3.3566 3.3566 4.1957 4.1957 4.1961 4.1961 4.4294 4.4294 4.4316 4.4316 7.3637 7.3637 7.3647 7.3647 8.7519 8.7519 8.7522 8.7522 9.7199 9.7199 9.7222 9.7222 13.4652 13.4652 13.4657 13.4657 13.9641 13.9641 k = 0.3136 0.3136 0.2563 ( 3788 PWs) bands (ev): -31.0685 -31.0685 -31.0685 -31.0685 -12.4666 -12.4666 -12.4512 -12.4512 -12.1221 -12.1221 -12.1019 -12.1019 -12.0557 -12.0557 -12.0531 -12.0531 -6.1177 -6.1177 -6.1133 -6.1133 -3.0278 -3.0278 -3.0272 -3.0272 1.0806 1.0806 1.0867 1.0867 3.4000 3.4000 3.4021 3.4021 4.1600 4.1600 4.1604 4.1604 4.3761 4.3761 4.3783 4.3783 7.4098 7.4098 7.4108 7.4108 8.6455 8.6455 8.6458 8.6458 9.7934 9.7934 9.7958 9.7958 13.4049 13.4049 13.4054 13.4054 13.9289 13.9289 k = 0.3051 0.3051 0.2563 ( 3780 PWs) bands (ev): -31.0689 -31.0689 -31.0689 -31.0689 -12.4660 -12.4660 -12.4502 -12.4502 -12.1219 -12.1219 -12.1015 -12.1015 -12.0523 -12.0523 -12.0499 -12.0499 -6.1488 -6.1488 -6.1443 -6.1443 -2.9717 -2.9717 -2.9712 -2.9712 1.0949 1.0949 1.1009 1.1009 3.4282 3.4282 3.4301 3.4301 4.1396 4.1396 4.1399 4.1399 4.3234 4.3234 4.3255 4.3255 7.4569 7.4569 7.4580 7.4580 8.5368 8.5368 8.5372 8.5372 9.8721 9.8721 9.8746 9.8746 13.3430 13.3430 13.3435 13.3435 13.8954 13.8954 k = 0.2966 0.2966 0.2563 ( 3780 PWs) bands (ev): -31.0694 -31.0694 -31.0694 -31.0694 -12.4654 -12.4654 -12.4494 -12.4494 -12.1216 -12.1216 -12.1011 -12.1011 -12.0489 -12.0489 -12.0466 -12.0466 -6.1797 -6.1797 -6.1752 -6.1752 -2.9144 -2.9144 -2.9139 -2.9139 1.1114 1.1114 1.1174 1.1174 3.4347 3.4347 3.4363 3.4363 4.1379 4.1379 4.1382 4.1382 4.2720 4.2720 4.2741 4.2741 7.5051 7.5051 7.5063 7.5063 8.4275 8.4275 8.4279 8.4279 9.9545 9.9545 9.9570 9.9570 13.2799 13.2799 13.2804 13.2804 13.8635 13.8635 k = 0.2881 0.2881 0.2563 ( 3772 PWs) bands (ev): -31.0698 -31.0698 -31.0698 -31.0698 -12.4648 -12.4648 -12.4485 -12.4485 -12.1213 -12.1213 -12.1006 -12.1006 -12.0453 -12.0453 -12.0432 -12.0432 -6.2105 -6.2105 -6.2059 -6.2059 -2.8559 -2.8559 -2.8553 -2.8553 1.1303 1.1303 1.1363 1.1363 3.4183 3.4183 3.4196 3.4196 4.1521 4.1521 4.1525 4.1525 4.2257 4.2257 4.2275 4.2275 7.5543 7.5543 7.5555 7.5555 8.3189 8.3189 8.3194 8.3194 10.0397 10.0397 10.0421 10.0421 13.2161 13.2161 13.2166 13.2166 13.8334 13.8334 k = 0.2797 0.2797 0.2563 ( 3776 PWs) bands (ev): -31.0702 -31.0702 -31.0702 -31.0702 -12.4643 -12.4643 -12.4478 -12.4478 -12.1209 -12.1209 -12.1001 -12.1001 -12.0417 -12.0417 -12.0398 -12.0398 -6.2411 -6.2411 -6.2365 -6.2365 -2.7961 -2.7961 -2.7955 -2.7955 1.1515 1.1515 1.1574 1.1574 3.3815 3.3815 3.3826 3.3826 4.1479 4.1479 4.1493 4.1493 4.2159 4.2159 4.2167 4.2167 7.6043 7.6043 7.6056 7.6056 8.2120 8.2120 8.2127 8.2127 10.1270 10.1270 10.1294 10.1294 13.1520 13.1520 13.1525 13.1525 13.8049 13.8049 k = 0.2712 0.2712 0.2563 ( 3776 PWs) bands (ev): -31.0707 -31.0707 -31.0707 -31.0707 -12.4638 -12.4638 -12.4471 -12.4471 -12.1204 -12.1204 -12.0996 -12.0996 -12.0380 -12.0380 -12.0363 -12.0363 -6.2714 -6.2714 -6.2667 -6.2667 -2.7351 -2.7351 -2.7345 -2.7345 1.1749 1.1749 1.1807 1.1807 3.3289 3.3289 3.3299 3.3299 4.1050 4.1050 4.1067 4.1067 4.2580 4.2580 4.2585 4.2585 7.6549 7.6549 7.6563 7.6563 8.1082 8.1082 8.1090 8.1090 10.2159 10.2159 10.2183 10.2183 13.0880 13.0880 13.0886 13.0886 13.7779 13.7779 k = 0.2627 0.2627 0.2563 ( 3780 PWs) bands (ev): -31.0711 -31.0711 -31.0711 -31.0711 -12.4632 -12.4632 -12.4464 -12.4464 -12.1198 -12.1198 -12.0991 -12.0991 -12.0343 -12.0343 -12.0328 -12.0328 -6.3013 -6.3013 -6.2966 -6.2966 -2.6731 -2.6731 -2.6725 -2.6725 1.2006 1.2006 1.2063 1.2063 3.2649 3.2649 3.2657 3.2657 4.0562 4.0562 4.0579 4.0579 4.3144 4.3144 4.3149 4.3149 7.7054 7.7054 7.7069 7.7069 8.0089 8.0089 8.0099 8.0099 10.3060 10.3060 10.3083 10.3083 13.0245 13.0245 13.0251 13.0251 13.7520 13.7520 k = 0.2542 0.2542 0.2563 ( 3780 PWs) bands (ev): -31.0716 -31.0716 -31.0716 -31.0716 -12.4627 -12.4627 -12.4459 -12.4459 -12.1191 -12.1191 -12.0985 -12.0985 -12.0306 -12.0306 -12.0292 -12.0292 -6.3307 -6.3307 -6.3261 -6.3261 -2.6099 -2.6099 -2.6093 -2.6093 1.2285 1.2285 1.2341 1.2341 3.1928 3.1928 3.1935 3.1935 4.0071 4.0071 4.0087 4.0087 4.3759 4.3759 4.3763 4.3763 7.7526 7.7526 7.7543 7.7543 7.9181 7.9181 7.9194 7.9194 10.3968 10.3968 10.3990 10.3990 12.9618 12.9618 12.9625 12.9625 13.7270 13.7270 k = 0.2458 0.2458 0.2563 ( 3776 PWs) bands (ev): -31.0721 -31.0721 -31.0721 -31.0721 -12.4622 -12.4622 -12.4454 -12.4454 -12.1184 -12.1184 -12.0978 -12.0978 -12.0268 -12.0268 -12.0255 -12.0255 -6.3597 -6.3597 -6.3551 -6.3551 -2.5457 -2.5457 -2.5451 -2.5451 1.2586 1.2586 1.2640 1.2640 3.1150 3.1150 3.1155 3.1155 3.9583 3.9583 3.9599 3.9599 4.4385 4.4385 4.4389 4.4389 7.7708 7.7708 7.7722 7.7722 7.8632 7.8632 7.8642 7.8642 10.4880 10.4880 10.4901 10.4901 12.9004 12.9004 12.9010 12.9010 13.7021 13.7021 k = 0.2373 0.2373 0.2563 ( 3768 PWs) bands (ev): -31.0725 -31.0725 -31.0725 -31.0725 -12.4617 -12.4617 -12.4449 -12.4449 -12.1175 -12.1175 -12.0971 -12.0971 -12.0230 -12.0230 -12.0219 -12.0219 -6.3882 -6.3882 -6.3836 -6.3836 -2.4805 -2.4805 -2.4799 -2.4799 1.2908 1.2908 1.2960 1.2960 3.0330 3.0330 3.0334 3.0334 3.9104 3.9104 3.9118 3.9118 4.4997 4.4997 4.5001 4.5001 7.7138 7.7138 7.7140 7.7140 7.8912 7.8912 7.8916 7.8916 10.5791 10.5791 10.5811 10.5811 12.8404 12.8404 12.8410 12.8410 13.6767 13.6767 k = 0.2288 0.2288 0.2563 ( 3764 PWs) bands (ev): -31.0730 -31.0730 -31.0730 -31.0730 -12.4613 -12.4613 -12.4446 -12.4446 -12.1166 -12.1166 -12.0964 -12.0964 -12.0192 -12.0192 -12.0182 -12.0182 -6.4161 -6.4161 -6.4116 -6.4116 -2.4144 -2.4144 -2.4138 -2.4138 1.3249 1.3249 1.3300 1.3300 2.9480 2.9480 2.9484 2.9484 3.8633 3.8633 3.8646 3.8646 4.5573 4.5573 4.5577 4.5577 7.6404 7.6404 7.6409 7.6409 7.9426 7.9426 7.9434 7.9434 10.6697 10.6697 10.6716 10.6716 12.7821 12.7821 12.7827 12.7827 13.6498 13.6498 k = 0.2203 0.2203 0.2563 ( 3774 PWs) bands (ev): -31.0734 -31.0734 -31.0734 -31.0734 -12.4609 -12.4609 -12.4443 -12.4443 -12.1156 -12.1156 -12.0957 -12.0957 -12.0155 -12.0155 -12.0145 -12.0145 -6.4433 -6.4433 -6.4389 -6.4389 -2.3474 -2.3474 -2.3468 -2.3468 1.3610 1.3610 1.3659 1.3659 2.8609 2.8609 2.8613 2.8613 3.8173 3.8173 3.8184 3.8184 4.6096 4.6096 4.6100 4.6100 7.5718 7.5718 7.5725 7.5725 7.9985 7.9985 7.9994 7.9994 10.7594 10.7594 10.7613 10.7613 12.7259 12.7259 12.7265 12.7265 13.6201 13.6201 k = 0.2119 0.2119 0.2563 ( 3778 PWs) bands (ev): -31.0739 -31.0739 -31.0739 -31.0739 -12.4605 -12.4605 -12.4442 -12.4442 -12.1146 -12.1146 -12.0950 -12.0950 -12.0117 -12.0117 -12.0109 -12.0109 -6.4699 -6.4699 -6.4655 -6.4655 -2.2795 -2.2795 -2.2789 -2.2789 1.3989 1.3989 1.4036 1.4036 2.7724 2.7724 2.7727 2.7727 3.7723 3.7723 3.7733 3.7733 4.6550 4.6550 4.6553 4.6553 7.5116 7.5116 7.5124 7.5124 8.0565 8.0565 8.0574 8.0574 10.8478 10.8478 10.8496 10.8496 12.6719 12.6719 12.6725 12.6725 13.5864 13.5864 k = 0.2034 0.2034 0.2563 ( 3782 PWs) bands (ev): -31.0743 -31.0743 -31.0743 -31.0743 -12.4602 -12.4602 -12.4441 -12.4441 -12.1134 -12.1134 -12.0942 -12.0942 -12.0080 -12.0080 -12.0073 -12.0073 -6.4958 -6.4958 -6.4915 -6.4915 -2.2108 -2.2108 -2.2102 -2.2102 1.4384 1.4384 1.4428 1.4428 2.6830 2.6830 2.6833 2.6833 3.7285 3.7285 3.7294 3.7294 4.6920 4.6920 4.6923 4.6923 7.4613 7.4613 7.4621 7.4621 8.1157 8.1157 8.1167 8.1167 10.9344 10.9344 10.9360 10.9360 12.6206 12.6206 12.6212 12.6212 13.5473 13.5473 k = 0.1949 0.1949 0.2563 ( 3786 PWs) bands (ev): -31.0747 -31.0747 -31.0747 -31.0747 -12.4598 -12.4598 -12.4440 -12.4440 -12.1122 -12.1122 -12.0934 -12.0934 -12.0044 -12.0044 -12.0037 -12.0037 -6.5209 -6.5209 -6.5167 -6.5167 -2.1413 -2.1413 -2.1408 -2.1408 1.4792 1.4792 1.4834 1.4834 2.5934 2.5934 2.5937 2.5937 3.6859 3.6859 3.6866 3.6866 4.7194 4.7194 4.7197 4.7197 7.4219 7.4219 7.4228 7.4228 8.1760 8.1760 8.1769 8.1769 11.0186 11.0186 11.0201 11.0201 12.5721 12.5721 12.5726 12.5726 13.5020 13.5021 k = 0.1864 0.1864 0.2563 ( 3786 PWs) bands (ev): -31.0752 -31.0752 -31.0752 -31.0752 -12.4595 -12.4595 -12.4440 -12.4440 -12.1110 -12.1110 -12.0926 -12.0926 -12.0007 -12.0007 -12.0001 -12.0001 -6.5453 -6.5453 -6.5411 -6.5411 -2.0712 -2.0712 -2.0706 -2.0706 1.5210 1.5210 1.5249 1.5249 2.5042 2.5042 2.5046 2.5046 3.6446 3.6446 3.6451 3.6451 4.7363 4.7363 4.7366 4.7366 7.3942 7.3942 7.3952 7.3952 8.2371 8.2371 8.2380 8.2380 11.0998 11.0998 11.1011 11.1011 12.5267 12.5267 12.5272 12.5272 13.4503 13.4503 k = 0.1780 0.1780 0.2563 ( 3782 PWs) bands (ev): -31.0756 -31.0756 -31.0756 -31.0756 -12.4592 -12.4592 -12.4441 -12.4441 -12.1096 -12.1096 -12.0918 -12.0918 -11.9971 -11.9971 -11.9966 -11.9966 -6.5687 -6.5687 -6.5647 -6.5647 -2.0004 -2.0004 -1.9999 -1.9999 1.5631 1.5631 1.5667 1.5667 2.4162 2.4162 2.4167 2.4167 3.6046 3.6046 3.6050 3.6050 4.7420 4.7420 4.7424 4.7424 7.3786 7.3786 7.3795 7.3795 8.2988 8.2988 8.2998 8.2998 11.1774 11.1774 11.1786 11.1786 12.4847 12.4847 12.4850 12.4850 13.3923 13.3924 k = 0.1695 0.1695 0.2563 ( 3782 PWs) bands (ev): -31.0760 -31.0760 -31.0760 -31.0760 -12.4589 -12.4589 -12.4443 -12.4443 -12.1083 -12.1083 -12.0910 -12.0910 -11.9936 -11.9936 -11.9931 -11.9931 -6.5914 -6.5914 -6.5875 -6.5875 -1.9291 -1.9291 -1.9286 -1.9286 1.6045 1.6045 1.6078 1.6078 2.3307 2.3307 2.3314 2.3314 3.5659 3.5659 3.5661 3.5661 4.7365 4.7365 4.7370 4.7370 7.3750 7.3750 7.3759 7.3759 8.3612 8.3612 8.3621 8.3621 11.2507 11.2507 11.2518 11.2518 12.4462 12.4462 12.4464 12.4464 13.3291 13.3291 k = 0.1610 0.1610 0.2563 ( 3778 PWs) bands (ev): -31.0764 -31.0764 -31.0764 -31.0764 -12.4587 -12.4587 -12.4445 -12.4445 -12.1068 -12.1068 -12.0902 -12.0902 -11.9902 -11.9902 -11.9898 -11.9898 -6.6131 -6.6131 -6.6093 -6.6093 -1.8574 -1.8574 -1.8569 -1.8569 1.6435 1.6435 1.6462 1.6462 2.2497 2.2497 2.2506 2.2506 3.5285 3.5285 3.5287 3.5287 4.7199 4.7199 4.7205 4.7205 7.3829 7.3829 7.3837 7.3837 8.4239 8.4239 8.4249 8.4249 11.3190 11.3190 11.3199 11.3199 12.4114 12.4114 12.4116 12.4116 13.2617 13.2617 k = 0.1525 0.1525 0.2563 ( 3782 PWs) bands (ev): -31.0768 -31.0768 -31.0768 -31.0768 -12.4584 -12.4584 -12.4448 -12.4448 -12.1054 -12.1054 -12.0894 -12.0894 -11.9869 -11.9869 -11.9865 -11.9865 -6.6339 -6.6339 -6.6303 -6.6303 -1.7853 -1.7853 -1.7849 -1.7849 1.6765 1.6765 1.6786 1.6786 2.1767 2.1767 2.1781 2.1781 3.4924 3.4924 3.4927 3.4927 4.6929 4.6929 4.6935 4.6935 7.4014 7.4014 7.4022 7.4022 8.4869 8.4869 8.4878 8.4878 11.3817 11.3817 11.3824 11.3824 12.3805 12.3805 12.3806 12.3806 13.1914 13.1914 k = 0.1441 0.1441 0.2563 ( 3790 PWs) bands (ev): -31.0771 -31.0771 -31.0771 -31.0771 -12.4582 -12.4582 -12.4452 -12.4452 -12.1040 -12.1040 -12.0886 -12.0886 -11.9837 -11.9837 -11.9834 -11.9834 -6.6537 -6.6537 -6.6502 -6.6502 -1.7131 -1.7131 -1.7126 -1.7126 1.6973 1.6973 1.6986 1.6986 2.1182 2.1182 2.1201 2.1201 3.4577 3.4577 3.4582 3.4582 4.6562 4.6562 4.6569 4.6569 7.4295 7.4295 7.4302 7.4302 8.5499 8.5499 8.5508 8.5508 11.4380 11.4380 11.4385 11.4385 12.3532 12.3532 12.3535 12.3535 13.1196 13.1198 k = 0.1356 0.1356 0.2563 ( 3790 PWs) bands (ev): -31.0775 -31.0775 -31.0775 -31.0775 -12.4580 -12.4580 -12.4456 -12.4456 -12.1025 -12.1025 -12.0879 -12.0879 -11.9806 -11.9806 -11.9803 -11.9803 -6.6726 -6.6726 -6.6693 -6.6693 -1.6407 -1.6407 -1.6403 -1.6403 1.6968 1.6968 1.6973 1.6973 2.0835 2.0835 2.0861 2.0861 3.4243 3.4243 3.4251 3.4251 4.6110 4.6110 4.6119 4.6119 7.4657 7.4657 7.4664 7.4664 8.6128 8.6128 8.6136 8.6136 11.4874 11.4874 11.4877 11.4877 12.3295 12.3295 12.3301 12.3301 13.0476 13.0476 k = 0.1271 0.1271 0.2563 ( 3798 PWs) bands (ev): -31.0778 -31.0778 -31.0778 -31.0778 -12.4578 -12.4578 -12.4460 -12.4460 -12.1011 -12.1011 -12.0872 -12.0872 -11.9776 -11.9776 -11.9774 -11.9774 -6.6904 -6.6904 -6.6873 -6.6873 -1.5685 -1.5685 -1.5681 -1.5681 1.6687 1.6687 1.6690 1.6690 2.0789 2.0789 2.0819 2.0819 3.3923 3.3923 3.3933 3.3933 4.5586 4.5586 4.5597 4.5597 7.5085 7.5085 7.5091 7.5091 8.6753 8.6753 8.6761 8.6761 11.5296 11.5296 11.5297 11.5297 12.3090 12.3090 12.3099 12.3099 12.9763 12.9769 k = 0.1186 0.1186 0.2563 ( 3798 PWs) bands (ev): -31.0781 -31.0781 -31.0781 -31.0781 -12.4576 -12.4576 -12.4465 -12.4465 -12.0996 -12.0996 -12.0865 -12.0865 -11.9748 -11.9748 -11.9746 -11.9746 -6.7072 -6.7072 -6.7042 -6.7042 -1.4966 -1.4966 -1.4962 -1.4962 1.6170 1.6170 1.6176 1.6176 2.1005 2.1005 2.1036 2.1036 3.3616 3.3616 3.3629 3.3629 4.5002 4.5002 4.5014 4.5014 7.5565 7.5565 7.5570 7.5570 8.7372 8.7372 8.7379 8.7379 11.5643 11.5643 11.5646 11.5646 12.2910 12.2910 12.2922 12.2922 12.9067 12.9067 k = 0.1102 0.1102 0.2563 ( 3798 PWs) bands (ev): -31.0784 -31.0784 -31.0784 -31.0784 -12.4574 -12.4574 -12.4470 -12.4470 -12.0982 -12.0982 -12.0859 -12.0859 -11.9721 -11.9721 -11.9719 -11.9719 -6.7230 -6.7230 -6.7201 -6.7201 -1.4253 -1.4253 -1.4249 -1.4249 1.5514 1.5514 1.5521 1.5521 2.1394 2.1394 2.1423 2.1423 3.3321 3.3321 3.3337 3.3337 4.4370 4.4370 4.4384 4.4384 7.6081 7.6081 7.6086 7.6086 8.7980 8.7980 8.7987 8.7987 11.5920 11.5920 11.5925 11.5925 12.2746 12.2746 12.2763 12.2763 12.8398 12.8398 k = 0.1017 0.1017 0.2563 ( 3790 PWs) bands (ev): -31.0787 -31.0787 -31.0787 -31.0787 -12.4572 -12.4572 -12.4475 -12.4475 -12.0967 -12.0967 -12.0853 -12.0853 -11.9696 -11.9696 -11.9694 -11.9694 -6.7376 -6.7376 -6.7350 -6.7350 -1.3548 -1.3548 -1.3544 -1.3544 1.4790 1.4790 1.4797 1.4797 2.1886 2.1886 2.1911 2.1911 3.3038 3.3038 3.3057 3.3057 4.3703 4.3703 4.3719 4.3719 7.6619 7.6619 7.6623 7.6623 8.8576 8.8576 8.8583 8.8583 11.6131 11.6131 11.6139 11.6139 12.2589 12.2589 12.2610 12.2610 12.7765 12.7765 k = 0.0932 0.0932 0.2563 ( 3792 PWs) bands (ev): -31.0790 -31.0790 -31.0790 -31.0790 -12.4570 -12.4570 -12.4480 -12.4480 -12.0953 -12.0953 -12.0848 -12.0848 -11.9672 -11.9672 -11.9671 -11.9671 -6.7512 -6.7512 -6.7487 -6.7487 -1.2855 -1.2855 -1.2851 -1.2851 1.4039 1.4039 1.4045 1.4045 2.2439 2.2439 2.2461 2.2461 3.2765 3.2765 3.2787 3.2787 4.3012 4.3012 4.3030 4.3030 7.7166 7.7166 7.7170 7.7170 8.9155 8.9155 8.9161 8.9161 11.6283 11.6283 11.6293 11.6293 12.2430 12.2430 12.2455 12.2455 12.7174 12.7174 k = 0.0847 0.0847 0.2563 ( 3788 PWs) bands (ev): -31.0792 -31.0792 -31.0792 -31.0792 -12.4568 -12.4568 -12.4485 -12.4485 -12.0940 -12.0940 -12.0843 -12.0843 -11.9650 -11.9650 -11.9649 -11.9649 -6.7636 -6.7636 -6.7614 -6.7614 -1.2179 -1.2179 -1.2175 -1.2175 1.3286 1.3286 1.3292 1.3292 2.3033 2.3033 2.3051 2.3051 3.2501 3.2501 3.2525 3.2525 4.2309 4.2309 4.2329 4.2329 7.7709 7.7709 7.7712 7.7712 8.9712 8.9712 8.9718 8.9718 11.6385 11.6385 11.6397 11.6397 12.2265 12.2265 12.2293 12.2293 12.6629 12.6629 k = 0.0763 0.0763 0.2563 ( 3780 PWs) bands (ev): -31.0794 -31.0794 -31.0794 -31.0794 -12.4566 -12.4566 -12.4491 -12.4491 -12.0927 -12.0927 -12.0839 -12.0839 -11.9630 -11.9630 -11.9629 -11.9629 -6.7749 -6.7749 -6.7728 -6.7728 -1.1524 -1.1524 -1.1521 -1.1521 1.2548 1.2548 1.2553 1.2553 2.3653 2.3653 2.3668 2.3668 3.2241 3.2241 3.2269 3.2269 4.1605 4.1605 4.1627 4.1627 7.8236 7.8236 7.8240 7.8240 9.0244 9.0244 9.0249 9.0249 11.6443 11.6443 11.6456 11.6456 12.2092 12.2092 12.2124 12.2124 12.6131 12.6132 k = 0.0678 0.0678 0.2563 ( 3770 PWs) bands (ev): -31.0796 -31.0796 -31.0796 -31.0796 -12.4563 -12.4563 -12.4496 -12.4496 -12.0914 -12.0914 -12.0836 -12.0836 -11.9611 -11.9611 -11.9611 -11.9611 -6.7850 -6.7850 -6.7832 -6.7832 -1.0898 -1.0898 -1.0894 -1.0894 1.1838 1.1838 1.1843 1.1843 2.4292 2.4292 2.4303 2.4303 3.1984 3.1984 3.2015 3.2015 4.0913 4.0913 4.0936 4.0936 7.8738 7.8738 7.8741 7.8741 9.0743 9.0743 9.0748 9.0748 11.6466 11.6466 11.6480 11.6480 12.1919 12.1919 12.1952 12.1952 12.5681 12.5681 k = 0.0593 0.0593 0.2563 ( 3766 PWs) bands (ev): -31.0798 -31.0798 -31.0798 -31.0798 -12.4560 -12.4560 -12.4501 -12.4501 -12.0902 -12.0902 -12.0833 -12.0833 -11.9595 -11.9595 -11.9594 -11.9594 -6.7939 -6.7939 -6.7923 -6.7923 -1.0306 -1.0306 -1.0303 -1.0303 1.1168 1.1168 1.1172 1.1172 2.4941 2.4941 2.4948 2.4948 3.1724 3.1724 3.1758 3.1758 4.0244 4.0244 4.0268 4.0268 7.9204 7.9204 7.9207 7.9207 9.1205 9.1205 9.1209 9.1209 11.6458 11.6458 11.6472 11.6472 12.1753 12.1753 12.1786 12.1786 12.5274 12.5274 k = 0.0508 0.0508 0.2563 ( 3766 PWs) bands (ev): -31.0800 -31.0800 -31.0800 -31.0800 -12.4558 -12.4558 -12.4507 -12.4507 -12.0891 -12.0891 -12.0832 -12.0832 -11.9581 -11.9581 -11.9580 -11.9580 -6.8017 -6.8017 -6.8003 -6.8003 -0.9759 -0.9759 -0.9756 -0.9756 1.0549 1.0549 1.0553 1.0553 2.5595 2.5595 2.5598 2.5598 3.1455 3.1455 3.1491 3.1491 3.9614 3.9614 3.9638 3.9638 7.9627 7.9627 7.9630 7.9630 9.1624 9.1624 9.1627 9.1627 11.6427 11.6427 11.6441 11.6441 12.1605 12.1605 12.1638 12.1638 12.4908 12.4908 k = 0.0424 0.0424 0.2563 ( 3766 PWs) bands (ev): -31.0801 -31.0801 -31.0801 -31.0801 -12.4555 -12.4555 -12.4512 -12.4512 -12.0881 -12.0881 -12.0832 -12.0832 -11.9569 -11.9569 -11.9568 -11.9568 -6.8083 -6.8083 -6.8071 -6.8071 -0.9267 -0.9267 -0.9263 -0.9263 0.9993 0.9993 0.9997 0.9997 2.6244 2.6244 2.6248 2.6248 3.1170 3.1170 3.1208 3.1208 3.9037 3.9037 3.9061 3.9061 7.9997 7.9997 8.0001 8.0001 9.1992 9.1992 9.1995 9.1995 11.6381 11.6381 11.6393 11.6393 12.1485 12.1485 12.1516 12.1516 12.4583 12.4583 k = 0.0339 0.0339 0.2563 ( 3770 PWs) bands (ev): -31.0802 -31.0802 -31.0802 -31.0802 -12.4552 -12.4552 -12.4518 -12.4518 -12.0872 -12.0872 -12.0832 -12.0832 -11.9559 -11.9559 -11.9558 -11.9558 -6.8137 -6.8137 -6.8127 -6.8127 -0.8840 -0.8840 -0.8836 -0.8836 0.9514 0.9514 0.9517 0.9517 2.6883 2.6883 2.6891 2.6891 3.0860 3.0860 3.0899 3.0899 3.8531 3.8531 3.8553 3.8553 8.0310 8.0310 8.0313 8.0313 9.2304 9.2304 9.2307 9.2307 11.6325 11.6325 11.6336 11.6336 12.1397 12.1397 12.1425 12.1425 12.4301 12.4301 k = 0.0254 0.0254 0.2563 ( 3766 PWs) bands (ev): -31.0803 -31.0803 -31.0803 -31.0803 -12.4548 -12.4548 -12.4523 -12.4523 -12.0864 -12.0864 -12.0834 -12.0834 -11.9551 -11.9551 -11.9551 -11.9551 -6.8178 -6.8178 -6.8171 -6.8171 -0.8491 -0.8491 -0.8487 -0.8487 0.9123 0.9123 0.9125 0.9125 2.7505 2.7505 2.7519 2.7519 3.0517 3.0517 3.0556 3.0556 3.8114 3.8114 3.8132 3.8132 8.0559 8.0559 8.0562 8.0562 9.2554 9.2554 9.2557 9.2557 11.6270 11.6270 11.6279 11.6279 12.1341 12.1341 12.1363 12.1363 12.4067 12.4067 k = 0.0169 0.0169 0.2563 ( 3766 PWs) bands (ev): -31.0804 -31.0804 -31.0804 -31.0804 -12.4544 -12.4544 -12.4527 -12.4527 -12.0856 -12.0856 -12.0836 -12.0836 -11.9545 -11.9545 -11.9545 -11.9545 -6.8208 -6.8208 -6.8202 -6.8202 -0.8232 -0.8232 -0.8228 -0.8228 0.8833 0.8833 0.8835 0.8835 2.8101 2.8101 2.8120 2.8120 3.0135 3.0135 3.0171 3.0171 3.7802 3.7802 3.7815 3.7815 8.0740 8.0740 8.0743 8.0743 9.2737 9.2737 9.2739 9.2739 11.6224 11.6224 11.6230 11.6230 12.1312 12.1312 12.1328 12.1328 12.3891 12.3891 k = 0.0085 0.0085 0.2563 ( 3770 PWs) bands (ev): -31.0804 -31.0804 -31.0804 -31.0804 -12.4541 -12.4541 -12.4532 -12.4532 -12.0850 -12.0850 -12.0840 -12.0840 -11.9542 -11.9542 -11.9542 -11.9542 -6.8225 -6.8225 -6.8222 -6.8222 -0.8071 -0.8071 -0.8068 -0.8068 0.8654 0.8654 0.8656 0.8656 2.8658 2.8658 2.8681 2.8681 2.9713 2.9713 2.9745 2.9745 3.7610 3.7610 3.7617 3.7617 8.0850 8.0850 8.0853 8.0853 9.2848 9.2848 9.2850 9.2850 11.6194 11.6194 11.6197 11.6197 12.1301 12.1301 12.1309 12.1309 12.3780 12.3780 k = 0.0000 0.0000 0.2563 ( 3782 PWs) bands (ev): -31.0804 -31.0804 -31.0804 -31.0804 -12.4537 -12.4537 -12.4537 -12.4537 -12.0845 -12.0845 -12.0845 -12.0845 -11.9541 -11.9541 -11.9541 -11.9541 -6.8231 -6.8231 -6.8229 -6.8229 -0.8017 -0.8017 -0.8013 -0.8013 0.8594 0.8594 0.8596 0.8596 2.9068 2.9068 2.9069 2.9069 2.9375 2.9375 2.9379 2.9379 3.7547 3.7547 3.7548 3.7548 8.0887 8.0887 8.0890 8.0890 9.2886 9.2886 9.2887 9.2887 11.6184 11.6184 11.6184 11.6184 12.1301 12.1301 12.1301 12.1301 12.3743 12.3744 k = 0.0000 0.5000-0.0000 ( 3792 PWs) bands (ev): -31.0782 -31.0782 -31.0653 -31.0653 -12.5144 -12.5144 -12.4429 -12.4429 -12.1625 -12.1625 -12.1005 -12.1005 -11.9846 -11.9846 -11.9744 -11.9744 -6.5748 -6.5748 -5.8281 -5.8281 -4.1126 -4.1126 -0.5564 -0.5564 -0.0629 -0.0629 1.4266 1.4266 3.6350 3.6350 3.6948 3.6948 3.7247 3.7247 4.3175 4.3175 4.8115 4.8115 5.7007 5.7007 5.9250 5.9250 6.1335 6.1335 6.9100 6.9100 8.7561 8.7561 10.8400 10.8400 11.1779 11.1779 13.5850 13.5850 13.6078 13.6078 13.7896 13.7896 k = 0.0000 0.5000 0.0117 ( 3792 PWs) bands (ev): -31.0782 -31.0782 -31.0653 -31.0653 -12.5143 -12.5143 -12.4430 -12.4430 -12.1625 -12.1625 -12.1005 -12.1005 -11.9847 -11.9847 -11.9745 -11.9745 -6.5748 -6.5748 -5.8281 -5.8281 -4.1126 -4.1126 -0.5564 -0.5564 -0.0631 -0.0631 1.4267 1.4267 3.6351 3.6351 3.6952 3.6952 3.7248 3.7248 4.3174 4.3174 4.8127 4.8127 5.6999 5.6999 5.9247 5.9247 6.1333 6.1333 6.9103 6.9103 8.7525 8.7525 10.8421 10.8421 11.1806 11.1806 13.5778 13.5778 13.6146 13.6146 13.7857 13.7857 k = 0.0000 0.5000 0.0233 ( 3796 PWs) bands (ev): -31.0782 -31.0782 -31.0654 -31.0654 -12.5138 -12.5138 -12.4430 -12.4430 -12.1625 -12.1625 -12.1008 -12.1008 -11.9849 -11.9849 -11.9746 -11.9746 -6.5748 -6.5748 -5.8279 -5.8279 -4.1126 -4.1126 -0.5565 -0.5565 -0.0637 -0.0637 1.4267 1.4267 3.6354 3.6354 3.6962 3.6962 3.7249 3.7249 4.3171 4.3171 4.8162 4.8162 5.6977 5.6977 5.9241 5.9241 6.1329 6.1329 6.9113 6.9113 8.7419 8.7419 10.8482 10.8482 11.1887 11.1887 13.5646 13.5646 13.6264 13.6264 13.7738 13.7739 k = 0.0000 0.5000 0.0350 ( 3794 PWs) bands (ev): -31.0781 -31.0781 -31.0655 -31.0655 -12.5129 -12.5129 -12.4430 -12.4430 -12.1625 -12.1625 -12.1013 -12.1013 -11.9852 -11.9852 -11.9748 -11.9748 -6.5748 -6.5748 -5.8276 -5.8276 -4.1126 -4.1126 -0.5566 -0.5566 -0.0647 -0.0647 1.4267 1.4267 3.6359 3.6359 3.6979 3.6979 3.7251 3.7251 4.3166 4.3166 4.8220 4.8220 5.6940 5.6940 5.9230 5.9230 6.1321 6.1321 6.9130 6.9130 8.7244 8.7244 10.8583 10.8583 11.2021 11.2021 13.5502 13.5502 13.6388 13.6388 13.7413 13.7414 k = 0.0000 0.5000 0.0466 ( 3798 PWs) bands (ev): -31.0780 -31.0780 -31.0656 -31.0656 -12.5118 -12.5118 -12.4431 -12.4431 -12.1625 -12.1625 -12.1018 -12.1018 -11.9856 -11.9856 -11.9751 -11.9751 -6.5747 -6.5747 -5.8272 -5.8272 -4.1125 -4.1125 -0.5568 -0.5568 -0.0660 -0.0660 1.4268 1.4268 3.6366 3.6366 3.7002 3.7002 3.7255 3.7255 4.3160 4.3160 4.8300 4.8300 5.6889 5.6889 5.9215 5.9215 6.1311 6.1311 6.9153 6.9153 8.7006 8.7006 10.8725 10.8725 11.2203 11.2203 13.5353 13.5353 13.6507 13.6507 13.6584 13.6584 k = 0.0000 0.5000 0.0583 ( 3798 PWs) bands (ev): -31.0778 -31.0778 -31.0657 -31.0657 -12.5104 -12.5104 -12.4432 -12.4432 -12.1624 -12.1624 -12.1026 -12.1026 -11.9861 -11.9861 -11.9755 -11.9755 -6.5746 -6.5746 -5.8267 -5.8267 -4.1125 -4.1125 -0.5570 -0.5570 -0.0677 -0.0677 1.4268 1.4268 3.6374 3.6374 3.7030 3.7030 3.7260 3.7260 4.3152 4.3152 4.8400 4.8400 5.6826 5.6826 5.9197 5.9197 6.1298 6.1298 6.9183 6.9183 8.6711 8.6711 10.8906 10.8906 11.2430 11.2430 13.5204 13.5204 13.5690 13.5690 13.6620 13.6620 k = 0.0000 0.5000 0.0699 ( 3798 PWs) bands (ev): -31.0776 -31.0776 -31.0659 -31.0659 -12.5088 -12.5088 -12.4433 -12.4433 -12.1624 -12.1624 -12.1035 -12.1035 -11.9866 -11.9866 -11.9760 -11.9760 -6.5745 -6.5745 -5.8261 -5.8261 -4.1124 -4.1124 -0.5573 -0.5573 -0.0698 -0.0698 1.4269 1.4269 3.6384 3.6384 3.7062 3.7062 3.7269 3.7269 4.3143 4.3143 4.8518 4.8518 5.6751 5.6751 5.9175 5.9175 6.1283 6.1283 6.9220 6.9220 8.6366 8.6366 10.9125 10.9125 11.2696 11.2696 13.4759 13.4759 13.5056 13.5056 13.6457 13.6459 k = 0.0000 0.5000 0.0816 ( 3798 PWs) bands (ev): -31.0774 -31.0774 -31.0661 -31.0661 -12.5069 -12.5069 -12.4434 -12.4434 -12.1623 -12.1623 -12.1045 -12.1045 -11.9872 -11.9872 -11.9765 -11.9765 -6.5744 -6.5744 -5.8254 -5.8254 -4.1123 -4.1123 -0.5575 -0.5575 -0.0720 -0.0720 1.4270 1.4270 3.6395 3.6395 3.7094 3.7094 3.7281 3.7281 4.3134 4.3134 4.8652 4.8652 5.6666 5.6666 5.9151 5.9151 6.1267 6.1267 6.9263 6.9263 8.5978 8.5978 10.9381 10.9381 11.2998 11.2998 13.3811 13.3811 13.4910 13.4910 13.5959 13.5959 k = 0.0000 0.5000 0.0932 ( 3784 PWs) bands (ev): -31.0772 -31.0772 -31.0663 -31.0663 -12.5047 -12.5047 -12.4435 -12.4435 -12.1622 -12.1622 -12.1057 -12.1057 -11.9877 -11.9877 -11.9772 -11.9772 -6.5743 -6.5743 -5.8247 -5.8247 -4.1123 -4.1123 -0.5579 -0.5579 -0.0745 -0.0745 1.4271 1.4271 3.6407 3.6407 3.7125 3.7125 3.7300 3.7300 4.3124 4.3124 4.8800 4.8800 5.6573 5.6573 5.9124 5.9124 6.1248 6.1248 6.9312 6.9312 8.5556 8.5556 10.9673 10.9673 11.3330 11.3330 13.2856 13.2856 13.4769 13.4769 13.5411 13.5411 k = 0.0000 0.5000 0.1049 ( 3778 PWs) bands (ev): -31.0769 -31.0769 -31.0666 -31.0666 -12.5023 -12.5023 -12.4437 -12.4437 -12.1620 -12.1620 -12.1070 -12.1070 -11.9883 -11.9883 -11.9778 -11.9778 -6.5742 -6.5742 -5.8239 -5.8239 -4.1122 -4.1122 -0.5582 -0.5582 -0.0772 -0.0772 1.4272 1.4272 3.6421 3.6421 3.7150 3.7150 3.7328 3.7328 4.3114 4.3114 4.8958 4.8958 5.6473 5.6473 5.9095 5.9095 6.1229 6.1229 6.9368 6.9368 8.5108 8.5108 10.9999 10.9999 11.3685 11.3685 13.1901 13.1901 13.4633 13.4633 13.4827 13.4827 k = 0.0000 0.5000 0.1165 ( 3782 PWs) bands (ev): -31.0766 -31.0766 -31.0669 -31.0669 -12.4998 -12.4998 -12.4440 -12.4440 -12.1618 -12.1618 -12.1086 -12.1086 -11.9889 -11.9889 -11.9786 -11.9786 -6.5741 -6.5741 -5.8231 -5.8231 -4.1121 -4.1121 -0.5585 -0.5585 -0.0799 -0.0799 1.4273 1.4273 3.6434 3.6434 3.7170 3.7170 3.7365 3.7365 4.3105 4.3105 4.9124 4.9124 5.6368 5.6368 5.9065 5.9065 6.1208 6.1208 6.9429 6.9429 8.4644 8.4644 11.0357 11.0357 11.4059 11.4059 13.0952 13.0952 13.4216 13.4216 13.4506 13.4506 k = 0.0000 0.5000 0.1282 ( 3782 PWs) bands (ev): -31.0763 -31.0763 -31.0672 -31.0672 -12.4971 -12.4971 -12.4444 -12.4444 -12.1616 -12.1616 -12.1102 -12.1102 -11.9894 -11.9894 -11.9793 -11.9793 -6.5740 -6.5740 -5.8222 -5.8222 -4.1120 -4.1120 -0.5589 -0.5589 -0.0828 -0.0828 1.4274 1.4274 3.6448 3.6448 3.7183 3.7183 3.7410 3.7410 4.3095 4.3095 4.9295 4.9295 5.6261 5.6261 5.9034 5.9034 6.1187 6.1187 6.9496 6.9496 8.4172 8.4172 11.0744 11.0744 11.4446 11.4446 13.0017 13.0017 13.3596 13.3596 13.4384 13.4384 k = 0.0000 0.5000 0.1398 ( 3780 PWs) bands (ev): -31.0760 -31.0760 -31.0675 -31.0675 -12.4944 -12.4944 -12.4448 -12.4448 -12.1613 -12.1613 -12.1120 -12.1120 -11.9899 -11.9899 -11.9801 -11.9801 -6.5738 -6.5738 -5.8214 -5.8214 -4.1119 -4.1119 -0.5593 -0.5593 -0.0856 -0.0856 1.4275 1.4275 3.6463 3.6463 3.7192 3.7192 3.7460 3.7460 4.3087 4.3087 4.9466 4.9466 5.6153 5.6153 5.9004 5.9004 6.1166 6.1166 6.9566 6.9566 8.3700 8.3700 11.1157 11.1157 11.4842 11.4842 12.9099 12.9099 13.2974 13.2974 13.4271 13.4271 k = 0.0000 0.5000 0.1515 ( 3782 PWs) bands (ev): -31.0756 -31.0756 -31.0679 -31.0679 -12.4915 -12.4915 -12.4453 -12.4453 -12.1609 -12.1609 -12.1138 -12.1138 -11.9903 -11.9903 -11.9810 -11.9810 -6.5737 -6.5737 -5.8205 -5.8205 -4.1118 -4.1118 -0.5596 -0.5596 -0.0883 -0.0883 1.4276 1.4276 3.6476 3.6476 3.7198 3.7198 3.7511 3.7511 4.3078 4.3078 4.9636 4.9636 5.6048 5.6048 5.8974 5.8974 6.1146 6.1146 6.9641 6.9641 8.3238 8.3238 11.1591 11.1591 11.5239 11.5239 12.8204 12.8204 13.2361 13.2361 13.4167 13.4167 k = 0.0000 0.5000 0.1631 ( 3784 PWs) bands (ev): -31.0753 -31.0753 -31.0683 -31.0683 -12.4887 -12.4887 -12.4460 -12.4460 -12.1605 -12.1605 -12.1157 -12.1157 -11.9907 -11.9907 -11.9818 -11.9818 -6.5736 -6.5736 -5.8197 -5.8197 -4.1118 -4.1118 -0.5599 -0.5599 -0.0910 -0.0910 1.4277 1.4277 3.6490 3.6490 3.7203 3.7203 3.7563 3.7563 4.3071 4.3071 4.9799 4.9799 5.5946 5.5946 5.8945 5.8945 6.1127 6.1127 6.9717 6.9717 8.2793 8.2793 11.2042 11.2042 11.5632 11.5632 12.7339 12.7339 13.1767 13.1767 13.4073 13.4073 k = 0.0000 0.5000 0.1748 ( 3788 PWs) bands (ev): -31.0749 -31.0749 -31.0687 -31.0687 -12.4859 -12.4859 -12.4467 -12.4467 -12.1600 -12.1600 -12.1175 -12.1175 -11.9909 -11.9909 -11.9827 -11.9827 -6.5735 -6.5735 -5.8190 -5.8190 -4.1117 -4.1117 -0.5602 -0.5602 -0.0934 -0.0934 1.4278 1.4278 3.6502 3.6502 3.7206 3.7206 3.7612 3.7612 4.3065 4.3065 4.9954 4.9954 5.5850 5.5850 5.8918 5.8918 6.1108 6.1108 6.9793 6.9793 8.2375 8.2375 11.2503 11.2503 11.6014 11.6014 12.6512 12.6512 13.1200 13.1200 13.3989 13.3989 k = 0.0000 0.5000 0.1864 ( 3788 PWs) bands (ev): -31.0744 -31.0744 -31.0691 -31.0691 -12.4832 -12.4832 -12.4474 -12.4474 -12.1596 -12.1596 -12.1193 -12.1193 -11.9909 -11.9909 -11.9836 -11.9836 -6.5734 -6.5734 -5.8183 -5.8183 -4.1116 -4.1116 -0.5605 -0.5605 -0.0957 -0.0957 1.4279 1.4279 3.6514 3.6514 3.7209 3.7209 3.7658 3.7658 4.3059 4.3059 5.0096 5.0096 5.5763 5.5763 5.8893 5.8893 6.1092 6.1092 6.9868 6.9868 8.1991 8.1991 11.2965 11.2965 11.6377 11.6377 12.5731 12.5731 13.0674 13.0674 13.3916 13.3916 k = 0.0000 0.5000 0.1981 ( 3792 PWs) bands (ev): -31.0740 -31.0740 -31.0695 -31.0695 -12.4807 -12.4807 -12.4482 -12.4482 -12.1591 -12.1591 -12.1210 -12.1210 -11.9909 -11.9909 -11.9845 -11.9845 -6.5734 -6.5734 -5.8177 -5.8177 -4.1116 -4.1116 -0.5608 -0.5608 -0.0976 -0.0976 1.4280 1.4280 3.6524 3.6524 3.7211 3.7211 3.7700 3.7700 4.3054 4.3054 5.0222 5.0222 5.5685 5.5685 5.8871 5.8871 6.1077 6.1077 6.9938 6.9938 8.1649 8.1649 11.3415 11.3415 11.6711 11.6711 12.5010 12.5010 13.0197 13.0197 13.3853 13.3853 k = 0.0000 0.5000 0.2097 ( 3798 PWs) bands (ev): -31.0736 -31.0736 -31.0700 -31.0700 -12.4785 -12.4785 -12.4491 -12.4491 -12.1586 -12.1586 -12.1226 -12.1226 -11.9908 -11.9908 -11.9853 -11.9853 -6.5733 -6.5733 -5.8172 -5.8172 -4.1115 -4.1115 -0.5610 -0.5610 -0.0993 -0.0993 1.4280 1.4280 3.6532 3.6532 3.7212 3.7212 3.7735 3.7735 4.3050 4.3050 5.0329 5.0329 5.5619 5.5619 5.8853 5.8853 6.1065 6.1065 7.0001 7.0001 8.1357 8.1357 11.3838 11.3838 11.7006 11.7006 12.4366 12.4366 12.9783 12.9783 13.3802 13.3802 k = 0.0000 0.5000 0.2214 ( 3794 PWs) bands (ev): -31.0731 -31.0731 -31.0704 -31.0704 -12.4765 -12.4765 -12.4498 -12.4498 -12.1581 -12.1581 -12.1238 -12.1238 -11.9906 -11.9906 -11.9860 -11.9860 -6.5732 -6.5732 -5.8168 -5.8168 -4.1115 -4.1115 -0.5612 -0.5612 -0.1007 -0.1007 1.4281 1.4281 3.6539 3.6539 3.7213 3.7213 3.7764 3.7764 4.3047 4.3047 5.0416 5.0416 5.5567 5.5567 5.8838 5.8838 6.1055 6.1055 7.0053 7.0053 8.1122 8.1122 11.4212 11.4212 11.7252 11.7252 12.3820 12.3820 12.9443 12.9443 13.3762 13.3762 k = 0.0000 0.5000 0.2330 ( 3790 PWs) bands (ev): -31.0727 -31.0727 -31.0709 -31.0709 -12.4750 -12.4750 -12.4505 -12.4505 -12.1578 -12.1578 -12.1248 -12.1248 -11.9903 -11.9903 -11.9866 -11.9866 -6.5732 -6.5732 -5.8165 -5.8165 -4.1115 -4.1115 -0.5613 -0.5613 -0.1016 -0.1016 1.4281 1.4281 3.6544 3.6544 3.7214 3.7214 3.7785 3.7785 4.3045 4.3045 5.0479 5.0479 5.5528 5.5528 5.8827 5.8827 6.1048 6.1048 7.0093 7.0093 8.0949 8.0949 11.4510 11.4510 11.7438 11.7438 12.3398 12.3398 12.9190 12.9190 13.3733 13.3733 k = 0.0000 0.5000 0.2447 ( 3776 PWs) bands (ev): -31.0722 -31.0722 -31.0713 -31.0713 -12.4740 -12.4740 -12.4509 -12.4509 -12.1575 -12.1575 -12.1254 -12.1254 -11.9901 -11.9901 -11.9870 -11.9870 -6.5731 -6.5731 -5.8163 -5.8163 -4.1114 -4.1114 -0.5614 -0.5614 -0.1022 -0.1022 1.4281 1.4281 3.6547 3.6547 3.7215 3.7215 3.7798 3.7798 4.3044 4.3044 5.0517 5.0517 5.5505 5.5505 5.8821 5.8821 6.1044 6.1044 7.0118 7.0118 8.0844 8.0844 11.4705 11.4705 11.7553 11.7553 12.3129 12.3129 12.9033 12.9033 13.3716 13.3716 k = 0.0000 0.5000 0.2563 ( 3776 PWs) bands (ev): -31.0719 -31.0719 -31.0717 -31.0717 -12.4736 -12.4736 -12.4511 -12.4511 -12.1574 -12.1574 -12.1256 -12.1256 -11.9900 -11.9900 -11.9872 -11.9872 -6.5731 -6.5731 -5.8162 -5.8162 -4.1114 -4.1114 -0.5614 -0.5614 -0.1024 -0.1024 1.4281 1.4281 3.6548 3.6548 3.7215 3.7215 3.7802 3.7802 4.3044 4.3044 5.0530 5.0530 5.5497 5.5497 5.8819 5.8819 6.1042 6.1042 7.0127 7.0127 8.0808 8.0808 11.4773 11.4773 11.7593 11.7593 12.3037 12.3037 12.8980 12.8980 13.3710 13.3710 k = 0.5000 0.5000-0.0000 ( 3796 PWs) bands (ev): -31.0696 -31.0696 -31.0571 -31.0571 -12.4945 -12.4945 -12.4675 -12.4675 -12.1475 -12.1475 -12.1352 -12.1352 -12.0603 -12.0603 -12.0444 -12.0444 -5.6535 -5.6535 -5.6465 -5.6465 -3.8620 -3.8620 -3.6180 -3.6180 1.1596 1.1596 1.1662 1.1662 1.8748 1.8748 2.6281 2.6281 4.9929 4.9929 4.9935 4.9935 5.2384 5.2384 5.2479 5.2479 5.8055 5.8055 8.2260 8.2260 8.6479 8.6479 8.6582 8.6582 10.5797 10.5797 10.5800 10.5800 11.7967 11.7967 13.8585 13.8585 13.9494 13.9494 k = 0.5000 0.5000 0.0117 ( 3796 PWs) bands (ev): -31.0695 -31.0695 -31.0571 -31.0571 -12.4944 -12.4944 -12.4675 -12.4675 -12.1475 -12.1475 -12.1350 -12.1350 -12.0604 -12.0604 -12.0445 -12.0445 -5.6535 -5.6535 -5.6465 -5.6465 -3.8617 -3.8617 -3.6184 -3.6184 1.1596 1.1596 1.1662 1.1662 1.8757 1.8757 2.6271 2.6271 4.9929 4.9929 4.9935 4.9935 5.2384 5.2384 5.2479 5.2479 5.8076 5.8076 8.2204 8.2204 8.6477 8.6477 8.6580 8.6580 10.5797 10.5797 10.5800 10.5800 11.8036 11.8036 13.8594 13.8594 13.9498 13.9498 k = 0.5000 0.5000 0.0233 ( 3808 PWs) bands (ev): -31.0695 -31.0695 -31.0572 -31.0572 -12.4941 -12.4941 -12.4675 -12.4675 -12.1474 -12.1474 -12.1346 -12.1346 -12.0607 -12.0607 -12.0451 -12.0451 -5.6535 -5.6535 -5.6465 -5.6465 -3.8608 -3.8608 -3.6194 -3.6194 1.1596 1.1596 1.1661 1.1661 1.8785 1.8785 2.6241 2.6241 4.9929 4.9929 4.9935 4.9935 5.2385 5.2385 5.2479 5.2479 5.8140 5.8140 8.2037 8.2037 8.6471 8.6471 8.6573 8.6573 10.5797 10.5797 10.5800 10.5800 11.8240 11.8240 13.8619 13.8619 13.9508 13.9508 k = 0.5000 0.5000 0.0350 ( 3808 PWs) bands (ev): -31.0694 -31.0694 -31.0573 -31.0573 -12.4937 -12.4937 -12.4675 -12.4675 -12.1473 -12.1473 -12.1339 -12.1339 -12.0613 -12.0613 -12.0460 -12.0460 -5.6534 -5.6534 -5.6465 -5.6465 -3.8594 -3.8594 -3.6210 -3.6210 1.1596 1.1596 1.1661 1.1661 1.8830 1.8830 2.6191 2.6191 4.9929 4.9929 4.9935 4.9935 5.2386 5.2386 5.2479 5.2479 5.8245 5.8245 8.1764 8.1764 8.6461 8.6461 8.6562 8.6562 10.5797 10.5797 10.5800 10.5800 11.8576 11.8576 13.8663 13.8663 13.9527 13.9527 k = 0.5000 0.5000 0.0466 ( 3816 PWs) bands (ev): -31.0693 -31.0693 -31.0574 -31.0574 -12.4930 -12.4930 -12.4674 -12.4674 -12.1471 -12.1471 -12.1330 -12.1330 -12.0621 -12.0621 -12.0472 -12.0472 -5.6533 -5.6533 -5.6465 -5.6465 -3.8574 -3.8574 -3.6233 -3.6233 1.1597 1.1597 1.1660 1.1660 1.8894 1.8894 2.6121 2.6121 4.9929 4.9929 4.9935 4.9935 5.2388 5.2388 5.2479 5.2479 5.8393 5.8393 8.1391 8.1391 8.6447 8.6447 8.6546 8.6546 10.5797 10.5797 10.5800 10.5800 11.9037 11.9037 13.8724 13.8724 13.9552 13.9552 k = 0.5000 0.5000 0.0583 ( 3816 PWs) bands (ev): -31.0692 -31.0692 -31.0575 -31.0575 -12.4923 -12.4923 -12.4674 -12.4674 -12.1468 -12.1468 -12.1318 -12.1318 -12.0631 -12.0631 -12.0487 -12.0487 -5.6531 -5.6531 -5.6465 -5.6465 -3.8548 -3.8548 -3.6262 -3.6262 1.1598 1.1598 1.1659 1.1659 1.8976 1.8976 2.6033 2.6033 4.9929 4.9929 4.9934 4.9934 5.2390 5.2390 5.2479 5.2479 5.8582 5.8582 8.0926 8.0926 8.6429 8.6429 8.6526 8.6526 10.5797 10.5797 10.5800 10.5800 11.9614 11.9614 13.8801 13.8801 13.9585 13.9585 k = 0.5000 0.5000 0.0699 ( 3792 PWs) bands (ev): -31.0690 -31.0690 -31.0577 -31.0577 -12.4913 -12.4913 -12.4672 -12.4672 -12.1464 -12.1464 -12.1303 -12.1303 -12.0644 -12.0644 -12.0503 -12.0503 -5.6529 -5.6529 -5.6465 -5.6465 -3.8516 -3.8516 -3.6298 -3.6298 1.1598 1.1598 1.1658 1.1658 1.9075 1.9075 2.5925 2.5925 4.9929 4.9929 4.9934 4.9934 5.2393 5.2393 5.2479 5.2479 5.8812 5.8812 8.0380 8.0380 8.6409 8.6409 8.6503 8.6503 10.5798 10.5798 10.5801 10.5801 12.0297 12.0297 13.8895 13.8895 13.9626 13.9626 k = 0.5000 0.5000 0.0816 ( 3792 PWs) bands (ev): -31.0688 -31.0688 -31.0579 -31.0579 -12.4902 -12.4902 -12.4671 -12.4671 -12.1458 -12.1458 -12.1287 -12.1287 -12.0659 -12.0659 -12.0523 -12.0523 -5.6527 -5.6527 -5.6465 -5.6465 -3.8480 -3.8480 -3.6339 -3.6339 1.1599 1.1599 1.1657 1.1657 1.9190 1.9190 2.5800 2.5800 4.9929 4.9929 4.9934 4.9934 5.2396 5.2396 5.2479 5.2479 5.9084 5.9084 7.9764 7.9764 8.6387 8.6387 8.6477 8.6477 10.5798 10.5798 10.5801 10.5801 12.1075 12.1075 13.9003 13.9003 13.9674 13.9674 k = 0.5000 0.5000 0.0932 ( 3792 PWs) bands (ev): -31.0686 -31.0686 -31.0581 -31.0581 -12.4891 -12.4891 -12.4670 -12.4670 -12.1451 -12.1451 -12.1270 -12.1270 -12.0676 -12.0676 -12.0544 -12.0544 -5.6525 -5.6525 -5.6466 -5.6466 -3.8438 -3.8438 -3.6386 -3.6386 1.1600 1.1600 1.1656 1.1656 1.9323 1.9323 2.5657 2.5657 4.9929 4.9929 4.9934 4.9934 5.2400 5.2400 5.2480 5.2480 5.9395 5.9395 7.9086 7.9086 8.6362 8.6362 8.6448 8.6448 10.5798 10.5798 10.5801 10.5801 12.1936 12.1936 13.9124 13.9124 13.9730 13.9730 k = 0.5000 0.5000 0.1049 ( 3776 PWs) bands (ev): -31.0683 -31.0683 -31.0583 -31.0583 -12.4878 -12.4878 -12.4668 -12.4668 -12.1442 -12.1442 -12.1250 -12.1250 -12.0696 -12.0696 -12.0567 -12.0567 -5.6522 -5.6522 -5.6466 -5.6466 -3.8390 -3.8390 -3.6439 -3.6439 1.1602 1.1602 1.1655 1.1655 1.9471 1.9471 2.5498 2.5498 4.9929 4.9929 4.9934 4.9934 5.2404 5.2404 5.2480 5.2480 5.9747 5.9747 7.8357 7.8357 8.6336 8.6336 8.6418 8.6418 10.5799 10.5799 10.5802 10.5802 12.2872 12.2872 13.9258 13.9258 13.9793 13.9793 k = 0.5000 0.5000 0.1165 ( 3776 PWs) bands (ev): -31.0680 -31.0680 -31.0586 -31.0586 -12.4864 -12.4864 -12.4667 -12.4667 -12.1432 -12.1432 -12.1230 -12.1230 -12.0719 -12.0719 -12.0592 -12.0592 -5.6519 -5.6519 -5.6466 -5.6466 -3.8339 -3.8339 -3.6496 -3.6496 1.1603 1.1603 1.1653 1.1653 1.9634 1.9634 2.5323 2.5323 4.9929 4.9929 4.9934 4.9934 5.2408 5.2408 5.2480 5.2480 6.0137 6.0137 7.7587 7.7587 8.6308 8.6308 8.6386 8.6386 10.5799 10.5799 10.5802 10.5802 12.3871 12.3871 13.9402 13.9402 13.9863 13.9863 k = 0.5000 0.5000 0.1282 ( 3768 PWs) bands (ev): -31.0677 -31.0677 -31.0589 -31.0589 -12.4851 -12.4851 -12.4666 -12.4666 -12.1419 -12.1419 -12.1209 -12.1209 -12.0745 -12.0745 -12.0617 -12.0617 -5.6516 -5.6516 -5.6467 -5.6467 -3.8282 -3.8282 -3.6558 -3.6558 1.1605 1.1605 1.1651 1.1651 1.9811 1.9811 2.5133 2.5133 4.9929 4.9929 4.9934 4.9934 5.2412 5.2412 5.2479 5.2479 6.0566 6.0566 7.6783 7.6783 8.6280 8.6280 8.6353 8.6353 10.5799 10.5799 10.5803 10.5803 12.4925 12.4925 13.9556 13.9556 13.9939 13.9939 k = 0.5000 0.5000 0.1398 ( 3752 PWs) bands (ev): -31.0674 -31.0674 -31.0593 -31.0593 -12.4836 -12.4836 -12.4666 -12.4666 -12.1403 -12.1403 -12.1185 -12.1185 -12.0773 -12.0773 -12.0643 -12.0643 -5.6513 -5.6513 -5.6467 -5.6467 -3.8221 -3.8221 -3.6625 -3.6625 1.1606 1.1606 1.1650 1.1650 2.0002 2.0002 2.4931 2.4931 4.9929 4.9929 4.9934 4.9934 5.2417 5.2417 5.2479 5.2479 6.1032 6.1032 7.5955 7.5955 8.6253 8.6253 8.6320 8.6320 10.5800 10.5800 10.5803 10.5803 12.6025 12.6025 13.9714 13.9714 14.0022 14.0022 k = 0.5000 0.5000 0.1515 ( 3752 PWs) bands (ev): -31.0670 -31.0670 -31.0596 -31.0596 -12.4821 -12.4821 -12.4666 -12.4666 -12.1386 -12.1386 -12.1162 -12.1162 -12.0803 -12.0803 -12.0670 -12.0670 -5.6510 -5.6510 -5.6468 -5.6468 -3.8156 -3.8156 -3.6695 -3.6695 1.1608 1.1608 1.1648 1.1648 2.0205 2.0205 2.4715 2.4715 4.9929 4.9929 4.9934 4.9934 5.2421 5.2421 5.2478 5.2478 6.1535 6.1535 7.5108 7.5108 8.6226 8.6226 8.6287 8.6287 10.5800 10.5800 10.5803 10.5803 12.7163 12.7163 13.9874 13.9874 14.0109 14.0109 k = 0.5000 0.5000 0.1631 ( 3752 PWs) bands (ev): -31.0667 -31.0667 -31.0600 -31.0600 -12.4806 -12.4806 -12.4668 -12.4668 -12.1366 -12.1366 -12.1137 -12.1137 -12.0836 -12.0836 -12.0697 -12.0697 -5.6507 -5.6507 -5.6469 -5.6469 -3.8087 -3.8087 -3.6770 -3.6770 1.1610 1.1610 1.1646 1.1646 2.0421 2.0421 2.4489 2.4489 4.9929 4.9929 4.9934 4.9934 5.2426 5.2426 5.2477 5.2477 6.2074 6.2074 7.4249 7.4249 8.6201 8.6201 8.6256 8.6256 10.5801 10.5801 10.5804 10.5804 12.8331 12.8331 14.0033 14.0033 14.0200 14.0200 k = 0.5000 0.5000 0.1748 ( 3752 PWs) bands (ev): -31.0663 -31.0663 -31.0603 -31.0603 -12.4791 -12.4791 -12.4669 -12.4669 -12.1345 -12.1345 -12.1112 -12.1112 -12.0871 -12.0871 -12.0725 -12.0725 -5.6504 -5.6504 -5.6470 -5.6470 -3.8015 -3.8015 -3.6847 -3.6847 1.1612 1.1612 1.1643 1.1643 2.0647 2.0647 2.4252 2.4252 4.9929 4.9929 4.9933 4.9933 5.2431 5.2431 5.2476 5.2476 6.2647 6.2647 7.3384 7.3384 8.6177 8.6177 8.6226 8.6226 10.5801 10.5801 10.5804 10.5804 12.9525 12.9525 14.0187 14.0187 14.0292 14.0292 k = 0.5000 0.5000 0.1864 ( 3760 PWs) bands (ev): -31.0659 -31.0659 -31.0607 -31.0607 -12.4777 -12.4777 -12.4672 -12.4672 -12.1321 -12.1321 -12.1086 -12.1086 -12.0908 -12.0908 -12.0752 -12.0752 -5.6500 -5.6500 -5.6471 -5.6471 -3.7939 -3.7939 -3.6927 -3.6927 1.1614 1.1614 1.1641 1.1641 2.0882 2.0882 2.4007 2.4007 4.9929 4.9929 4.9933 4.9933 5.2435 5.2435 5.2475 5.2475 6.3253 6.3253 7.2518 7.2518 8.6156 8.6156 8.6199 8.6199 10.5801 10.5801 10.5804 10.5804 13.0736 13.0736 14.0330 14.0330 14.0384 14.0384 k = 0.5000 0.5000 0.1981 ( 3760 PWs) bands (ev): -31.0655 -31.0655 -31.0612 -31.0612 -12.4763 -12.4763 -12.4676 -12.4676 -12.1294 -12.1294 -12.1060 -12.1060 -12.0945 -12.0945 -12.0780 -12.0780 -5.6497 -5.6497 -5.6473 -5.6473 -3.7861 -3.7861 -3.7010 -3.7010 1.1616 1.1616 1.1639 1.1639 2.1126 2.1126 2.3755 2.3755 4.9929 4.9929 4.9933 4.9933 5.2440 5.2440 5.2473 5.2473 6.3891 6.3891 7.1655 7.1655 8.6138 8.6138 8.6174 8.6174 10.5801 10.5801 10.5805 10.5805 13.1961 13.1961 14.0459 14.0459 14.0473 14.0473 k = 0.5000 0.5000 0.2097 ( 3764 PWs) bands (ev): -31.0651 -31.0651 -31.0616 -31.0616 -12.4750 -12.4750 -12.4680 -12.4680 -12.1266 -12.1266 -12.1033 -12.1033 -12.0984 -12.0984 -12.0808 -12.0808 -5.6494 -5.6494 -5.6474 -5.6474 -3.7780 -3.7780 -3.7094 -3.7094 1.1618 1.1618 1.1637 1.1637 2.1377 2.1377 2.3496 2.3496 4.9929 4.9929 4.9933 4.9933 5.2444 5.2444 5.2471 5.2471 6.4560 6.4560 7.0798 7.0798 8.6124 8.6124 8.6152 8.6152 10.5802 10.5802 10.5805 10.5805 13.3195 13.3195 14.0557 14.0557 14.0569 14.0569 k = 0.5000 0.5000 0.2214 ( 3748 PWs) bands (ev): -31.0647 -31.0647 -31.0620 -31.0620 -12.4737 -12.4737 -12.4685 -12.4685 -12.1234 -12.1234 -12.1022 -12.1022 -12.1005 -12.1005 -12.0836 -12.0836 -5.6491 -5.6491 -5.6476 -5.6476 -3.7697 -3.7697 -3.7179 -3.7179 1.1620 1.1620 1.1635 1.1635 2.1635 2.1635 2.3233 2.3233 4.9929 4.9929 4.9933 4.9933 5.2449 5.2449 5.2469 5.2469 6.5258 6.5258 6.9953 6.9953 8.6113 8.6113 8.6135 8.6135 10.5802 10.5802 10.5805 10.5805 13.4432 13.4432 14.0631 14.0631 14.0655 14.0655 k = 0.5000 0.5000 0.2330 ( 3772 PWs) bands (ev): -31.0642 -31.0642 -31.0624 -31.0624 -12.4726 -12.4726 -12.4692 -12.4692 -12.1203 -12.1203 -12.1060 -12.1060 -12.0978 -12.0978 -12.0865 -12.0865 -5.6488 -5.6488 -5.6478 -5.6478 -3.7613 -3.7613 -3.7266 -3.7266 1.1622 1.1622 1.1632 1.1632 2.1897 2.1897 2.2967 2.2967 4.9929 4.9929 4.9933 4.9933 5.2453 5.2453 5.2466 5.2466 6.5983 6.5983 6.9121 6.9121 8.6106 8.6106 8.6121 8.6121 10.5802 10.5802 10.5805 10.5805 13.5669 13.5669 14.0531 14.0532 14.0691 14.0691 k = 0.5000 0.5000 0.2447 ( 3780 PWs) bands (ev): -31.0638 -31.0638 -31.0629 -31.0629 -12.4716 -12.4716 -12.4699 -12.4699 -12.1170 -12.1170 -12.1098 -12.1098 -12.0950 -12.0950 -12.0893 -12.0893 -5.6486 -5.6486 -5.6480 -5.6480 -3.7527 -3.7527 -3.7353 -3.7353 1.1624 1.1624 1.1630 1.1630 2.2162 2.2162 2.2699 2.2699 4.9929 4.9929 4.9933 4.9933 5.2456 5.2456 5.2463 5.2463 6.6734 6.6734 6.8305 6.8305 8.6103 8.6103 8.6111 8.6111 10.5802 10.5802 10.5805 10.5805 13.6901 13.6901 13.9339 13.9339 14.0733 14.0733 k = 0.5000 0.5000 0.2563 ( 3792 PWs) bands (ev): -31.0633 -31.0633 -31.0633 -31.0633 -12.4708 -12.4708 -12.4708 -12.4708 -12.1135 -12.1135 -12.1135 -12.1135 -12.0922 -12.0922 -12.0922 -12.0922 -5.6484 -5.6484 -5.6482 -5.6482 -3.7442 -3.7442 -3.7439 -3.7439 1.1625 1.1625 1.1629 1.1629 2.2429 2.2429 2.2432 2.2432 4.9929 4.9929 4.9933 4.9933 5.2459 5.2459 5.2460 5.2460 6.7508 6.7508 6.7510 6.7510 8.6103 8.6103 8.6106 8.6106 10.5802 10.5802 10.5805 10.5805 13.8126 13.8126 13.8126 13.8126 14.0753 14.0753 Writing output data file CaxBCx2.save init_run : 0.60s CPU 0.99s WALL ( 1 calls) electrons : 264.48s CPU 270.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 264.48s CPU 270.46s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 361 calls) cegterg : 249.31s CPU 253.10s WALL ( 950 calls) Called by sum_band: Called by *egterg: h_psi : 99.66s CPU 102.09s WALL ( 16933 calls) s_psi : 9.03s CPU 9.12s WALL ( 16933 calls) g_psi : 0.37s CPU 0.36s WALL ( 15622 calls) cdiaghg : 122.46s CPU 124.28s WALL ( 15983 calls) cegterg:over : 10.29s CPU 10.42s WALL ( 15622 calls) cegterg:upda : 10.25s CPU 9.87s WALL ( 15622 calls) cegterg:last : 4.72s CPU 4.78s WALL ( 2033 calls) cdiaghg:chol : 6.91s CPU 6.93s WALL ( 15983 calls) cdiaghg:inve : 4.68s CPU 4.73s WALL ( 15983 calls) cdiaghg:para : 7.46s CPU 7.59s WALL ( 31966 calls) Called by h_psi: h_psi:vloc : 76.51s CPU 78.40s WALL ( 16933 calls) h_psi:vnl : 22.77s CPU 23.29s WALL ( 16933 calls) add_vuspsi : 11.18s CPU 11.49s WALL ( 16933 calls) General routines calbec : 11.54s CPU 11.75s WALL ( 16933 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 69.40s CPU 71.28s WALL ( 1402796 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.28s WALL ( 722 calls) Parallel routines fft_scatter : 36.55s CPU 37.41s WALL ( 1402819 calls) PWSCF : 4m42.92s CPU 5m30.05s WALL This run was terminated on: 16:22:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=