Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:53:13 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: ./GeS.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 19 5 1262 1033 163 Max 23 20 6 1273 1056 176 Sum 807 711 211 45595 37513 6221 bravais-lattice index = 14 lattice parameter (alat) = 6.8786 a.u. unit-cell volume = 1098.0520 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.878603 celldm(2)= 1.178571 celldm(3)= 2.862637 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 1.178571 0.000000 ) a(3) = ( 0.000000 0.000000 2.862637 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.848485 -0.000000 ) b(3) = ( 0.000000 0.000000 0.349328 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) S 6.00 32.06500 S( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5892857 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4313187 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5892857 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4313187 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5892857 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4313187 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5892857 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4313187 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0025000 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0025000 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0025000 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0025000 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0025000 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0025000 k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0025000 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0025000 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0025000 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0025000 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0025000 k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0025000 k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0025000 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0025000 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0025000 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0025000 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0025000 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0025000 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0025000 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0025000 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0025000 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0025000 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0025000 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0025000 k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0025000 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0025000 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0025000 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0025000 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0114660 -0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0229320 -0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.0343980 -0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.0458640 -0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.0573301 -0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.0687961 -0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.0802621 -0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.0917281 -0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.1031941 -0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.1146601 -0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.1261261 -0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.1375921 -0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.1490582 -0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.1605242 -0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.1719902 -0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.1834562 -0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.1949222 -0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.2063882 -0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.2178542 -0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.2293202 -0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.2407862 -0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.2522523 -0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.2637183 -0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.2751843 -0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.2866503 -0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.2981163 -0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.3095823 -0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.3210483 -0.0000000), wk = 0.0025000 k( 75) = ( 0.5000000 0.3325143 -0.0000000), wk = 0.0025000 k( 76) = ( 0.5000000 0.3439803 -0.0000000), wk = 0.0025000 k( 77) = ( 0.5000000 0.3554464 -0.0000000), wk = 0.0025000 k( 78) = ( 0.5000000 0.3669124 -0.0000000), wk = 0.0025000 k( 79) = ( 0.5000000 0.3783784 -0.0000000), wk = 0.0025000 k( 80) = ( 0.5000000 0.3898444 -0.0000000), wk = 0.0025000 k( 81) = ( 0.5000000 0.4013104 -0.0000000), wk = 0.0025000 k( 82) = ( 0.5000000 0.4127764 -0.0000000), wk = 0.0025000 k( 83) = ( 0.5000000 0.4242424 -0.0000000), wk = 0.0025000 k( 84) = ( 0.5000000 0.4242424 -0.0000000), wk = 0.0025000 k( 85) = ( 0.4886364 0.4242424 -0.0000000), wk = 0.0025000 k( 86) = ( 0.4772727 0.4242424 -0.0000000), wk = 0.0025000 k( 87) = ( 0.4659091 0.4242424 -0.0000000), wk = 0.0025000 k( 88) = ( 0.4545455 0.4242424 -0.0000000), wk = 0.0025000 k( 89) = ( 0.4431818 0.4242424 -0.0000000), wk = 0.0025000 k( 90) = ( 0.4318182 0.4242424 -0.0000000), wk = 0.0025000 k( 91) = ( 0.4204545 0.4242424 -0.0000000), wk = 0.0025000 k( 92) = ( 0.4090909 0.4242424 -0.0000000), wk = 0.0025000 k( 93) = ( 0.3977273 0.4242424 -0.0000000), wk = 0.0025000 k( 94) = ( 0.3863636 0.4242424 -0.0000000), wk = 0.0025000 k( 95) = ( 0.3750000 0.4242424 -0.0000000), wk = 0.0025000 k( 96) = ( 0.3636364 0.4242424 -0.0000000), wk = 0.0025000 k( 97) = ( 0.3522727 0.4242424 -0.0000000), wk = 0.0025000 k( 98) = ( 0.3409091 0.4242424 -0.0000000), wk = 0.0025000 k( 99) = ( 0.3295455 0.4242424 -0.0000000), wk = 0.0025000 k( 100) = ( 0.3181818 0.4242424 -0.0000000), wk = 0.0025000 k( 101) = ( 0.3068182 0.4242424 -0.0000000), wk = 0.0025000 k( 102) = ( 0.2954545 0.4242424 -0.0000000), wk = 0.0025000 k( 103) = ( 0.2840909 0.4242424 -0.0000000), wk = 0.0025000 k( 104) = ( 0.2727273 0.4242424 -0.0000000), wk = 0.0025000 k( 105) = ( 0.2613636 0.4242424 -0.0000000), wk = 0.0025000 k( 106) = ( 0.2500000 0.4242424 -0.0000000), wk = 0.0025000 k( 107) = ( 0.2386364 0.4242424 -0.0000000), wk = 0.0025000 k( 108) = ( 0.2272727 0.4242424 -0.0000000), wk = 0.0025000 k( 109) = ( 0.2159091 0.4242424 -0.0000000), wk = 0.0025000 k( 110) = ( 0.2045454 0.4242424 -0.0000000), wk = 0.0025000 k( 111) = ( 0.1931818 0.4242424 -0.0000000), wk = 0.0025000 k( 112) = ( 0.1818182 0.4242424 -0.0000000), wk = 0.0025000 k( 113) = ( 0.1704546 0.4242424 -0.0000000), wk = 0.0025000 k( 114) = ( 0.1590909 0.4242424 -0.0000000), wk = 0.0025000 k( 115) = ( 0.1477273 0.4242424 -0.0000000), wk = 0.0025000 k( 116) = ( 0.1363636 0.4242424 -0.0000000), wk = 0.0025000 k( 117) = ( 0.1250000 0.4242424 -0.0000000), wk = 0.0025000 k( 118) = ( 0.1136364 0.4242424 -0.0000000), wk = 0.0025000 k( 119) = ( 0.1022727 0.4242424 -0.0000000), wk = 0.0025000 k( 120) = ( 0.0909091 0.4242424 -0.0000000), wk = 0.0025000 k( 121) = ( 0.0795455 0.4242424 -0.0000000), wk = 0.0025000 k( 122) = ( 0.0681818 0.4242424 -0.0000000), wk = 0.0025000 k( 123) = ( 0.0568182 0.4242424 -0.0000000), wk = 0.0025000 k( 124) = ( 0.0454546 0.4242424 -0.0000000), wk = 0.0025000 k( 125) = ( 0.0340909 0.4242424 -0.0000000), wk = 0.0025000 k( 126) = ( 0.0227273 0.4242424 -0.0000000), wk = 0.0025000 k( 127) = ( 0.0113636 0.4242424 -0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.4127764 -0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.4013104 -0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.3898444 -0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.3669124 -0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.3554464 -0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.3439803 -0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.3325143 -0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.3210483 -0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.3095823 -0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.2981163 -0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.2866503 -0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.2751843 -0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.2637183 -0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.2522523 -0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.2407862 -0.0000000), wk = 0.0025000 k( 146) = ( 0.0000000 0.2293202 -0.0000000), wk = 0.0025000 k( 147) = ( 0.0000000 0.2178542 -0.0000000), wk = 0.0025000 k( 148) = ( 0.0000000 0.2063882 -0.0000000), wk = 0.0025000 k( 149) = ( 0.0000000 0.1949222 -0.0000000), wk = 0.0025000 k( 150) = ( 0.0000000 0.1834562 -0.0000000), wk = 0.0025000 k( 151) = ( 0.0000000 0.1719902 -0.0000000), wk = 0.0025000 k( 152) = ( 0.0000000 0.1605242 -0.0000000), wk = 0.0025000 k( 153) = ( 0.0000000 0.1490582 -0.0000000), wk = 0.0025000 k( 154) = ( 0.0000000 0.1375921 -0.0000000), wk = 0.0025000 k( 155) = ( 0.0000000 0.1261261 -0.0000000), wk = 0.0025000 k( 156) = ( 0.0000000 0.1146601 -0.0000000), wk = 0.0025000 k( 157) = ( 0.0000000 0.1031941 -0.0000000), wk = 0.0025000 k( 158) = ( 0.0000000 0.0917281 -0.0000000), wk = 0.0025000 k( 159) = ( 0.0000000 0.0802621 -0.0000000), wk = 0.0025000 k( 160) = ( 0.0000000 0.0687961 -0.0000000), wk = 0.0025000 k( 161) = ( 0.0000000 0.0573301 -0.0000000), wk = 0.0025000 k( 162) = ( 0.0000000 0.0458640 -0.0000000), wk = 0.0025000 k( 163) = ( 0.0000000 0.0343980 -0.0000000), wk = 0.0025000 k( 164) = ( 0.0000000 0.0229320 -0.0000000), wk = 0.0025000 k( 165) = ( 0.0000000 0.0114660 -0.0000000), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.0109165), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.0218330), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.0327495), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.0436660), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.0545825), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.0654990), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.0764155), wk = 0.0025000 k( 175) = ( 0.0000000 0.0000000 0.0873321), wk = 0.0025000 k( 176) = ( 0.0000000 0.0000000 0.0982486), wk = 0.0025000 k( 177) = ( 0.0000000 0.0000000 0.1091651), wk = 0.0025000 k( 178) = ( 0.0000000 0.0000000 0.1200816), wk = 0.0025000 k( 179) = ( 0.0000000 0.0000000 0.1309981), wk = 0.0025000 k( 180) = ( 0.0000000 0.0000000 0.1419146), wk = 0.0025000 k( 181) = ( 0.0000000 0.0000000 0.1528311), wk = 0.0025000 k( 182) = ( 0.0000000 0.0000000 0.1637476), wk = 0.0025000 k( 183) = ( 0.0000000 0.0000000 0.1746641), wk = 0.0025000 k( 184) = ( 0.0000000 0.0000000 0.1746641), wk = 0.0025000 k( 185) = ( 0.0113636 -0.0000000 0.1746641), wk = 0.0025000 k( 186) = ( 0.0227273 -0.0000000 0.1746641), wk = 0.0025000 k( 187) = ( 0.0340909 -0.0000000 0.1746641), wk = 0.0025000 k( 188) = ( 0.0454546 -0.0000000 0.1746641), wk = 0.0025000 k( 189) = ( 0.0568182 -0.0000000 0.1746641), wk = 0.0025000 k( 190) = ( 0.0681818 -0.0000000 0.1746641), wk = 0.0025000 k( 191) = ( 0.0795455 -0.0000000 0.1746641), wk = 0.0025000 k( 192) = ( 0.0909091 -0.0000000 0.1746641), wk = 0.0025000 k( 193) = ( 0.1022727 -0.0000000 0.1746641), wk = 0.0025000 k( 194) = ( 0.1136364 -0.0000000 0.1746641), wk = 0.0025000 k( 195) = ( 0.1250000 -0.0000000 0.1746641), wk = 0.0025000 k( 196) = ( 0.1363636 -0.0000000 0.1746641), wk = 0.0025000 k( 197) = ( 0.1477273 -0.0000000 0.1746641), wk = 0.0025000 k( 198) = ( 0.1590909 -0.0000000 0.1746641), wk = 0.0025000 k( 199) = ( 0.1704546 -0.0000000 0.1746641), wk = 0.0025000 k( 200) = ( 0.1818182 -0.0000000 0.1746641), wk = 0.0025000 k( 201) = ( 0.1931818 -0.0000000 0.1746641), wk = 0.0025000 k( 202) = ( 0.2045454 -0.0000000 0.1746641), wk = 0.0025000 k( 203) = ( 0.2159091 -0.0000000 0.1746641), wk = 0.0025000 k( 204) = ( 0.2272727 -0.0000000 0.1746641), wk = 0.0025000 k( 205) = ( 0.2386364 -0.0000000 0.1746641), wk = 0.0025000 k( 206) = ( 0.2500000 -0.0000000 0.1746641), wk = 0.0025000 k( 207) = ( 0.2613636 -0.0000000 0.1746641), wk = 0.0025000 k( 208) = ( 0.2727273 -0.0000000 0.1746641), wk = 0.0025000 k( 209) = ( 0.2840909 -0.0000000 0.1746641), wk = 0.0025000 k( 210) = ( 0.2954545 -0.0000000 0.1746641), wk = 0.0025000 k( 211) = ( 0.3068182 -0.0000000 0.1746641), wk = 0.0025000 k( 212) = ( 0.3181818 -0.0000000 0.1746641), wk = 0.0025000 k( 213) = ( 0.3295455 -0.0000000 0.1746641), wk = 0.0025000 k( 214) = ( 0.3409091 -0.0000000 0.1746641), wk = 0.0025000 k( 215) = ( 0.3522727 -0.0000000 0.1746641), wk = 0.0025000 k( 216) = ( 0.3636364 -0.0000000 0.1746641), wk = 0.0025000 k( 217) = ( 0.3750000 -0.0000000 0.1746641), wk = 0.0025000 k( 218) = ( 0.3863636 -0.0000000 0.1746641), wk = 0.0025000 k( 219) = ( 0.3977273 -0.0000000 0.1746641), wk = 0.0025000 k( 220) = ( 0.4090909 -0.0000000 0.1746641), wk = 0.0025000 k( 221) = ( 0.4204545 -0.0000000 0.1746641), wk = 0.0025000 k( 222) = ( 0.4318182 -0.0000000 0.1746641), wk = 0.0025000 k( 223) = ( 0.4431818 -0.0000000 0.1746641), wk = 0.0025000 k( 224) = ( 0.4545455 -0.0000000 0.1746641), wk = 0.0025000 k( 225) = ( 0.4659091 -0.0000000 0.1746641), wk = 0.0025000 k( 226) = ( 0.4772727 -0.0000000 0.1746641), wk = 0.0025000 k( 227) = ( 0.4886364 -0.0000000 0.1746641), wk = 0.0025000 k( 228) = ( 0.5000000 -0.0000000 0.1746641), wk = 0.0025000 k( 229) = ( 0.5000000 -0.0000000 0.1746641), wk = 0.0025000 k( 230) = ( 0.5000000 0.0114660 0.1746641), wk = 0.0025000 k( 231) = ( 0.5000000 0.0229320 0.1746641), wk = 0.0025000 k( 232) = ( 0.5000000 0.0343980 0.1746641), wk = 0.0025000 k( 233) = ( 0.5000000 0.0458640 0.1746641), wk = 0.0025000 k( 234) = ( 0.5000000 0.0573301 0.1746641), wk = 0.0025000 k( 235) = ( 0.5000000 0.0687961 0.1746641), wk = 0.0025000 k( 236) = ( 0.5000000 0.0802621 0.1746641), wk = 0.0025000 k( 237) = ( 0.5000000 0.0917281 0.1746641), wk = 0.0025000 k( 238) = ( 0.5000000 0.1031941 0.1746641), wk = 0.0025000 k( 239) = ( 0.5000000 0.1146601 0.1746641), wk = 0.0025000 k( 240) = ( 0.5000000 0.1261261 0.1746641), wk = 0.0025000 k( 241) = ( 0.5000000 0.1375921 0.1746641), wk = 0.0025000 k( 242) = ( 0.5000000 0.1490582 0.1746641), wk = 0.0025000 k( 243) = ( 0.5000000 0.1605242 0.1746641), wk = 0.0025000 k( 244) = ( 0.5000000 0.1719902 0.1746641), wk = 0.0025000 k( 245) = ( 0.5000000 0.1834562 0.1746641), wk = 0.0025000 k( 246) = ( 0.5000000 0.1949222 0.1746641), wk = 0.0025000 k( 247) = ( 0.5000000 0.2063882 0.1746641), wk = 0.0025000 k( 248) = ( 0.5000000 0.2178542 0.1746641), wk = 0.0025000 k( 249) = ( 0.5000000 0.2293202 0.1746641), wk = 0.0025000 k( 250) = ( 0.5000000 0.2407862 0.1746641), wk = 0.0025000 k( 251) = ( 0.5000000 0.2522523 0.1746641), wk = 0.0025000 k( 252) = ( 0.5000000 0.2637183 0.1746641), wk = 0.0025000 k( 253) = ( 0.5000000 0.2751843 0.1746641), wk = 0.0025000 k( 254) = ( 0.5000000 0.2866503 0.1746641), wk = 0.0025000 k( 255) = ( 0.5000000 0.2981163 0.1746641), wk = 0.0025000 k( 256) = ( 0.5000000 0.3095823 0.1746641), wk = 0.0025000 k( 257) = ( 0.5000000 0.3210483 0.1746641), wk = 0.0025000 k( 258) = ( 0.5000000 0.3325143 0.1746641), wk = 0.0025000 k( 259) = ( 0.5000000 0.3439803 0.1746641), wk = 0.0025000 k( 260) = ( 0.5000000 0.3554464 0.1746641), wk = 0.0025000 k( 261) = ( 0.5000000 0.3669124 0.1746641), wk = 0.0025000 k( 262) = ( 0.5000000 0.3783784 0.1746641), wk = 0.0025000 k( 263) = ( 0.5000000 0.3898444 0.1746641), wk = 0.0025000 k( 264) = ( 0.5000000 0.4013104 0.1746641), wk = 0.0025000 k( 265) = ( 0.5000000 0.4127764 0.1746641), wk = 0.0025000 k( 266) = ( 0.5000000 0.4242424 0.1746641), wk = 0.0025000 k( 267) = ( 0.5000000 0.4242424 0.1746641), wk = 0.0025000 k( 268) = ( 0.4886364 0.4242424 0.1746641), wk = 0.0025000 k( 269) = ( 0.4772727 0.4242424 0.1746641), wk = 0.0025000 k( 270) = ( 0.4659091 0.4242424 0.1746641), wk = 0.0025000 k( 271) = ( 0.4545455 0.4242424 0.1746641), wk = 0.0025000 k( 272) = ( 0.4431818 0.4242424 0.1746641), wk = 0.0025000 k( 273) = ( 0.4318182 0.4242424 0.1746641), wk = 0.0025000 k( 274) = ( 0.4204545 0.4242424 0.1746641), wk = 0.0025000 k( 275) = ( 0.4090909 0.4242424 0.1746641), wk = 0.0025000 k( 276) = ( 0.3977273 0.4242424 0.1746641), wk = 0.0025000 k( 277) = ( 0.3863636 0.4242424 0.1746641), wk = 0.0025000 k( 278) = ( 0.3750000 0.4242424 0.1746641), wk = 0.0025000 k( 279) = ( 0.3636364 0.4242424 0.1746641), wk = 0.0025000 k( 280) = ( 0.3522727 0.4242424 0.1746641), wk = 0.0025000 k( 281) = ( 0.3409091 0.4242424 0.1746641), wk = 0.0025000 k( 282) = ( 0.3295455 0.4242424 0.1746641), wk = 0.0025000 k( 283) = ( 0.3181818 0.4242424 0.1746641), wk = 0.0025000 k( 284) = ( 0.3068182 0.4242424 0.1746641), wk = 0.0025000 k( 285) = ( 0.2954545 0.4242424 0.1746641), wk = 0.0025000 k( 286) = ( 0.2840909 0.4242424 0.1746641), wk = 0.0025000 k( 287) = ( 0.2727273 0.4242424 0.1746641), wk = 0.0025000 k( 288) = ( 0.2613636 0.4242424 0.1746641), wk = 0.0025000 k( 289) = ( 0.2500000 0.4242424 0.1746641), wk = 0.0025000 k( 290) = ( 0.2386364 0.4242424 0.1746641), wk = 0.0025000 k( 291) = ( 0.2272727 0.4242424 0.1746641), wk = 0.0025000 k( 292) = ( 0.2159091 0.4242424 0.1746641), wk = 0.0025000 k( 293) = ( 0.2045454 0.4242424 0.1746641), wk = 0.0025000 k( 294) = ( 0.1931818 0.4242424 0.1746641), wk = 0.0025000 k( 295) = ( 0.1818182 0.4242424 0.1746641), wk = 0.0025000 k( 296) = ( 0.1704546 0.4242424 0.1746641), wk = 0.0025000 k( 297) = ( 0.1590909 0.4242424 0.1746641), wk = 0.0025000 k( 298) = ( 0.1477273 0.4242424 0.1746641), wk = 0.0025000 k( 299) = ( 0.1363636 0.4242424 0.1746641), wk = 0.0025000 k( 300) = ( 0.1250000 0.4242424 0.1746641), wk = 0.0025000 k( 301) = ( 0.1136364 0.4242424 0.1746641), wk = 0.0025000 k( 302) = ( 0.1022727 0.4242424 0.1746641), wk = 0.0025000 k( 303) = ( 0.0909091 0.4242424 0.1746641), wk = 0.0025000 k( 304) = ( 0.0795455 0.4242424 0.1746641), wk = 0.0025000 k( 305) = ( 0.0681818 0.4242424 0.1746641), wk = 0.0025000 k( 306) = ( 0.0568182 0.4242424 0.1746641), wk = 0.0025000 k( 307) = ( 0.0454546 0.4242424 0.1746641), wk = 0.0025000 k( 308) = ( 0.0340909 0.4242424 0.1746641), wk = 0.0025000 k( 309) = ( 0.0227273 0.4242424 0.1746641), wk = 0.0025000 k( 310) = ( 0.0113636 0.4242424 0.1746641), wk = 0.0025000 k( 311) = ( 0.0000000 0.4242424 0.1746641), wk = 0.0025000 k( 312) = ( 0.0000000 0.4242424 0.1746641), wk = 0.0025000 k( 313) = ( 0.0000000 0.4127764 0.1746641), wk = 0.0025000 k( 314) = ( 0.0000000 0.4013104 0.1746641), wk = 0.0025000 k( 315) = ( 0.0000000 0.3898444 0.1746641), wk = 0.0025000 k( 316) = ( 0.0000000 0.3783784 0.1746641), wk = 0.0025000 k( 317) = ( 0.0000000 0.3669124 0.1746641), wk = 0.0025000 k( 318) = ( 0.0000000 0.3554464 0.1746641), wk = 0.0025000 k( 319) = ( 0.0000000 0.3439803 0.1746641), wk = 0.0025000 k( 320) = ( 0.0000000 0.3325143 0.1746641), wk = 0.0025000 k( 321) = ( 0.0000000 0.3210483 0.1746641), wk = 0.0025000 k( 322) = ( 0.0000000 0.3095823 0.1746641), wk = 0.0025000 k( 323) = ( 0.0000000 0.2981163 0.1746641), wk = 0.0025000 k( 324) = ( 0.0000000 0.2866503 0.1746641), wk = 0.0025000 k( 325) = ( 0.0000000 0.2751843 0.1746641), wk = 0.0025000 k( 326) = ( 0.0000000 0.2637183 0.1746641), wk = 0.0025000 k( 327) = ( 0.0000000 0.2522523 0.1746641), wk = 0.0025000 k( 328) = ( 0.0000000 0.2407862 0.1746641), wk = 0.0025000 k( 329) = ( 0.0000000 0.2293202 0.1746641), wk = 0.0025000 k( 330) = ( 0.0000000 0.2178542 0.1746641), wk = 0.0025000 k( 331) = ( 0.0000000 0.2063882 0.1746641), wk = 0.0025000 k( 332) = ( 0.0000000 0.1949222 0.1746641), wk = 0.0025000 k( 333) = ( 0.0000000 0.1834562 0.1746641), wk = 0.0025000 k( 334) = ( 0.0000000 0.1719902 0.1746641), wk = 0.0025000 k( 335) = ( 0.0000000 0.1605242 0.1746641), wk = 0.0025000 k( 336) = ( 0.0000000 0.1490582 0.1746641), wk = 0.0025000 k( 337) = ( 0.0000000 0.1375921 0.1746641), wk = 0.0025000 k( 338) = ( 0.0000000 0.1261261 0.1746641), wk = 0.0025000 k( 339) = ( 0.0000000 0.1146601 0.1746641), wk = 0.0025000 k( 340) = ( 0.0000000 0.1031941 0.1746641), wk = 0.0025000 k( 341) = ( 0.0000000 0.0917281 0.1746641), wk = 0.0025000 k( 342) = ( 0.0000000 0.0802621 0.1746641), wk = 0.0025000 k( 343) = ( 0.0000000 0.0687961 0.1746641), wk = 0.0025000 k( 344) = ( 0.0000000 0.0573301 0.1746641), wk = 0.0025000 k( 345) = ( 0.0000000 0.0458640 0.1746641), wk = 0.0025000 k( 346) = ( 0.0000000 0.0343980 0.1746641), wk = 0.0025000 k( 347) = ( 0.0000000 0.0229320 0.1746641), wk = 0.0025000 k( 348) = ( 0.0000000 0.0114660 0.1746641), wk = 0.0025000 k( 349) = ( 0.0000000 0.0000000 0.1746641), wk = 0.0025000 k( 350) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0025000 k( 351) = ( 0.0000000 0.4242424 0.0109165), wk = 0.0025000 k( 352) = ( 0.0000000 0.4242424 0.0218330), wk = 0.0025000 k( 353) = ( 0.0000000 0.4242424 0.0327495), wk = 0.0025000 k( 354) = ( 0.0000000 0.4242424 0.0436660), wk = 0.0025000 k( 355) = ( 0.0000000 0.4242424 0.0545825), wk = 0.0025000 k( 356) = ( 0.0000000 0.4242424 0.0654990), wk = 0.0025000 k( 357) = ( 0.0000000 0.4242424 0.0764155), wk = 0.0025000 k( 358) = ( 0.0000000 0.4242424 0.0873321), wk = 0.0025000 k( 359) = ( 0.0000000 0.4242424 0.0982486), wk = 0.0025000 k( 360) = ( 0.0000000 0.4242424 0.1091651), wk = 0.0025000 k( 361) = ( 0.0000000 0.4242424 0.1200816), wk = 0.0025000 k( 362) = ( 0.0000000 0.4242424 0.1309981), wk = 0.0025000 k( 363) = ( 0.0000000 0.4242424 0.1419146), wk = 0.0025000 k( 364) = ( 0.0000000 0.4242424 0.1528311), wk = 0.0025000 k( 365) = ( 0.0000000 0.4242424 0.1637476), wk = 0.0025000 k( 366) = ( 0.0000000 0.4242424 0.1746641), wk = 0.0025000 k( 367) = ( 0.5000000 -0.0000000 0.1746641), wk = 0.0025000 k( 368) = ( 0.5000000 -0.0000000 0.1637476), wk = 0.0025000 k( 369) = ( 0.5000000 -0.0000000 0.1528311), wk = 0.0025000 k( 370) = ( 0.5000000 -0.0000000 0.1419146), wk = 0.0025000 k( 371) = ( 0.5000000 -0.0000000 0.1309981), wk = 0.0025000 k( 372) = ( 0.5000000 -0.0000000 0.1200816), wk = 0.0025000 k( 373) = ( 0.5000000 -0.0000000 0.1091651), wk = 0.0025000 k( 374) = ( 0.5000000 -0.0000000 0.0982486), wk = 0.0025000 k( 375) = ( 0.5000000 -0.0000000 0.0873321), wk = 0.0025000 k( 376) = ( 0.5000000 -0.0000000 0.0764155), wk = 0.0025000 k( 377) = ( 0.5000000 -0.0000000 0.0654990), wk = 0.0025000 k( 378) = ( 0.5000000 -0.0000000 0.0545825), wk = 0.0025000 k( 379) = ( 0.5000000 -0.0000000 0.0436660), wk = 0.0025000 k( 380) = ( 0.5000000 -0.0000000 0.0327495), wk = 0.0025000 k( 381) = ( 0.5000000 -0.0000000 0.0218330), wk = 0.0025000 k( 382) = ( 0.5000000 -0.0000000 0.0109165), wk = 0.0025000 k( 383) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 384) = ( 0.5000000 0.4242424 -0.0000000), wk = 0.0025000 k( 385) = ( 0.5000000 0.4242424 0.0109165), wk = 0.0025000 k( 386) = ( 0.5000000 0.4242424 0.0218330), wk = 0.0025000 k( 387) = ( 0.5000000 0.4242424 0.0327495), wk = 0.0025000 k( 388) = ( 0.5000000 0.4242424 0.0436660), wk = 0.0025000 k( 389) = ( 0.5000000 0.4242424 0.0545825), wk = 0.0025000 k( 390) = ( 0.5000000 0.4242424 0.0654990), wk = 0.0025000 k( 391) = ( 0.5000000 0.4242424 0.0764155), wk = 0.0025000 k( 392) = ( 0.5000000 0.4242424 0.0873321), wk = 0.0025000 k( 393) = ( 0.5000000 0.4242424 0.0982486), wk = 0.0025000 k( 394) = ( 0.5000000 0.4242424 0.1091651), wk = 0.0025000 k( 395) = ( 0.5000000 0.4242424 0.1200816), wk = 0.0025000 k( 396) = ( 0.5000000 0.4242424 0.1309981), wk = 0.0025000 k( 397) = ( 0.5000000 0.4242424 0.1419146), wk = 0.0025000 k( 398) = ( 0.5000000 0.4242424 0.1528311), wk = 0.0025000 k( 399) = ( 0.5000000 0.4242424 0.1637476), wk = 0.0025000 k( 400) = ( 0.5000000 0.4242424 0.1746641), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0025000 k( 3) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0025000 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0025000 k( 5) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0025000 k( 6) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0025000 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0025000 k( 8) = ( 0.0795455 -0.0000000 0.0000000), wk = 0.0025000 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0025000 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0025000 k( 11) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0025000 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0025000 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0025000 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0025000 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0025000 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0025000 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0025000 k( 18) = ( 0.1931818 -0.0000000 0.0000000), wk = 0.0025000 k( 19) = ( 0.2045454 -0.0000000 0.0000000), wk = 0.0025000 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0025000 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0025000 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0025000 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0025000 k( 24) = ( 0.2613636 -0.0000000 0.0000000), wk = 0.0025000 k( 25) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0025000 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0025000 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0025000 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0025000 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0025000 k( 30) = ( 0.3295455 -0.0000000 0.0000000), wk = 0.0025000 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0025000 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0025000 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0025000 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0025000 k( 35) = ( 0.3863636 -0.0000000 0.0000000), wk = 0.0025000 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0025000 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0025000 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0025000 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0025000 k( 40) = ( 0.4431818 -0.0000000 0.0000000), wk = 0.0025000 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0025000 k( 42) = ( 0.4659091 -0.0000000 0.0000000), wk = 0.0025000 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0025000 k( 44) = ( 0.4886364 -0.0000000 0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0135135 0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0270270 0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.0405405 0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.0540540 0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.0675676 0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.0810811 0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.0945946 0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.1081081 0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.1216216 0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.1351351 0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.1486486 0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.1621622 0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.1756757 0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.1891892 0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.2027027 0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.2162162 0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.2297297 0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.2432432 0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.2567568 0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.2702703 0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.2837838 0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.2972973 0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.3108108 0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.3243243 0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.3378378 -0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.3513514 0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.3648649 0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.3783784 0.0000000), wk = 0.0025000 k( 75) = ( 0.5000000 0.3918919 0.0000000), wk = 0.0025000 k( 76) = ( 0.5000000 0.4054054 -0.0000000), wk = 0.0025000 k( 77) = ( 0.5000000 0.4189189 0.0000000), wk = 0.0025000 k( 78) = ( 0.5000000 0.4324324 -0.0000000), wk = 0.0025000 k( 79) = ( 0.5000000 0.4459459 0.0000000), wk = 0.0025000 k( 80) = ( 0.5000000 0.4594595 0.0000000), wk = 0.0025000 k( 81) = ( 0.5000000 0.4729730 0.0000000), wk = 0.0025000 k( 82) = ( 0.5000000 0.4864865 0.0000000), wk = 0.0025000 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 85) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0025000 k( 86) = ( 0.4772727 0.5000000 0.0000000), wk = 0.0025000 k( 87) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0025000 k( 88) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0025000 k( 89) = ( 0.4431818 0.5000000 0.0000000), wk = 0.0025000 k( 90) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0025000 k( 91) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0025000 k( 92) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0025000 k( 93) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0025000 k( 94) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0025000 k( 95) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0025000 k( 96) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0025000 k( 97) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0025000 k( 98) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0025000 k( 99) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0025000 k( 100) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0025000 k( 101) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0025000 k( 102) = ( 0.2954545 0.5000000 0.0000000), wk = 0.0025000 k( 103) = ( 0.2840909 0.5000000 0.0000000), wk = 0.0025000 k( 104) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0025000 k( 105) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0025000 k( 106) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0025000 k( 107) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0025000 k( 108) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0025000 k( 109) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0025000 k( 110) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0025000 k( 111) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0025000 k( 112) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0025000 k( 113) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0025000 k( 114) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0025000 k( 115) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0025000 k( 116) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0025000 k( 117) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0025000 k( 118) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0025000 k( 119) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0025000 k( 120) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0025000 k( 121) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0025000 k( 122) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0025000 k( 123) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0025000 k( 124) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0025000 k( 125) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0025000 k( 126) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0025000 k( 127) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0025000 k( 146) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0025000 k( 147) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0025000 k( 148) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0025000 k( 149) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0025000 k( 150) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0025000 k( 151) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0025000 k( 152) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0025000 k( 153) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0025000 k( 154) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0025000 k( 155) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0025000 k( 156) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0025000 k( 157) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0025000 k( 158) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0025000 k( 159) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0025000 k( 160) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0025000 k( 161) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0025000 k( 162) = ( 0.0000000 0.0540541 0.0000000), wk = 0.0025000 k( 163) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0025000 k( 164) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0025000 k( 165) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0025000 k( 175) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025000 k( 176) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0025000 k( 177) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0025000 k( 178) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0025000 k( 179) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0025000 k( 180) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0025000 k( 181) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0025000 k( 182) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0025000 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 185) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0025000 k( 186) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0025000 k( 187) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0025000 k( 188) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0025000 k( 189) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0025000 k( 190) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0025000 k( 191) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0025000 k( 192) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0025000 k( 193) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0025000 k( 194) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0025000 k( 195) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0025000 k( 196) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0025000 k( 197) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0025000 k( 198) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0025000 k( 199) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0025000 k( 200) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0025000 k( 201) = ( 0.1931818 -0.0000000 0.5000000), wk = 0.0025000 k( 202) = ( 0.2045454 -0.0000000 0.5000000), wk = 0.0025000 k( 203) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0025000 k( 204) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0025000 k( 205) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0025000 k( 206) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0025000 k( 207) = ( 0.2613636 -0.0000000 0.5000000), wk = 0.0025000 k( 208) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0025000 k( 209) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0025000 k( 210) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0025000 k( 211) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0025000 k( 212) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0025000 k( 213) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0025000 k( 214) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0025000 k( 215) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0025000 k( 216) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0025000 k( 217) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0025000 k( 218) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0025000 k( 219) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0025000 k( 220) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0025000 k( 221) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0025000 k( 222) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0025000 k( 223) = ( 0.4431818 -0.0000000 0.5000000), wk = 0.0025000 k( 224) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0025000 k( 225) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0025000 k( 226) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0025000 k( 227) = ( 0.4886364 -0.0000000 0.5000000), wk = 0.0025000 k( 228) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 229) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 230) = ( 0.5000000 0.0135135 0.5000000), wk = 0.0025000 k( 231) = ( 0.5000000 0.0270270 0.5000000), wk = 0.0025000 k( 232) = ( 0.5000000 0.0405405 0.5000000), wk = 0.0025000 k( 233) = ( 0.5000000 0.0540540 0.5000000), wk = 0.0025000 k( 234) = ( 0.5000000 0.0675676 0.5000000), wk = 0.0025000 k( 235) = ( 0.5000000 0.0810811 0.5000000), wk = 0.0025000 k( 236) = ( 0.5000000 0.0945946 0.5000000), wk = 0.0025000 k( 237) = ( 0.5000000 0.1081081 0.5000000), wk = 0.0025000 k( 238) = ( 0.5000000 0.1216216 0.5000000), wk = 0.0025000 k( 239) = ( 0.5000000 0.1351351 0.5000000), wk = 0.0025000 k( 240) = ( 0.5000000 0.1486486 0.5000000), wk = 0.0025000 k( 241) = ( 0.5000000 0.1621622 0.5000000), wk = 0.0025000 k( 242) = ( 0.5000000 0.1756757 0.5000000), wk = 0.0025000 k( 243) = ( 0.5000000 0.1891892 0.5000000), wk = 0.0025000 k( 244) = ( 0.5000000 0.2027027 0.5000000), wk = 0.0025000 k( 245) = ( 0.5000000 0.2162162 0.5000000), wk = 0.0025000 k( 246) = ( 0.5000000 0.2297297 0.5000000), wk = 0.0025000 k( 247) = ( 0.5000000 0.2432432 0.5000000), wk = 0.0025000 k( 248) = ( 0.5000000 0.2567568 0.5000000), wk = 0.0025000 k( 249) = ( 0.5000000 0.2702703 0.5000000), wk = 0.0025000 k( 250) = ( 0.5000000 0.2837838 0.5000000), wk = 0.0025000 k( 251) = ( 0.5000000 0.2972973 0.5000000), wk = 0.0025000 k( 252) = ( 0.5000000 0.3108108 0.5000000), wk = 0.0025000 k( 253) = ( 0.5000000 0.3243243 0.5000000), wk = 0.0025000 k( 254) = ( 0.5000000 0.3378378 0.5000000), wk = 0.0025000 k( 255) = ( 0.5000000 0.3513514 0.5000000), wk = 0.0025000 k( 256) = ( 0.5000000 0.3648649 0.5000000), wk = 0.0025000 k( 257) = ( 0.5000000 0.3783784 0.5000000), wk = 0.0025000 k( 258) = ( 0.5000000 0.3918919 0.5000000), wk = 0.0025000 k( 259) = ( 0.5000000 0.4054054 0.5000000), wk = 0.0025000 k( 260) = ( 0.5000000 0.4189189 0.5000000), wk = 0.0025000 k( 261) = ( 0.5000000 0.4324324 0.5000000), wk = 0.0025000 k( 262) = ( 0.5000000 0.4459459 0.5000000), wk = 0.0025000 k( 263) = ( 0.5000000 0.4594595 0.5000000), wk = 0.0025000 k( 264) = ( 0.5000000 0.4729730 0.5000000), wk = 0.0025000 k( 265) = ( 0.5000000 0.4864865 0.5000000), wk = 0.0025000 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 268) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0025000 k( 269) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0025000 k( 270) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0025000 k( 271) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0025000 k( 272) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0025000 k( 273) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0025000 k( 274) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0025000 k( 275) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0025000 k( 276) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0025000 k( 277) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0025000 k( 278) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0025000 k( 279) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0025000 k( 280) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0025000 k( 281) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0025000 k( 282) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0025000 k( 283) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0025000 k( 284) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0025000 k( 285) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0025000 k( 286) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0025000 k( 287) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0025000 k( 288) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0025000 k( 289) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025000 k( 290) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0025000 k( 291) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0025000 k( 292) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0025000 k( 293) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0025000 k( 294) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0025000 k( 295) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0025000 k( 296) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0025000 k( 297) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0025000 k( 298) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0025000 k( 299) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0025000 k( 300) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0025000 k( 301) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0025000 k( 302) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0025000 k( 303) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0025000 k( 304) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0025000 k( 305) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0025000 k( 306) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0025000 k( 307) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0025000 k( 308) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0025000 k( 309) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0025000 k( 310) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0025000 k( 311) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 312) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 313) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0025000 k( 314) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0025000 k( 315) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0025000 k( 316) = ( 0.0000000 0.4459459 0.5000000), wk = 0.0025000 k( 317) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0025000 k( 318) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0025000 k( 319) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0025000 k( 320) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0025000 k( 321) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0025000 k( 322) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0025000 k( 323) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0025000 k( 324) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0025000 k( 325) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0025000 k( 326) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0025000 k( 327) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0025000 k( 328) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0025000 k( 329) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0025000 k( 330) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0025000 k( 331) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0025000 k( 332) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0025000 k( 333) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0025000 k( 334) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0025000 k( 335) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0025000 k( 336) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0025000 k( 337) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0025000 k( 338) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0025000 k( 339) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0025000 k( 340) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0025000 k( 341) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0025000 k( 342) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0025000 k( 343) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0025000 k( 344) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0025000 k( 345) = ( 0.0000000 0.0540541 0.5000000), wk = 0.0025000 k( 346) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0025000 k( 347) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0025000 k( 348) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0025000 k( 349) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 350) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025000 k( 351) = ( 0.0000000 0.5000000 0.0312500), wk = 0.0025000 k( 352) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0025000 k( 353) = ( 0.0000000 0.5000000 0.0937500), wk = 0.0025000 k( 354) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0025000 k( 355) = ( 0.0000000 0.5000000 0.1562500), wk = 0.0025000 k( 356) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0025000 k( 357) = ( 0.0000000 0.5000000 0.2187500), wk = 0.0025000 k( 358) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025000 k( 359) = ( 0.0000000 0.5000000 0.2812500), wk = 0.0025000 k( 360) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0025000 k( 361) = ( 0.0000000 0.5000000 0.3437500), wk = 0.0025000 k( 362) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0025000 k( 363) = ( 0.0000000 0.5000000 0.4062500), wk = 0.0025000 k( 364) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0025000 k( 365) = ( 0.0000000 0.5000000 0.4687500), wk = 0.0025000 k( 366) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 367) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 368) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0025000 k( 369) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0025000 k( 370) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0025000 k( 371) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0025000 k( 372) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0025000 k( 373) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0025000 k( 374) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0025000 k( 375) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0025000 k( 376) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0025000 k( 377) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0025000 k( 378) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0025000 k( 379) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0025000 k( 380) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0025000 k( 381) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0025000 k( 382) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0025000 k( 383) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025000 k( 384) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 385) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0025000 k( 386) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0025000 k( 387) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0025000 k( 388) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0025000 k( 389) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0025000 k( 390) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0025000 k( 391) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0025000 k( 392) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025000 k( 393) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0025000 k( 394) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0025000 k( 395) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0025000 k( 396) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0025000 k( 397) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0025000 k( 398) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0025000 k( 399) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0025000 k( 400) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 Dense grid: 45595 G-vectors FFT dimensions: ( 30, 36, 90) Smooth grid: 37513 G-vectors FFT dimensions: ( 27, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 296, 48) NL pseudopotentials 0.43 Mb ( 148, 192) Each V/rho on FFT grid 0.05 Mb ( 3240) Each G-vector array 0.01 Mb ( 1264) G-vector shells 0.00 Mb ( 643) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.87 Mb ( 296, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.28 Mb ( 192, 2, 48) The potential is recalculated from file : ./GeS.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.2 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.2 secs Computing kpt #: 12 total cpu time spent up to now is 8.7 secs Computing kpt #: 13 total cpu time spent up to now is 9.1 secs Computing kpt #: 14 total cpu time spent up to now is 9.6 secs Computing kpt #: 15 total cpu time spent up to now is 10.1 secs Computing kpt #: 16 total cpu time spent up to now is 10.5 secs Computing kpt #: 17 total cpu time spent up to now is 11.0 secs Computing kpt #: 18 total cpu time spent up to now is 11.5 secs Computing kpt #: 19 total cpu time spent up to now is 12.1 secs Computing kpt #: 20 total cpu time spent up to now is 12.6 secs Computing kpt #: 21 total cpu time spent up to now is 13.0 secs Computing kpt #: 22 total cpu time spent up to now is 13.4 secs Computing kpt #: 23 total cpu time spent up to now is 13.8 secs Computing kpt #: 24 total cpu time spent up to now is 14.2 secs Computing kpt #: 25 total cpu time spent up to now is 14.7 secs Computing kpt #: 26 total cpu time spent up to now is 15.1 secs Computing kpt #: 27 total cpu time spent up to now is 15.5 secs Computing kpt #: 28 total cpu time spent up to now is 15.9 secs Computing kpt #: 29 total cpu time spent up to now is 16.3 secs Computing kpt #: 30 total cpu time spent up to now is 16.7 secs Computing kpt #: 31 total cpu time spent up to now is 17.1 secs Computing kpt #: 32 total cpu time spent up to now is 17.6 secs Computing kpt #: 33 total cpu time spent up to now is 18.0 secs Computing kpt #: 34 total cpu time spent up to now is 18.4 secs Computing kpt #: 35 total cpu time spent up to now is 18.9 secs Computing kpt #: 36 total cpu time spent up to now is 19.4 secs Computing kpt #: 37 total cpu time spent up to now is 20.0 secs Computing kpt #: 38 total cpu time spent up to now is 20.5 secs Computing kpt #: 39 total cpu time spent up to now is 21.0 secs Computing kpt #: 40 total cpu time spent up to now is 21.6 secs Computing kpt #: 41 total cpu time spent up to now is 22.1 secs Computing kpt #: 42 total cpu time spent up to now is 22.7 secs Computing kpt #: 43 total cpu time spent up to now is 23.2 secs Computing kpt #: 44 total cpu time spent up to now is 23.8 secs Computing kpt #: 45 total cpu time spent up to now is 24.3 secs Computing kpt #: 46 total cpu time spent up to now is 24.9 secs Computing kpt #: 47 total cpu time spent up to now is 25.5 secs Computing kpt #: 48 total cpu time spent up to now is 26.0 secs Computing kpt #: 49 total cpu time spent up to now is 26.5 secs Computing kpt #: 50 total cpu time spent up to now is 27.1 secs Computing kpt #: 51 total cpu time spent up to now is 27.6 secs Computing kpt #: 52 total cpu time spent up to now is 28.2 secs Computing kpt #: 53 total cpu time spent up to now is 28.7 secs Computing kpt #: 54 total cpu time spent up to now is 29.3 secs Computing kpt #: 55 total cpu time spent up to now is 29.8 secs Computing kpt #: 56 total cpu time spent up to now is 30.4 secs Computing kpt #: 57 total cpu time spent up to now is 31.0 secs Computing kpt #: 58 total cpu time spent up to now is 31.6 secs Computing kpt #: 59 total cpu time spent up to now is 32.2 secs Computing kpt #: 60 total cpu time spent up to now is 32.9 secs Computing kpt #: 61 total cpu time spent up to now is 33.5 secs Computing kpt #: 62 total cpu time spent up to now is 34.0 secs Computing kpt #: 63 total cpu time spent up to now is 34.6 secs Computing kpt #: 64 total cpu time spent up to now is 35.1 secs Computing kpt #: 65 total cpu time spent up to now is 35.7 secs Computing kpt #: 66 total cpu time spent up to now is 36.2 secs Computing kpt #: 67 total cpu time spent up to now is 36.7 secs Computing kpt #: 68 total cpu time spent up to now is 37.1 secs Computing kpt #: 69 total cpu time spent up to now is 37.5 secs Computing kpt #: 70 total cpu time spent up to now is 37.9 secs Computing kpt #: 71 total cpu time spent up to now is 38.4 secs Computing kpt #: 72 total cpu time spent up to now is 38.8 secs Computing kpt #: 73 total cpu time spent up to now is 39.2 secs Computing kpt #: 74 total cpu time spent up to now is 39.6 secs Computing kpt #: 75 total cpu time spent up to now is 40.0 secs Computing kpt #: 76 total cpu time spent up to now is 40.4 secs Computing kpt #: 77 total cpu time spent up to now is 40.8 secs Computing kpt #: 78 total cpu time spent up to now is 41.2 secs Computing kpt #: 79 total cpu time spent up to now is 41.6 secs Computing kpt #: 80 total cpu time spent up to now is 42.0 secs Computing kpt #: 81 total cpu time spent up to now is 42.4 secs Computing kpt #: 82 total cpu time spent up to now is 42.8 secs Computing kpt #: 83 total cpu time spent up to now is 43.2 secs Computing kpt #: 84 total cpu time spent up to now is 43.5 secs Computing kpt #: 85 total cpu time spent up to now is 43.9 secs Computing kpt #: 86 total cpu time spent up to now is 44.3 secs Computing kpt #: 87 total cpu time spent up to now is 44.7 secs Computing kpt #: 88 total cpu time spent up to now is 45.1 secs Computing kpt #: 89 total cpu time spent up to now is 45.5 secs Computing kpt #: 90 total cpu time spent up to now is 46.0 secs Computing kpt #: 91 total cpu time spent up to now is 46.4 secs Computing kpt #: 92 total cpu time spent up to now is 46.8 secs Computing kpt #: 93 total cpu time spent up to now is 47.2 secs Computing kpt #: 94 total cpu time spent up to now is 47.7 secs Computing kpt #: 95 total cpu time spent up to now is 48.1 secs Computing kpt #: 96 total cpu time spent up to now is 48.6 secs Computing kpt #: 97 total cpu time spent up to now is 49.1 secs Computing kpt #: 98 total cpu time spent up to now is 49.5 secs Computing kpt #: 99 total cpu time spent up to now is 50.0 secs Computing kpt #: 100 total cpu time spent up to now is 50.5 secs Computing kpt #: 101 total cpu time spent up to now is 51.1 secs Computing kpt #: 102 total cpu time spent up to now is 51.6 secs Computing kpt #: 103 total cpu time spent up to now is 52.1 secs Computing kpt #: 104 total cpu time spent up to now is 52.5 secs Computing kpt #: 105 total cpu time spent up to now is 52.9 secs Computing kpt #: 106 total cpu time spent up to now is 53.4 secs Computing kpt #: 107 total cpu time spent up to now is 53.8 secs Computing kpt #: 108 total cpu time spent up to now is 54.2 secs Computing kpt #: 109 total cpu time spent up to now is 54.6 secs Computing kpt #: 110 total cpu time spent up to now is 55.0 secs Computing kpt #: 111 total cpu time spent up to now is 55.4 secs Computing kpt #: 112 total cpu time spent up to now is 55.9 secs Computing kpt #: 113 total cpu time spent up to now is 56.3 secs Computing kpt #: 114 total cpu time spent up to now is 56.7 secs Computing kpt #: 115 total cpu time spent up to now is 57.1 secs Computing kpt #: 116 total cpu time spent up to now is 57.6 secs Computing kpt #: 117 total cpu time spent up to now is 58.0 secs Computing kpt #: 118 total cpu time spent up to now is 58.5 secs Computing kpt #: 119 total cpu time spent up to now is 58.9 secs Computing kpt #: 120 total cpu time spent up to now is 59.4 secs Computing kpt #: 121 total cpu time spent up to now is 59.8 secs Computing kpt #: 122 total cpu time spent up to now is 60.3 secs Computing kpt #: 123 total cpu time spent up to now is 60.7 secs Computing kpt #: 124 total cpu time spent up to now is 61.2 secs Computing kpt #: 125 total cpu time spent up to now is 61.6 secs Computing kpt #: 126 total cpu time spent up to now is 62.1 secs Computing kpt #: 127 total cpu time spent up to now is 62.5 secs Computing kpt #: 128 total cpu time spent up to now is 63.0 secs Computing kpt #: 129 total cpu time spent up to now is 63.4 secs Computing kpt #: 130 total cpu time spent up to now is 63.9 secs Computing kpt #: 131 total cpu time spent up to now is 64.3 secs Computing kpt #: 132 total cpu time spent up to now is 64.8 secs Computing kpt #: 133 total cpu time spent up to now is 65.3 secs Computing kpt #: 134 total cpu time spent up to now is 65.7 secs Computing kpt #: 135 total cpu time spent up to now is 66.2 secs Computing kpt #: 136 total cpu time spent up to now is 66.6 secs Computing kpt #: 137 total cpu time spent up to now is 67.1 secs Computing kpt #: 138 total cpu time spent up to now is 67.5 secs Computing kpt #: 139 total cpu time spent up to now is 68.0 secs Computing kpt #: 140 total cpu time spent up to now is 68.4 secs Computing kpt #: 141 total cpu time spent up to now is 68.9 secs Computing kpt #: 142 total cpu time spent up to now is 69.4 secs Computing kpt #: 143 total cpu time spent up to now is 69.8 secs Computing kpt #: 144 total cpu time spent up to now is 70.3 secs Computing kpt #: 145 total cpu time spent up to now is 70.7 secs Computing kpt #: 146 total cpu time spent up to now is 71.2 secs Computing kpt #: 147 total cpu time spent up to now is 71.6 secs Computing kpt #: 148 total cpu time spent up to now is 72.1 secs Computing kpt #: 149 total cpu time spent up to now is 72.5 secs Computing kpt #: 150 total cpu time spent up to now is 73.0 secs Computing kpt #: 151 total cpu time spent up to now is 73.4 secs Computing kpt #: 152 total cpu time spent up to now is 73.9 secs Computing kpt #: 153 total cpu time spent up to now is 74.4 secs Computing kpt #: 154 total cpu time spent up to now is 74.9 secs Computing kpt #: 155 total cpu time spent up to now is 75.3 secs Computing kpt #: 156 total cpu time spent up to now is 75.8 secs Computing kpt #: 157 total cpu time spent up to now is 76.3 secs Computing kpt #: 158 total cpu time spent up to now is 76.8 secs Computing kpt #: 159 total cpu time spent up to now is 77.2 secs Computing kpt #: 160 total cpu time spent up to now is 77.7 secs Computing kpt #: 161 total cpu time spent up to now is 78.2 secs Computing kpt #: 162 total cpu time spent up to now is 78.6 secs Computing kpt #: 163 total cpu time spent up to now is 79.1 secs Computing kpt #: 164 total cpu time spent up to now is 79.6 secs Computing kpt #: 165 total cpu time spent up to now is 80.1 secs Computing kpt #: 166 total cpu time spent up to now is 80.5 secs Computing kpt #: 167 total cpu time spent up to now is 81.0 secs Computing kpt #: 168 total cpu time spent up to now is 81.5 secs Computing kpt #: 169 total cpu time spent up to now is 82.0 secs Computing kpt #: 170 total cpu time spent up to now is 82.4 secs Computing kpt #: 171 total cpu time spent up to now is 82.9 secs Computing kpt #: 172 total cpu time spent up to now is 83.4 secs Computing kpt #: 173 total cpu time spent up to now is 83.9 secs Computing kpt #: 174 total cpu time spent up to now is 84.4 secs Computing kpt #: 175 total cpu time spent up to now is 84.9 secs Computing kpt #: 176 total cpu time spent up to now is 85.4 secs Computing kpt #: 177 total cpu time spent up to now is 86.0 secs Computing kpt #: 178 total cpu time spent up to now is 86.5 secs Computing kpt #: 179 total cpu time spent up to now is 87.0 secs Computing kpt #: 180 total cpu time spent up to now is 87.6 secs Computing kpt #: 181 total cpu time spent up to now is 88.1 secs Computing kpt #: 182 total cpu time spent up to now is 88.5 secs Computing kpt #: 183 total cpu time spent up to now is 89.0 secs Computing kpt #: 184 total cpu time spent up to now is 89.5 secs Computing kpt #: 185 total cpu time spent up to now is 90.0 secs Computing kpt #: 186 total cpu time spent up to now is 90.5 secs Computing kpt #: 187 total cpu time spent up to now is 90.9 secs Computing kpt #: 188 total cpu time spent up to now is 91.4 secs Computing kpt #: 189 total cpu time spent up to now is 91.8 secs Computing kpt #: 190 total cpu time spent up to now is 92.3 secs Computing kpt #: 191 total cpu time spent up to now is 92.8 secs Computing kpt #: 192 total cpu time spent up to now is 93.2 secs Computing kpt #: 193 total cpu time spent up to now is 93.6 secs Computing kpt #: 194 total cpu time spent up to now is 94.1 secs Computing kpt #: 195 total cpu time spent up to now is 94.5 secs Computing kpt #: 196 total cpu time spent up to now is 95.0 secs Computing kpt #: 197 total cpu time spent up to now is 95.4 secs Computing kpt #: 198 total cpu time spent up to now is 95.8 secs Computing kpt #: 199 total cpu time spent up to now is 96.3 secs Computing kpt #: 200 total cpu time spent up to now is 96.7 secs Computing kpt #: 201 total cpu time spent up to now is 97.2 secs Computing kpt #: 202 total cpu time spent up to now is 97.7 secs Computing kpt #: 203 total cpu time spent up to now is 98.1 secs Computing kpt #: 204 total cpu time spent up to now is 98.6 secs Computing kpt #: 205 total cpu time spent up to now is 99.1 secs Computing kpt #: 206 total cpu time spent up to now is 99.5 secs Computing kpt #: 207 total cpu time spent up to now is 99.9 secs Computing kpt #: 208 total cpu time spent up to now is 100.4 secs Computing kpt #: 209 total cpu time spent up to now is 100.8 secs Computing kpt #: 210 total cpu time spent up to now is 101.3 secs Computing kpt #: 211 total cpu time spent up to now is 101.8 secs Computing kpt #: 212 total cpu time spent up to now is 102.2 secs Computing kpt #: 213 total cpu time spent up to now is 102.7 secs Computing kpt #: 214 total cpu time spent up to now is 103.2 secs Computing kpt #: 215 total cpu time spent up to now is 103.7 secs Computing kpt #: 216 total cpu time spent up to now is 104.1 secs Computing kpt #: 217 total cpu time spent up to now is 104.6 secs Computing kpt #: 218 total cpu time spent up to now is 105.1 secs Computing kpt #: 219 total cpu time spent up to now is 105.6 secs Computing kpt #: 220 total cpu time spent up to now is 106.0 secs Computing kpt #: 221 total cpu time spent up to now is 106.5 secs Computing kpt #: 222 total cpu time spent up to now is 107.0 secs Computing kpt #: 223 total cpu time spent up to now is 107.4 secs Computing kpt #: 224 total cpu time spent up to now is 107.9 secs Computing kpt #: 225 total cpu time spent up to now is 108.3 secs Computing kpt #: 226 total cpu time spent up to now is 108.7 secs Computing kpt #: 227 total cpu time spent up to now is 109.2 secs Computing kpt #: 228 total cpu time spent up to now is 109.6 secs Computing kpt #: 229 total cpu time spent up to now is 110.0 secs Computing kpt #: 230 total cpu time spent up to now is 110.5 secs Computing kpt #: 231 total cpu time spent up to now is 110.9 secs Computing kpt #: 232 total cpu time spent up to now is 111.3 secs Computing kpt #: 233 total cpu time spent up to now is 111.8 secs Computing kpt #: 234 total cpu time spent up to now is 112.2 secs Computing kpt #: 235 total cpu time spent up to now is 112.6 secs Computing kpt #: 236 total cpu time spent up to now is 113.1 secs Computing kpt #: 237 total cpu time spent up to now is 113.5 secs Computing kpt #: 238 total cpu time spent up to now is 114.0 secs Computing kpt #: 239 total cpu time spent up to now is 114.4 secs Computing kpt #: 240 total cpu time spent up to now is 114.8 secs Computing kpt #: 241 total cpu time spent up to now is 115.3 secs Computing kpt #: 242 total cpu time spent up to now is 115.7 secs Computing kpt #: 243 total cpu time spent up to now is 116.1 secs Computing kpt #: 244 total cpu time spent up to now is 116.5 secs Computing kpt #: 245 total cpu time spent up to now is 116.9 secs Computing kpt #: 246 total cpu time spent up to now is 117.3 secs Computing kpt #: 247 total cpu time spent up to now is 117.7 secs Computing kpt #: 248 total cpu time spent up to now is 118.1 secs Computing kpt #: 249 total cpu time spent up to now is 118.5 secs Computing kpt #: 250 total cpu time spent up to now is 118.9 secs Computing kpt #: 251 total cpu time spent up to now is 119.3 secs Computing kpt #: 252 total cpu time spent up to now is 119.7 secs Computing kpt #: 253 total cpu time spent up to now is 120.1 secs Computing kpt #: 254 total cpu time spent up to now is 120.4 secs Computing kpt #: 255 total cpu time spent up to now is 120.8 secs Computing kpt #: 256 total cpu time spent up to now is 121.2 secs Computing kpt #: 257 total cpu time spent up to now is 121.6 secs Computing kpt #: 258 total cpu time spent up to now is 121.9 secs Computing kpt #: 259 total cpu time spent up to now is 122.3 secs Computing kpt #: 260 total cpu time spent up to now is 122.7 secs Computing kpt #: 261 total cpu time spent up to now is 123.1 secs Computing kpt #: 262 total cpu time spent up to now is 123.5 secs Computing kpt #: 263 total cpu time spent up to now is 123.8 secs Computing kpt #: 264 total cpu time spent up to now is 124.2 secs Computing kpt #: 265 total cpu time spent up to now is 124.6 secs Computing kpt #: 266 total cpu time spent up to now is 124.9 secs Computing kpt #: 267 total cpu time spent up to now is 125.3 secs Computing kpt #: 268 total cpu time spent up to now is 125.7 secs Computing kpt #: 269 total cpu time spent up to now is 126.1 secs Computing kpt #: 270 total cpu time spent up to now is 126.4 secs Computing kpt #: 271 total cpu time spent up to now is 126.8 secs Computing kpt #: 272 total cpu time spent up to now is 127.2 secs Computing kpt #: 273 total cpu time spent up to now is 127.6 secs Computing kpt #: 274 total cpu time spent up to now is 127.9 secs Computing kpt #: 275 total cpu time spent up to now is 128.3 secs Computing kpt #: 276 total cpu time spent up to now is 128.7 secs Computing kpt #: 277 total cpu time spent up to now is 129.1 secs Computing kpt #: 278 total cpu time spent up to now is 129.5 secs Computing kpt #: 279 total cpu time spent up to now is 129.9 secs Computing kpt #: 280 total cpu time spent up to now is 130.3 secs Computing kpt #: 281 total cpu time spent up to now is 130.7 secs Computing kpt #: 282 total cpu time spent up to now is 131.1 secs Computing kpt #: 283 total cpu time spent up to now is 131.6 secs Computing kpt #: 284 total cpu time spent up to now is 132.0 secs Computing kpt #: 285 total cpu time spent up to now is 132.6 secs Computing kpt #: 286 total cpu time spent up to now is 133.2 secs Computing kpt #: 287 total cpu time spent up to now is 133.7 secs Computing kpt #: 288 total cpu time spent up to now is 134.3 secs Computing kpt #: 289 total cpu time spent up to now is 134.7 secs Computing kpt #: 290 total cpu time spent up to now is 135.2 secs Computing kpt #: 291 total cpu time spent up to now is 135.6 secs Computing kpt #: 292 total cpu time spent up to now is 136.1 secs Computing kpt #: 293 total cpu time spent up to now is 136.5 secs Computing kpt #: 294 total cpu time spent up to now is 136.9 secs Computing kpt #: 295 total cpu time spent up to now is 137.3 secs Computing kpt #: 296 total cpu time spent up to now is 137.8 secs Computing kpt #: 297 total cpu time spent up to now is 138.2 secs Computing kpt #: 298 total cpu time spent up to now is 138.7 secs Computing kpt #: 299 total cpu time spent up to now is 139.2 secs Computing kpt #: 300 total cpu time spent up to now is 139.7 secs Computing kpt #: 301 total cpu time spent up to now is 140.3 secs Computing kpt #: 302 total cpu time spent up to now is 140.9 secs Computing kpt #: 303 total cpu time spent up to now is 141.3 secs Computing kpt #: 304 total cpu time spent up to now is 141.8 secs Computing kpt #: 305 total cpu time spent up to now is 142.2 secs Computing kpt #: 306 total cpu time spent up to now is 142.7 secs Computing kpt #: 307 total cpu time spent up to now is 143.1 secs Computing kpt #: 308 total cpu time spent up to now is 143.6 secs Computing kpt #: 309 total cpu time spent up to now is 144.0 secs Computing kpt #: 310 total cpu time spent up to now is 144.5 secs Computing kpt #: 311 total cpu time spent up to now is 145.0 secs Computing kpt #: 312 total cpu time spent up to now is 145.4 secs Computing kpt #: 313 total cpu time spent up to now is 145.9 secs Computing kpt #: 314 total cpu time spent up to now is 146.4 secs Computing kpt #: 315 total cpu time spent up to now is 146.8 secs Computing kpt #: 316 total cpu time spent up to now is 147.2 secs Computing kpt #: 317 total cpu time spent up to now is 147.7 secs Computing kpt #: 318 total cpu time spent up to now is 148.1 secs Computing kpt #: 319 total cpu time spent up to now is 148.7 secs Computing kpt #: 320 total cpu time spent up to now is 149.2 secs Computing kpt #: 321 total cpu time spent up to now is 149.7 secs Computing kpt #: 322 total cpu time spent up to now is 150.1 secs Computing kpt #: 323 total cpu time spent up to now is 150.7 secs Computing kpt #: 324 total cpu time spent up to now is 151.3 secs Computing kpt #: 325 total cpu time spent up to now is 151.8 secs Computing kpt #: 326 total cpu time spent up to now is 152.3 secs Computing kpt #: 327 total cpu time spent up to now is 152.8 secs Computing kpt #: 328 total cpu time spent up to now is 153.3 secs Computing kpt #: 329 total cpu time spent up to now is 153.8 secs Computing kpt #: 330 total cpu time spent up to now is 154.4 secs Computing kpt #: 331 total cpu time spent up to now is 154.9 secs Computing kpt #: 332 total cpu time spent up to now is 155.3 secs Computing kpt #: 333 total cpu time spent up to now is 155.8 secs Computing kpt #: 334 total cpu time spent up to now is 156.3 secs Computing kpt #: 335 total cpu time spent up to now is 156.7 secs Computing kpt #: 336 total cpu time spent up to now is 157.2 secs Computing kpt #: 337 total cpu time spent up to now is 157.6 secs Computing kpt #: 338 total cpu time spent up to now is 158.1 secs Computing kpt #: 339 total cpu time spent up to now is 158.6 secs Computing kpt #: 340 total cpu time spent up to now is 159.1 secs Computing kpt #: 341 total cpu time spent up to now is 159.5 secs Computing kpt #: 342 total cpu time spent up to now is 160.0 secs Computing kpt #: 343 total cpu time spent up to now is 160.5 secs Computing kpt #: 344 total cpu time spent up to now is 161.0 secs Computing kpt #: 345 total cpu time spent up to now is 161.5 secs Computing kpt #: 346 total cpu time spent up to now is 161.9 secs Computing kpt #: 347 total cpu time spent up to now is 162.4 secs Computing kpt #: 348 total cpu time spent up to now is 162.9 secs Computing kpt #: 349 total cpu time spent up to now is 163.4 secs Computing kpt #: 350 total cpu time spent up to now is 163.8 secs Computing kpt #: 351 total cpu time spent up to now is 164.3 secs Computing kpt #: 352 total cpu time spent up to now is 164.7 secs Computing kpt #: 353 total cpu time spent up to now is 165.2 secs Computing kpt #: 354 total cpu time spent up to now is 165.6 secs Computing kpt #: 355 total cpu time spent up to now is 166.1 secs Computing kpt #: 356 total cpu time spent up to now is 166.5 secs Computing kpt #: 357 total cpu time spent up to now is 167.0 secs Computing kpt #: 358 total cpu time spent up to now is 167.4 secs Computing kpt #: 359 total cpu time spent up to now is 167.9 secs Computing kpt #: 360 total cpu time spent up to now is 168.5 secs Computing kpt #: 361 total cpu time spent up to now is 169.0 secs Computing kpt #: 362 total cpu time spent up to now is 169.5 secs Computing kpt #: 363 total cpu time spent up to now is 170.0 secs Computing kpt #: 364 total cpu time spent up to now is 170.4 secs Computing kpt #: 365 total cpu time spent up to now is 170.9 secs Computing kpt #: 366 total cpu time spent up to now is 171.3 secs Computing kpt #: 367 total cpu time spent up to now is 171.8 secs Computing kpt #: 368 total cpu time spent up to now is 172.2 secs Computing kpt #: 369 total cpu time spent up to now is 172.6 secs Computing kpt #: 370 total cpu time spent up to now is 173.1 secs Computing kpt #: 371 total cpu time spent up to now is 173.5 secs Computing kpt #: 372 total cpu time spent up to now is 174.0 secs Computing kpt #: 373 total cpu time spent up to now is 174.4 secs Computing kpt #: 374 total cpu time spent up to now is 174.9 secs Computing kpt #: 375 total cpu time spent up to now is 175.4 secs Computing kpt #: 376 total cpu time spent up to now is 175.8 secs Computing kpt #: 377 total cpu time spent up to now is 176.3 secs Computing kpt #: 378 total cpu time spent up to now is 176.7 secs Computing kpt #: 379 total cpu time spent up to now is 177.2 secs Computing kpt #: 380 total cpu time spent up to now is 177.6 secs Computing kpt #: 381 total cpu time spent up to now is 178.1 secs Computing kpt #: 382 total cpu time spent up to now is 178.6 secs Computing kpt #: 383 total cpu time spent up to now is 179.2 secs Computing kpt #: 384 total cpu time spent up to now is 179.6 secs Computing kpt #: 385 total cpu time spent up to now is 179.9 secs Computing kpt #: 386 total cpu time spent up to now is 180.3 secs Computing kpt #: 387 total cpu time spent up to now is 180.7 secs Computing kpt #: 388 total cpu time spent up to now is 181.1 secs Computing kpt #: 389 total cpu time spent up to now is 181.5 secs Computing kpt #: 390 total cpu time spent up to now is 181.9 secs Computing kpt #: 391 total cpu time spent up to now is 182.3 secs Computing kpt #: 392 total cpu time spent up to now is 182.6 secs Computing kpt #: 393 total cpu time spent up to now is 183.0 secs Computing kpt #: 394 total cpu time spent up to now is 183.4 secs Computing kpt #: 395 total cpu time spent up to now is 183.8 secs Computing kpt #: 396 total cpu time spent up to now is 184.2 secs Computing kpt #: 397 total cpu time spent up to now is 184.5 secs Computing kpt #: 398 total cpu time spent up to now is 184.9 secs Computing kpt #: 399 total cpu time spent up to now is 185.3 secs Computing kpt #: 400 total cpu time spent up to now is 185.7 secs ethr = 2.50E-08, avg # of iterations = 17.8 total cpu time spent up to now is 185.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4679 PWs) bands (ev): -9.6849 -9.6849 -9.3030 -9.3030 -7.9800 -7.9800 -7.2561 -7.2561 -0.9953 -0.9953 -0.8279 -0.8279 -0.4979 -0.4979 0.4232 0.4232 0.9294 0.9294 1.2576 1.2576 1.7924 1.7924 2.2417 2.2417 2.2940 2.2940 2.8023 2.8023 3.2240 3.2240 3.7985 3.7985 4.3387 4.3387 4.3840 4.3840 4.8881 4.8881 6.5129 6.5129 6.9026 6.9026 7.3323 7.3323 7.7391 7.7391 8.5815 8.5815 k = 0.0114-0.0000-0.0000 ( 4683 PWs) bands (ev): -9.6837 -9.6837 -9.3018 -9.3018 -7.9791 -7.9791 -7.2554 -7.2554 -1.0005 -1.0005 -0.8340 -0.8340 -0.4966 -0.4966 0.4178 0.4178 0.9289 0.9289 1.2581 1.2581 1.7930 1.7930 2.2243 2.2243 2.2937 2.2937 2.8108 2.8108 3.2263 3.2263 3.8033 3.8033 4.3398 4.3398 4.3858 4.3858 4.8914 4.8914 6.5187 6.5187 6.9062 6.9062 7.3331 7.3331 7.7466 7.7466 8.5881 8.5881 k = 0.0227-0.0000-0.0000 ( 4685 PWs) bands (ev): -9.6802 -9.6802 -9.2984 -9.2984 -7.9763 -7.9763 -7.2534 -7.2534 -1.0163 -1.0163 -0.8520 -0.8520 -0.4930 -0.4930 0.4015 0.4015 0.9275 0.9275 1.2594 1.2594 1.7949 1.7949 2.1754 2.1754 2.2929 2.2929 2.8333 2.8333 3.2333 3.2333 3.8174 3.8174 4.3428 4.3428 4.3912 4.3912 4.9012 4.9012 6.5360 6.5360 6.9170 6.9170 7.3354 7.3354 7.7689 7.7689 8.6077 8.6077 k = 0.0341-0.0000-0.0000 ( 4687 PWs) bands (ev): -9.6742 -9.6742 -9.2926 -9.2926 -7.9717 -7.9717 -7.2500 -7.2500 -1.0424 -1.0424 -0.8818 -0.8818 -0.4870 -0.4870 0.3745 0.3745 0.9255 0.9255 1.2616 1.2616 1.7980 1.7980 2.1022 2.1022 2.2919 2.2919 2.8633 2.8633 3.2447 3.2447 3.8403 3.8403 4.3468 4.3468 4.4001 4.4001 4.9179 4.9179 6.5642 6.5642 6.9351 6.9351 7.3395 7.3395 7.8057 7.8057 8.6400 8.6400 k = 0.0455-0.0000-0.0000 ( 4689 PWs) bands (ev): -9.6659 -9.6659 -9.2846 -9.2846 -7.9652 -7.9652 -7.2454 -7.2454 -1.0785 -1.0785 -0.9229 -0.9229 -0.4785 -0.4785 0.3369 0.3369 0.9233 0.9233 1.2650 1.2650 1.8024 1.8024 2.0112 2.0112 2.2909 2.2909 2.8955 2.8955 3.2601 3.2601 3.8711 3.8711 4.3505 4.3505 4.4121 4.4121 4.9418 4.9418 6.6027 6.6027 6.9610 6.9610 7.3456 7.3456 7.8561 7.8561 8.6844 8.6844 k = 0.0568-0.0000-0.0000 ( 4689 PWs) bands (ev): -9.6552 -9.6552 -9.2742 -9.2742 -7.9569 -7.9569 -7.2395 -7.2395 -1.1243 -1.1243 -0.9746 -0.9746 -0.4676 -0.4676 0.2890 0.2890 0.9213 0.9213 1.2696 1.2696 1.8081 1.8081 1.9075 1.9075 2.2904 2.2904 2.9265 2.9265 3.2792 3.2792 3.9085 3.9085 4.3525 4.3525 4.4271 4.4271 4.9729 4.9729 6.6503 6.6503 6.9948 6.9948 7.3543 7.3543 7.9194 7.9194 8.7402 8.7402 k = 0.0682-0.0000-0.0000 ( 4689 PWs) bands (ev): -9.6421 -9.6421 -9.2616 -9.2616 -7.9468 -7.9468 -7.2323 -7.2323 -1.1793 -1.1793 -1.0364 -1.0364 -0.4543 -0.4543 0.2312 0.2312 0.9203 0.9203 1.2757 1.2757 1.7907 1.7907 1.8187 1.8187 2.2907 2.2907 2.9549 2.9549 3.3015 3.3015 3.9513 3.9513 4.3513 4.3513 4.4448 4.4448 5.0110 5.0110 6.7052 6.7052 7.0369 7.0369 7.3662 7.3662 7.9942 7.9942 8.8062 8.8062 k = 0.0795-0.0000-0.0000 ( 4694 PWs) bands (ev): -9.6267 -9.6267 -9.2466 -9.2466 -7.9349 -7.9349 -7.2240 -7.2240 -1.2428 -1.2428 -1.1073 -1.1073 -0.4387 -0.4387 0.1638 0.1638 0.9206 0.9206 1.2834 1.2834 1.6712 1.6712 1.8259 1.8259 2.2923 2.2923 2.9801 2.9801 3.3265 3.3265 3.9982 3.9982 4.3462 4.3462 4.4649 4.4649 5.0553 5.0553 6.7653 6.7653 7.0876 7.0876 7.3826 7.3826 8.0789 8.0789 8.8810 8.8810 k = 0.0909-0.0000-0.0000 ( 4694 PWs) bands (ev): -9.6090 -9.6090 -9.2295 -9.2295 -7.9213 -7.9213 -7.2146 -7.2146 -1.3142 -1.3142 -1.1865 -1.1865 -0.4206 -0.4206 0.0876 0.0876 0.9227 0.9227 1.2928 1.2928 1.5439 1.5439 1.8367 1.8367 2.2955 2.2955 3.0021 3.0021 3.3537 3.3537 4.0480 4.0480 4.3363 4.3363 4.4872 4.4872 5.1046 5.1046 6.8275 6.8275 7.1473 7.1473 7.4050 7.4050 8.1716 8.1716 8.9626 8.9626 k = 0.1023-0.0000-0.0000 ( 4694 PWs) bands (ev): -9.5889 -9.5889 -9.2100 -9.2100 -7.9060 -7.9060 -7.2042 -7.2042 -1.3927 -1.3927 -1.2732 -1.2732 -0.4003 -0.4003 0.0032 0.0032 0.9270 0.9270 1.3041 1.3041 1.4118 1.4118 1.8495 1.8495 2.3006 2.3006 3.0213 3.0213 3.3826 3.3826 4.0997 4.0997 4.3216 4.3216 4.5114 4.5114 5.1576 5.1576 6.8881 6.8881 7.2160 7.2160 7.4355 7.4355 8.2699 8.2699 9.0484 9.0484 k = 0.1136-0.0000-0.0000 ( 4696 PWs) bands (ev): -9.5664 -9.5664 -9.1883 -9.1883 -7.8891 -7.8891 -7.1928 -7.1928 -1.4773 -1.4773 -1.3664 -1.3664 -0.3776 -0.3776 -0.0888 -0.0888 0.9338 0.9338 1.2754 1.2754 1.3176 1.3176 1.8641 1.8641 2.3077 2.3077 3.0379 3.0379 3.4129 3.4129 4.1523 4.1523 4.3022 4.3022 4.5374 4.5374 5.2128 5.2128 6.9428 6.9428 7.2937 7.2937 7.4762 7.4762 8.3709 8.3709 9.1229 9.1229 k = 0.1250-0.0000-0.0000 ( 4704 PWs) bands (ev): -9.5417 -9.5417 -9.1645 -9.1645 -7.8706 -7.8706 -7.1805 -7.1805 -1.5673 -1.5673 -1.4652 -1.4652 -0.3527 -0.3527 -0.1875 -0.1875 0.9432 0.9432 1.1366 1.1366 1.3326 1.3326 1.8806 1.8806 2.3169 2.3169 3.0524 3.0524 3.4441 3.4441 4.2038 4.2038 4.2797 4.2797 4.5649 4.5649 5.2688 5.2688 6.9880 6.9880 7.3800 7.3800 7.5284 7.5284 8.4708 8.4708 9.1225 9.1225 k = 0.1364-0.0000-0.0000 ( 4702 PWs) bands (ev): -9.5146 -9.5146 -9.1384 -9.1384 -7.8506 -7.8506 -7.1676 -7.1676 -1.6616 -1.6616 -1.5687 -1.5687 -0.3260 -0.3260 -0.2918 -0.2918 0.9551 0.9551 0.9956 0.9956 1.3497 1.3497 1.8990 1.8990 2.3283 2.3283 3.0650 3.0650 3.4760 3.4760 4.2321 4.2321 4.2756 4.2756 4.5938 4.5938 5.3245 5.3245 7.0215 7.0215 7.4734 7.4734 7.5919 7.5919 8.5653 8.5653 9.1249 9.1249 k = 0.1477-0.0000-0.0000 ( 4706 PWs) bands (ev): -9.4853 -9.4853 -9.1101 -9.1101 -7.8291 -7.8291 -7.1541 -7.1541 -1.7595 -1.7595 -1.6762 -1.6762 -0.4026 -0.4026 -0.2959 -0.2959 0.8522 0.8522 0.9706 0.9706 1.3688 1.3688 1.9192 1.9192 2.3420 2.3420 3.0758 3.0758 3.5083 3.5083 4.2055 4.2055 4.3215 4.3215 4.6240 4.6240 5.3789 5.3789 7.0432 7.0432 7.5698 7.5698 7.6667 7.6667 8.6491 8.6491 9.1378 9.1378 k = 0.1591-0.0000-0.0000 ( 4700 PWs) bands (ev): -9.4537 -9.4537 -9.0797 -9.0797 -7.8063 -7.8063 -7.1401 -7.1401 -1.8600 -1.8600 -1.7868 -1.7868 -0.5170 -0.5170 -0.2648 -0.2648 0.7084 0.7084 0.9884 0.9884 1.3898 1.3898 1.9412 1.9412 2.3578 2.3578 3.0851 3.0851 3.5408 3.5408 4.1672 4.1672 4.3745 4.3745 4.6554 4.6554 5.4314 5.4314 7.0544 7.0544 7.6601 7.6601 7.7556 7.7556 8.7168 8.7168 9.1644 9.1644 k = 0.1705-0.0000-0.0000 ( 4698 PWs) bands (ev): -9.4199 -9.4199 -9.0472 -9.0472 -7.7822 -7.7822 -7.1258 -7.1258 -1.9623 -1.9623 -1.8998 -1.8998 -0.6353 -0.6353 -0.2320 -0.2320 0.5643 0.5643 1.0090 1.0090 1.4128 1.4128 1.9648 1.9648 2.3758 2.3758 3.0929 3.0929 3.5733 3.5733 4.1233 4.1233 4.4281 4.4281 4.6878 4.6878 5.4817 5.4817 7.0564 7.0564 7.7344 7.7344 7.8620 7.8620 8.7639 8.7639 9.2076 9.2076 k = 0.1818-0.0000-0.0000 ( 4698 PWs) bands (ev): -9.3838 -9.3838 -9.0126 -9.0126 -7.7570 -7.7570 -7.1115 -7.1115 -2.0656 -2.0656 -2.0145 -2.0145 -0.7567 -0.7567 -0.1982 -0.1982 0.4212 0.4212 1.0323 1.0323 1.4375 1.4375 1.9899 1.9899 2.3960 2.3960 3.0993 3.0993 3.6056 3.6056 4.0748 4.0748 4.4818 4.4818 4.7213 4.7213 5.5294 5.5294 7.0506 7.0506 7.7915 7.7915 7.9810 7.9810 8.7877 8.7877 9.2687 9.2687 k = 0.1932-0.0000-0.0000 ( 4686 PWs) bands (ev): -9.3456 -9.3456 -8.9760 -8.9760 -7.7308 -7.7308 -7.0974 -7.0974 -2.1690 -2.1690 -2.1302 -2.1302 -0.8806 -0.8806 -0.1653 -0.1653 0.2809 0.2809 1.0583 1.0583 1.4641 1.4641 2.0164 2.0164 2.4183 2.4183 3.1042 3.1042 3.6374 3.6374 4.0219 4.0219 4.5352 4.5352 4.7557 4.7557 5.5747 5.5747 7.0377 7.0377 7.8334 7.8334 8.1062 8.1062 8.7883 8.7883 9.3351 9.3351 k = 0.2045-0.0000-0.0000 ( 4670 PWs) bands (ev): -9.3052 -9.3052 -8.9373 -8.9373 -7.7037 -7.7037 -7.0836 -7.0836 -2.2718 -2.2718 -2.2462 -2.2462 -1.0065 -1.0065 -0.1391 -0.1391 0.1498 0.1498 1.0868 1.0868 1.4923 1.4923 2.0441 2.0441 2.4426 2.4426 3.1076 3.1076 3.6687 3.6687 3.9650 3.9650 4.5885 4.5885 4.7909 4.7909 5.6174 5.6174 7.0183 7.0183 7.8615 7.8615 8.2333 8.2333 8.7682 8.7682 9.3032 9.3032 k = 0.2159-0.0000-0.0000 ( 4670 PWs) bands (ev): -9.2626 -9.2626 -8.8967 -8.8967 -7.6758 -7.6758 -7.0704 -7.0704 -2.3734 -2.3734 -2.3621 -2.3621 -1.1338 -1.1338 -0.1448 -0.1448 0.0534 0.0534 1.1179 1.1179 1.5222 1.5222 2.0729 2.0729 2.4690 2.4690 3.1095 3.1095 3.6991 3.6991 3.9044 3.9044 4.6415 4.6415 4.8269 4.8269 5.6577 5.6577 6.9929 6.9929 7.8777 7.8777 8.3587 8.3587 8.7314 8.7314 9.2457 9.2457 k = 0.2273-0.0000-0.0000 ( 4678 PWs) bands (ev): -9.2180 -9.2180 -8.8542 -8.8542 -7.6474 -7.6474 -7.0581 -7.0581 -2.4777 -2.4777 -2.4724 -2.4724 -1.2620 -1.2620 -0.2263 -0.2263 0.0357 0.0357 1.1512 1.1512 1.5535 1.5535 2.1025 2.1025 2.4973 2.4973 3.1096 3.1096 3.7276 3.7276 3.8410 3.8410 4.6943 4.6943 4.8635 4.8635 5.6957 5.6957 6.9618 6.9618 7.8840 7.8840 8.4795 8.4795 8.6823 8.6823 9.1824 9.1824 k = 0.2386-0.0000-0.0000 ( 4686 PWs) bands (ev): -9.1713 -9.1713 -8.8098 -8.8098 -7.6187 -7.6187 -7.0470 -7.0470 -2.5913 -2.5913 -2.5693 -2.5693 -1.3906 -1.3906 -0.3515 -0.3515 0.0648 0.0648 1.1869 1.1869 1.5864 1.5864 2.1327 2.1327 2.5277 2.5277 3.1080 3.1080 3.7446 3.7446 3.7847 3.7847 4.7468 4.7468 4.9007 4.9007 5.7315 5.7315 6.9253 6.9253 7.8827 7.8827 8.5886 8.5886 8.6293 8.6293 9.1171 9.1171 k = 0.2500-0.0000-0.0000 ( 4684 PWs) bands (ev): -9.1226 -9.1226 -8.7637 -8.7637 -7.5898 -7.5898 -7.0375 -7.0375 -2.7034 -2.7034 -2.6626 -2.6626 -1.5193 -1.5193 -0.4873 -0.4873 0.1080 0.1080 1.2248 1.2248 1.6205 1.6205 2.1632 2.1632 2.5601 2.5601 3.1044 3.1044 3.6932 3.6932 3.7923 3.7923 4.7992 4.7992 4.9383 4.9383 5.7652 5.7652 6.8839 6.8839 7.8758 7.8758 8.5572 8.5572 8.7021 8.7021 9.0526 9.0526 k = 0.2614-0.0000-0.0000 ( 4684 PWs) bands (ev): -9.0719 -9.0719 -8.7158 -8.7158 -7.5610 -7.5610 -7.0298 -7.0298 -2.8130 -2.8130 -2.7518 -2.7518 -1.6477 -1.6477 -0.6256 -0.6256 0.1573 0.1573 1.2647 1.2647 1.6559 1.6559 2.1939 2.1939 2.5945 2.5945 3.0988 3.0988 3.6203 3.6203 3.8168 3.8168 4.8513 4.8513 4.9763 4.9763 5.7967 5.7967 6.8379 6.8379 7.8649 7.8649 8.4907 8.4907 8.7956 8.7956 8.9912 8.9912 k = 0.2727-0.0000-0.0000 ( 4692 PWs) bands (ev): -9.0192 -9.0192 -8.6662 -8.6662 -7.5326 -7.5326 -7.0243 -7.0243 -2.9198 -2.9198 -2.8364 -2.8364 -1.7755 -1.7755 -0.7641 -0.7641 0.2104 0.2104 1.3066 1.3066 1.6924 1.6924 2.2243 2.2243 2.6308 2.6308 3.0911 3.0911 3.5432 3.5432 3.8410 3.8410 4.9031 4.9032 5.0145 5.0145 5.8261 5.8261 6.7878 6.7878 7.8513 7.8513 8.4223 8.4223 8.8710 8.8710 8.9413 8.9413 k = 0.2841-0.0000-0.0000 ( 4684 PWs) bands (ev): -8.9647 -8.9647 -8.6151 -8.6151 -7.5048 -7.5048 -7.0214 -7.0214 -3.0232 -3.0232 -2.9156 -2.9156 -1.9021 -1.9021 -0.9016 -0.9016 0.2665 0.2665 1.3505 1.3505 1.7299 1.7299 2.2543 2.2543 2.6692 2.6692 3.0809 3.0809 3.4631 3.4631 3.8637 3.8637 4.9547 4.9547 5.0529 5.0529 5.8533 5.8533 6.7343 6.7343 7.8358 7.8358 8.3542 8.3542 8.8635 8.8635 8.9682 8.9682 k = 0.2955-0.0000-0.0000 ( 4678 PWs) bands (ev): -8.9084 -8.9084 -8.5625 -8.5625 -7.4780 -7.4780 -7.0215 -7.0215 -3.1227 -3.1227 -2.9890 -2.9890 -2.0275 -2.0275 -1.0377 -1.0377 0.3252 0.3252 1.3960 1.3960 1.7683 1.7683 2.2835 2.2835 2.7095 2.7095 3.0683 3.0683 3.3805 3.3805 3.8844 3.8844 5.0060 5.0060 5.0913 5.0913 5.8783 5.8783 6.6780 6.6780 7.8193 7.8193 8.2874 8.2874 8.8174 8.8174 9.0290 9.0290 k = 0.3068-0.0000-0.0000 ( 4696 PWs) bands (ev): -8.8504 -8.8504 -8.5085 -8.5085 -7.4525 -7.4525 -7.0248 -7.0248 -3.2177 -3.2177 -3.0559 -3.0559 -2.1512 -2.1512 -1.1721 -1.1721 0.3863 0.3863 1.4433 1.4433 1.8074 1.8074 2.3115 2.3115 2.7518 2.7518 3.0532 3.0532 3.2958 3.2958 3.9027 3.9027 5.0567 5.0567 5.1298 5.1298 5.9008 5.9008 6.6194 6.6194 7.8023 7.8023 8.2231 8.2231 8.7739 8.7739 9.0844 9.0844 k = 0.3182-0.0000-0.0000 ( 4698 PWs) bands (ev): -8.7906 -8.7906 -8.4533 -8.4533 -7.4287 -7.4287 -7.0318 -7.0318 -3.3078 -3.3078 -3.1159 -3.1159 -2.2730 -2.2730 -1.3044 -1.3044 0.4497 0.4497 1.4921 1.4921 1.8471 1.8471 2.3382 2.3382 2.7959 2.7959 3.0352 3.0352 3.2093 3.2093 3.9183 3.9183 5.1068 5.1068 5.1683 5.1683 5.9209 5.9209 6.5593 6.5593 7.7852 7.7852 8.1620 8.1620 8.7359 8.7359 9.1332 9.1332 k = 0.3295-0.0000-0.0000 ( 4706 PWs) bands (ev): -8.7293 -8.7293 -8.3969 -8.3969 -7.4070 -7.4070 -7.0427 -7.0427 -3.3923 -3.3923 -3.1686 -3.1686 -2.3926 -2.3926 -1.4344 -1.4344 0.5152 0.5152 1.5424 1.5424 1.8873 1.8873 2.3633 2.3633 2.8418 2.8418 3.0143 3.0143 3.1215 3.1215 3.9308 3.9308 5.1559 5.1559 5.2069 5.2069 5.9383 5.9383 6.4983 6.4983 7.7684 7.7684 8.1047 8.1047 8.7042 8.7042 9.1764 9.1764 k = 0.3409-0.0000-0.0000 ( 4712 PWs) bands (ev): -8.6665 -8.6665 -8.3396 -8.3396 -7.3878 -7.3878 -7.0578 -7.0578 -3.4708 -3.4708 -3.2134 -3.2134 -2.5097 -2.5097 -1.5619 -1.5619 0.5829 0.5829 1.5940 1.5940 1.9277 1.9277 2.3864 2.3864 2.8889 2.8889 2.9888 2.9888 3.0344 3.0344 3.9400 3.9400 5.2035 5.2035 5.2462 5.2462 5.9528 5.9528 6.4368 6.4368 7.7524 7.7524 8.0516 8.0516 8.6792 8.6792 9.2152 9.2152 k = 0.3523-0.0000-0.0000 ( 4704 PWs) bands (ev): -8.6022 -8.6022 -8.2814 -8.2814 -7.3715 -7.3715 -7.0773 -7.0773 -3.5427 -3.5427 -3.2500 -3.2500 -2.6239 -2.6239 -1.6867 -1.6867 0.6526 0.6526 1.6468 1.6468 1.9682 1.9682 2.4073 2.4073 2.9280 2.9280 2.9399 2.9399 2.9763 2.9763 3.9456 3.9456 5.2487 5.2487 5.2867 5.2867 5.9643 5.9643 6.3756 6.3756 7.7373 7.7373 8.0032 8.0032 8.6613 8.6613 9.2508 9.2508 k = 0.3636-0.0000-0.0000 ( 4704 PWs) bands (ev): -8.5367 -8.5367 -8.2225 -8.2225 -7.3586 -7.3586 -7.1014 -7.1014 -3.6074 -3.6074 -3.2783 -3.2783 -2.7352 -2.7352 -1.8087 -1.8087 0.7242 0.7242 1.7007 1.7007 2.0087 2.0087 2.4258 2.4258 2.8440 2.8440 2.9350 2.9350 2.9952 2.9952 3.9473 3.9473 5.2907 5.2907 5.3293 5.3293 5.9725 5.9725 6.3150 6.3150 7.7236 7.7236 7.9595 7.9595 8.6506 8.6506 9.2844 9.2844 k = 0.3750-0.0000-0.0000 ( 4702 PWs) bands (ev): -8.4699 -8.4699 -8.1631 -8.1631 -7.3494 -7.3494 -7.1301 -7.1301 -3.6646 -3.6646 -3.2981 -3.2981 -2.8430 -2.8430 -1.9277 -1.9277 0.7978 0.7978 1.7554 1.7554 2.0488 2.0488 2.4417 2.4417 2.7520 2.7520 2.9043 2.9043 3.0456 3.0456 3.9448 3.9448 5.3295 5.3295 5.3738 5.3738 5.9772 5.9772 6.2557 6.2557 7.7115 7.7115 7.9206 7.9206 8.6472 8.6472 9.3169 9.3169 k = 0.3864-0.0000-0.0000 ( 4702 PWs) bands (ev): -8.4021 -8.4021 -8.1035 -8.1035 -7.3443 -7.3443 -7.1634 -7.1634 -3.7137 -3.7137 -3.3091 -3.3091 -2.9472 -2.9472 -2.0434 -2.0434 0.8732 0.8732 1.8109 1.8109 2.0885 2.0885 2.4548 2.4548 2.6591 2.6591 2.8698 2.8698 3.0986 3.0986 3.9380 3.9380 5.3659 5.3659 5.4193 5.4193 5.9782 5.9782 6.1982 6.1982 7.7013 7.7013 7.8865 7.8865 8.6511 8.6511 9.3488 9.3488 k = 0.3977-0.0000-0.0000 ( 4698 PWs) bands (ev): -8.3334 -8.3334 -8.0439 -8.0439 -7.3437 -7.3437 -7.2012 -7.2012 -3.7542 -3.7542 -3.3116 -3.3116 -3.0475 -3.0475 -2.1557 -2.1557 0.9504 0.9504 1.8668 1.8668 2.1275 2.1275 2.4648 2.4648 2.5660 2.5660 2.8324 2.8324 3.1528 3.1528 3.9268 3.9268 5.4007 5.4007 5.4650 5.4650 5.9752 5.9752 6.1429 6.1429 7.6933 7.6933 7.8569 7.8569 8.6624 8.6624 9.3802 9.3802 k = 0.4091-0.0000-0.0000 ( 4692 PWs) bands (ev): -8.2639 -8.2639 -7.9845 -7.9845 -7.3478 -7.3478 -7.2434 -7.2434 -3.7860 -3.7860 -3.3055 -3.3055 -3.1434 -3.1434 -2.2644 -2.2644 1.0292 1.0292 1.9227 1.9227 2.1655 2.1655 2.4689 2.4689 2.4759 2.4759 2.7924 2.7924 3.2078 3.2078 3.9110 3.9110 5.4345 5.4345 5.5103 5.5103 5.9674 5.9674 6.0907 6.0907 7.6876 7.6876 7.8314 7.8314 8.6809 8.6809 9.3498 9.3498 k = 0.4205-0.0000-0.0000 ( 4696 PWs) bands (ev): -8.1938 -8.1938 -7.9256 -7.9256 -7.3568 -7.3568 -7.2898 -7.2898 -3.8087 -3.8087 -3.2912 -3.2912 -3.2345 -3.2345 -2.3693 -2.3693 1.1098 1.1098 1.9780 1.9780 2.2023 2.2023 2.3809 2.3809 2.4758 2.4758 2.7499 2.7499 3.2632 3.2632 3.8907 3.8907 5.4676 5.4676 5.5549 5.5549 5.9537 5.9537 6.0430 6.0430 7.6843 7.6843 7.8097 7.8097 8.7066 8.7066 9.2927 9.2927 k = 0.4318-0.0000-0.0000 ( 4692 PWs) bands (ev): -8.1233 -8.1233 -7.8675 -7.8675 -7.3709 -7.3709 -7.3400 -7.3400 -3.8222 -3.8222 -3.3214 -3.3214 -3.2679 -3.2679 -2.4701 -2.4701 1.1919 1.1919 2.0303 2.0303 2.2371 2.2371 2.2930 2.2930 2.4762 2.4762 2.7050 2.7050 3.3187 3.3187 3.8659 3.8659 5.5005 5.5005 5.5985 5.5985 5.9318 5.9318 6.0022 6.0022 7.6833 7.6833 7.7912 7.7912 8.7393 8.7393 9.2441 9.2441 k = 0.4432-0.0000-0.0000 ( 4702 PWs) bands (ev): -8.0526 -8.0526 -7.8106 -7.8106 -7.3939 -7.3939 -7.3901 -7.3901 -3.8263 -3.8263 -3.4022 -3.4022 -3.2375 -3.2375 -2.5667 -2.5667 1.2755 1.2755 2.0695 2.0695 2.2158 2.2158 2.2729 2.2729 2.4732 2.4732 2.6580 2.6580 3.3741 3.3741 3.8367 3.8367 5.5333 5.5333 5.6409 5.6409 5.9003 5.9003 5.9696 5.9696 7.6847 7.6847 7.7753 7.7753 8.7788 8.7788 9.2046 9.2046 k = 0.4545-0.0000-0.0000 ( 4690 PWs) bands (ev): -7.9819 -7.9819 -7.7552 -7.7552 -7.4510 -7.4510 -7.4142 -7.4142 -3.8212 -3.8212 -3.4773 -3.4773 -3.1993 -3.1993 -2.6588 -2.6588 1.3604 1.3604 2.0519 2.0519 2.1983 2.1983 2.3044 2.3044 2.4669 2.4669 2.6091 2.6091 3.4289 3.4289 3.8035 3.8035 5.5663 5.5663 5.6819 5.6819 5.8625 5.8625 5.9423 5.9423 7.6881 7.6881 7.7614 7.7614 8.8248 8.8248 9.1750 9.1750 k = 0.4659-0.0000-0.0000 ( 4694 PWs) bands (ev): -7.9115 -7.9115 -7.7016 -7.7016 -7.5110 -7.5110 -7.4432 -7.4432 -3.8070 -3.8070 -3.5463 -3.5463 -3.1537 -3.1537 -2.7461 -2.7461 1.4467 1.4467 1.9776 1.9776 2.2373 2.2373 2.3342 2.3342 2.4572 2.4572 2.5584 2.5584 3.4828 3.4828 3.7665 3.7665 5.5999 5.5999 5.7213 5.7213 5.8225 5.8225 5.9161 5.9161 7.6934 7.6934 7.7490 7.7490 8.8772 8.8772 9.1557 9.1557 k = 0.4773-0.0000-0.0000 ( 4694 PWs) bands (ev): -7.8417 -7.8417 -7.6504 -7.6504 -7.5735 -7.5735 -7.4768 -7.4768 -3.7838 -3.7838 -3.6087 -3.6087 -3.1012 -3.1012 -2.8284 -2.8284 1.5341 1.5341 1.8908 1.8908 2.2890 2.2890 2.3617 2.3617 2.4441 2.4441 2.5063 2.5063 3.5354 3.5354 3.7258 3.7258 5.6342 5.6342 5.7587 5.7587 5.7828 5.7828 5.8888 5.8888 7.7002 7.7002 7.7377 7.7377 8.9356 8.9356 9.1472 9.1472 k = 0.4886-0.0000-0.0000 ( 4684 PWs) bands (ev): -7.7726 -7.7726 -7.6382 -7.6382 -7.6019 -7.6019 -7.5147 -7.5147 -3.7520 -3.7520 -3.6641 -3.6641 -3.0421 -3.0421 -2.9054 -2.9054 1.6226 1.6226 1.8015 1.8015 2.3433 2.3433 2.3868 2.3868 2.4276 2.4276 2.4531 2.4531 3.5865 3.5865 3.6821 3.6821 5.6695 5.6695 5.7436 5.7436 5.7947 5.7947 5.8596 5.8596 7.7083 7.7083 7.7272 7.7272 8.9995 8.9995 9.1411 9.1411 k = 0.5000-0.0000-0.0000 ( 4682 PWs) bands (ev): -7.7047 -7.7047 -7.7047 -7.7047 -7.5565 -7.5565 -7.5565 -7.5565 -3.7120 -3.7120 -3.7120 -3.7120 -2.9767 -2.9767 -2.9767 -2.9767 1.7118 1.7118 1.7118 1.7118 2.3974 2.3974 2.3974 2.3974 2.4097 2.4097 2.4097 2.4097 3.6355 3.6355 3.6355 3.6355 5.7059 5.7059 5.7059 5.7059 5.8282 5.8282 5.8282 5.8282 7.7174 7.7174 7.7174 7.7174 9.0685 9.0685 9.0685 9.0685 k = 0.5000-0.0000-0.0000 ( 4682 PWs) bands (ev): -7.7047 -7.7047 -7.7047 -7.7047 -7.5565 -7.5565 -7.5565 -7.5565 -3.7120 -3.7120 -3.7120 -3.7120 -2.9767 -2.9767 -2.9767 -2.9767 1.7118 1.7118 1.7118 1.7118 2.3974 2.3974 2.3974 2.3974 2.4097 2.4097 2.4097 2.4097 3.6355 3.6355 3.6355 3.6355 5.7059 5.7059 5.7059 5.7059 5.8282 5.8282 5.8282 5.8282 7.7174 7.7174 7.7174 7.7174 9.0685 9.0685 9.0685 9.0685 k = 0.5000 0.0115-0.0000 ( 4694 PWs) bands (ev): -7.7044 -7.7044 -7.7044 -7.7044 -7.5563 -7.5563 -7.5563 -7.5563 -3.7115 -3.7115 -3.7114 -3.7114 -2.9766 -2.9766 -2.9765 -2.9765 1.7118 1.7118 1.7120 1.7120 2.3862 2.3862 2.3923 2.3923 2.4103 2.4103 2.4154 2.4154 3.6340 3.6340 3.6349 3.6349 5.6988 5.6988 5.7069 5.7069 5.8193 5.8193 5.8278 5.8278 7.7193 7.7193 7.7204 7.7204 9.0680 9.0680 9.0758 9.0758 k = 0.5000 0.0229-0.0000 ( 4690 PWs) bands (ev): -7.7036 -7.7036 -7.7036 -7.7036 -7.5558 -7.5558 -7.5558 -7.5558 -3.7098 -3.7098 -3.7098 -3.7098 -2.9760 -2.9760 -2.9760 -2.9760 1.7119 1.7119 1.7124 1.7124 2.3685 2.3685 2.3755 2.3755 2.4126 2.4126 2.4175 2.4175 3.6304 3.6304 3.6323 3.6323 5.6853 5.6853 5.7018 5.7018 5.8010 5.8010 5.8184 5.8184 7.7262 7.7262 7.7284 7.7284 9.0761 9.0761 9.0894 9.0894 k = 0.5000 0.0344-0.0000 ( 4688 PWs) bands (ev): -7.7022 -7.7022 -7.7022 -7.7022 -7.5548 -7.5548 -7.5548 -7.5548 -3.7071 -3.7071 -3.7071 -3.7071 -2.9752 -2.9752 -2.9751 -2.9751 1.7122 1.7122 1.7130 1.7130 2.3458 2.3458 2.3532 2.3532 2.4106 2.4106 2.4148 2.4148 3.6248 3.6248 3.6276 3.6276 5.6654 5.6654 5.6910 5.6910 5.7739 5.7739 5.8008 5.8008 7.7379 7.7379 7.7411 7.7411 9.0942 9.0942 9.1103 9.1103 k = 0.5000 0.0459-0.0000 ( 4676 PWs) bands (ev): -7.7004 -7.7004 -7.7003 -7.7003 -7.5535 -7.5535 -7.5535 -7.5535 -3.7033 -3.7033 -3.7033 -3.7033 -2.9740 -2.9740 -2.9739 -2.9739 1.7125 1.7125 1.7136 1.7136 2.3185 2.3185 2.3262 2.3262 2.4039 2.4039 2.4073 2.4073 3.6171 3.6171 3.6208 3.6208 5.6389 5.6389 5.6744 5.6744 5.7386 5.7386 5.7758 5.7758 7.7543 7.7543 7.7585 7.7585 9.1231 9.1231 9.1401 9.1401 k = 0.5000 0.0573-0.0000 ( 4680 PWs) bands (ev): -7.6980 -7.6980 -7.6979 -7.6979 -7.5518 -7.5518 -7.5518 -7.5518 -3.6985 -3.6985 -3.6984 -3.6984 -2.9725 -2.9725 -2.9724 -2.9724 1.7128 1.7128 1.7142 1.7142 2.2871 2.2871 2.2949 2.2949 2.3929 2.3929 2.3954 2.3954 3.6074 3.6074 3.6121 3.6121 5.6056 5.6056 5.6517 5.6517 5.6968 5.6968 5.7448 5.7448 7.7751 7.7751 7.7803 7.7803 9.1628 9.1628 9.1796 9.1796 k = 0.5000 0.0688-0.0000 ( 4688 PWs) bands (ev): -7.6951 -7.6951 -7.6950 -7.6950 -7.5498 -7.5498 -7.5498 -7.5498 -3.6926 -3.6926 -3.6925 -3.6925 -2.9707 -2.9707 -2.9705 -2.9705 1.7128 1.7128 1.7145 1.7145 2.2518 2.2518 2.2598 2.2598 2.3777 2.3777 2.3792 2.3792 3.5957 3.5957 3.6013 3.6013 5.5656 5.5656 5.6197 5.6197 5.6529 5.6529 5.7092 5.7092 7.8000 7.8000 7.8060 7.8060 9.2133 9.2133 9.2292 9.2292 k = 0.5000 0.0803-0.0000 ( 4692 PWs) bands (ev): -7.6917 -7.6917 -7.6916 -7.6916 -7.5475 -7.5475 -7.5475 -7.5475 -3.6857 -3.6857 -3.6856 -3.6856 -2.9687 -2.9687 -2.9684 -2.9684 1.7124 1.7124 1.7145 1.7145 2.2133 2.2133 2.2212 2.2212 2.3589 2.3589 2.3592 2.3592 3.5820 3.5820 3.5885 3.5885 5.5189 5.5189 5.5722 5.5722 5.6145 5.6145 5.6704 5.6704 7.8286 7.8286 7.8354 7.8354 9.2740 9.2740 9.2887 9.2887 k = 0.5000 0.0917-0.0000 ( 4692 PWs) bands (ev): -7.6878 -7.6878 -7.6878 -7.6878 -7.5448 -7.5448 -7.5448 -7.5448 -3.6778 -3.6778 -3.6777 -3.6777 -2.9663 -2.9663 -2.9661 -2.9661 1.7112 1.7112 1.7139 1.7139 2.1719 2.1719 2.1798 2.1798 2.3360 2.3360 2.3370 2.3370 3.5665 3.5665 3.5738 3.5738 5.4658 5.4658 5.5126 5.5126 5.5799 5.5799 5.6295 5.6295 7.8605 7.8605 7.8680 7.8680 9.3446 9.3446 9.3578 9.3578 k = 0.5000 0.1032-0.0000 ( 4692 PWs) bands (ev): -7.6835 -7.6835 -7.6835 -7.6835 -7.5419 -7.5419 -7.5419 -7.5419 -3.6690 -3.6690 -3.6689 -3.6689 -2.9638 -2.9638 -2.9635 -2.9635 1.7089 1.7089 1.7121 1.7121 2.1282 2.1282 2.1360 2.1360 2.3102 2.3102 2.3125 2.3125 3.5490 3.5490 3.5572 3.5572 5.4068 5.4068 5.4464 5.4464 5.5449 5.5449 5.5874 5.5874 7.8953 7.8953 7.9033 7.9033 9.4244 9.4244 9.4359 9.4359 k = 0.5000 0.1147-0.0000 ( 4688 PWs) bands (ev): -7.6788 -7.6788 -7.6787 -7.6787 -7.5387 -7.5387 -7.5387 -7.5387 -3.6593 -3.6593 -3.6591 -3.6591 -2.9610 -2.9610 -2.9607 -2.9607 1.7051 1.7051 1.7089 1.7089 2.0829 2.0829 2.0904 2.0904 2.2824 2.2824 2.2862 2.2862 3.5298 3.5298 3.5388 3.5388 5.3430 5.3430 5.3759 5.3759 5.5087 5.5087 5.5448 5.5448 7.9325 7.9325 7.9410 7.9410 9.5129 9.5129 9.5223 9.5223 k = 0.5000 0.1261-0.0000 ( 4686 PWs) bands (ev): -7.6737 -7.6737 -7.6736 -7.6736 -7.5352 -7.5352 -7.5352 -7.5352 -3.6487 -3.6487 -3.6485 -3.6485 -2.9581 -2.9581 -2.9578 -2.9578 1.6991 1.6991 1.7034 1.7034 2.0367 2.0367 2.0438 2.0438 2.2535 2.2535 2.2589 2.2589 3.5090 3.5090 3.5187 3.5187 5.2751 5.2751 5.3023 5.3023 5.4715 5.4715 5.5020 5.5020 7.9716 7.9716 7.9805 7.9805 9.6093 9.6093 9.6164 9.6164 k = 0.5000 0.1376-0.0000 ( 4690 PWs) bands (ev): -7.6682 -7.6682 -7.6681 -7.6681 -7.5315 -7.5315 -7.5315 -7.5315 -3.6373 -3.6373 -3.6371 -3.6371 -2.9550 -2.9550 -2.9547 -2.9547 1.6902 1.6902 1.6951 1.6951 1.9902 1.9902 1.9967 1.9967 2.2242 2.2242 2.2314 2.2314 3.4865 3.4865 3.4970 3.4970 5.2041 5.2041 5.2265 5.2265 5.4335 5.4335 5.4594 5.4594 8.0123 8.0123 8.0215 8.0215 9.7131 9.7131 9.7170 9.7170 k = 0.5000 0.1491-0.0000 ( 4690 PWs) bands (ev): -7.6624 -7.6624 -7.6623 -7.6623 -7.5276 -7.5276 -7.5276 -7.5276 -3.6251 -3.6251 -3.6249 -3.6249 -2.9519 -2.9519 -2.9515 -2.9515 1.6776 1.6776 1.6829 1.6829 1.9442 1.9442 1.9499 1.9499 2.1957 2.1957 2.2047 2.2047 3.4626 3.4626 3.4739 3.4739 5.1309 5.1309 5.1492 5.1492 5.3953 5.3953 5.4173 5.4173 8.0542 8.0542 8.0636 8.0636 9.8227 9.8227 9.8233 9.8233 k = 0.5000 0.1605-0.0000 ( 4692 PWs) bands (ev): -7.6563 -7.6563 -7.6562 -7.6562 -7.5236 -7.5236 -7.5236 -7.5236 -3.6123 -3.6123 -3.6121 -3.6121 -2.9487 -2.9487 -2.9483 -2.9483 1.6605 1.6605 1.6660 1.6660 1.8994 1.8994 1.9040 1.9040 2.1689 2.1689 2.1797 2.1797 3.4375 3.4375 3.4495 3.4495 5.0562 5.0562 5.0712 5.0712 5.3571 5.3571 5.3759 5.3759 8.0968 8.0968 8.1063 8.1063 9.9306 9.9306 9.9386 9.9386 k = 0.5000 0.1720-0.0000 ( 4698 PWs) bands (ev): -7.6499 -7.6499 -7.6499 -7.6499 -7.5194 -7.5194 -7.5194 -7.5194 -3.5988 -3.5988 -3.5986 -3.5986 -2.9454 -2.9454 -2.9451 -2.9451 1.6383 1.6383 1.6435 1.6435 1.8564 1.8564 1.8595 1.8595 2.1448 2.1448 2.1572 2.1572 3.4113 3.4113 3.4239 3.4239 4.9807 4.9807 4.9929 4.9929 5.3193 5.3193 5.3354 5.3354 8.1400 8.1400 8.1495 8.1495 10.0337 10.0337 10.0544 10.0544 k = 0.5000 0.1835-0.0000 ( 4706 PWs) bands (ev): -7.6434 -7.6434 -7.6433 -7.6433 -7.5151 -7.5151 -7.5151 -7.5151 -3.5848 -3.5848 -3.5846 -3.5846 -2.9422 -2.9422 -2.9418 -2.9418 1.6108 1.6108 1.6152 1.6152 1.8154 1.8154 1.8167 1.8167 2.1241 2.1241 2.1380 2.1380 3.3841 3.3841 3.3974 3.3974 4.9051 4.9051 4.9149 4.9149 5.2823 5.2823 5.2961 5.2961 8.1834 8.1834 8.1929 8.1929 10.1160 10.1160 10.1450 10.1450 k = 0.5000 0.1949-0.0000 ( 4710 PWs) bands (ev): -7.6367 -7.6367 -7.6366 -7.6366 -7.5108 -7.5108 -7.5108 -7.5108 -3.5703 -3.5703 -3.5701 -3.5701 -2.9391 -2.9391 -2.9387 -2.9387 1.5782 1.5782 1.5817 1.5817 1.7755 1.7755 1.7759 1.7759 2.1075 2.1075 2.1226 2.1226 3.3563 3.3563 3.3702 3.3702 4.8299 4.8299 4.8376 4.8376 5.2462 5.2462 5.2581 5.2581 8.2267 8.2267 8.2362 8.2362 10.1642 10.1642 10.1805 10.1805 k = 0.5000 0.2064-0.0000 ( 4718 PWs) bands (ev): -7.6298 -7.6298 -7.6297 -7.6297 -7.5064 -7.5064 -7.5064 -7.5064 -3.5554 -3.5554 -3.5552 -3.5552 -2.9361 -2.9361 -2.9357 -2.9357 1.5414 1.5414 1.5440 1.5440 1.7355 1.7355 1.7375 1.7375 2.0950 2.0950 2.1110 2.1110 3.3280 3.3280 3.3425 3.3425 4.7556 4.7556 4.7615 4.7615 5.2113 5.2113 5.2216 5.2216 8.2699 8.2699 8.2793 8.2793 10.1873 10.1873 10.1941 10.1941 k = 0.5000 0.2179-0.0000 ( 4710 PWs) bands (ev): -7.6229 -7.6229 -7.6228 -7.6228 -7.5020 -7.5020 -7.5020 -7.5020 -3.5402 -3.5402 -3.5400 -3.5400 -2.9332 -2.9332 -2.9327 -2.9327 1.5018 1.5018 1.5034 1.5034 1.6963 1.6963 1.6994 1.6994 2.0866 2.0866 2.1032 2.1032 3.2995 3.2995 3.3144 3.3144 4.6826 4.6826 4.6870 4.6870 5.1778 5.1778 5.1867 5.1867 8.3127 8.3127 8.3219 8.3219 10.1967 10.1967 10.1985 10.1985 k = 0.5000 0.2293-0.0000 ( 4714 PWs) bands (ev): -7.6159 -7.6159 -7.6158 -7.6158 -7.4977 -7.4977 -7.4976 -7.4976 -3.5248 -3.5248 -3.5246 -3.5246 -2.9304 -2.9304 -2.9300 -2.9300 1.4604 1.4604 1.4611 1.4611 1.6576 1.6576 1.6615 1.6615 2.0819 2.0819 2.0986 2.0986 3.2710 3.2710 3.2863 3.2863 4.6113 4.6113 4.6144 4.6144 5.1457 5.1457 5.1535 5.1535 8.3550 8.3550 8.3639 8.3639 10.1968 10.1968 10.1979 10.1979 k = 0.5000 0.2408-0.0000 ( 4714 PWs) bands (ev): -7.6089 -7.6089 -7.6088 -7.6088 -7.4934 -7.4934 -7.4934 -7.4934 -3.5093 -3.5093 -3.5090 -3.5090 -2.9279 -2.9279 -2.9275 -2.9275 1.4182 1.4182 1.4184 1.4184 1.6193 1.6193 1.6236 1.6236 2.0802 2.0802 2.0969 2.0969 3.2427 3.2427 3.2583 3.2583 4.5421 4.5421 4.5441 4.5441 5.1153 5.1153 5.1220 5.1220 8.3966 8.3966 8.4052 8.4052 10.1906 10.1906 10.1934 10.1934 k = 0.5000 0.2523-0.0000 ( 4714 PWs) bands (ev): -7.6020 -7.6020 -7.6019 -7.6019 -7.4892 -7.4892 -7.4892 -7.4892 -3.4937 -3.4937 -3.4935 -3.4935 -2.9256 -2.9256 -2.9252 -2.9252 1.3760 1.3760 1.3763 1.3763 1.5815 1.5815 1.5860 1.5860 2.0810 2.0810 2.0976 2.0976 3.2149 3.2149 3.2308 3.2308 4.4752 4.4752 4.4763 4.4763 5.0865 5.0865 5.0923 5.0923 8.4374 8.4374 8.4457 8.4457 10.1809 10.1809 10.1847 10.1847 k = 0.5000 0.2637-0.0000 ( 4710 PWs) bands (ev): -7.5952 -7.5952 -7.5951 -7.5951 -7.4852 -7.4852 -7.4851 -7.4851 -3.4783 -3.4783 -3.4781 -3.4781 -2.9236 -2.9236 -2.9231 -2.9231 1.3346 1.3346 1.3352 1.3352 1.5444 1.5444 1.5489 1.5489 2.0838 2.0838 2.1001 2.1001 3.1878 3.1878 3.2038 3.2038 4.4111 4.4111 4.4114 4.4114 5.0594 5.0594 5.0645 5.0645 8.4771 8.4771 8.4851 8.4851 10.1685 10.1685 10.1728 10.1728 k = 0.5000 0.2752-0.0000 ( 4718 PWs) bands (ev): -7.5886 -7.5886 -7.5885 -7.5885 -7.4813 -7.4813 -7.4812 -7.4812 -3.4631 -3.4631 -3.4629 -3.4629 -2.9218 -2.9218 -2.9214 -2.9214 1.2946 1.2946 1.2955 1.2955 1.5084 1.5084 1.5128 1.5128 2.0881 2.0881 2.1040 2.1040 3.1616 3.1616 3.1776 3.1776 4.3497 4.3497 4.3501 4.3501 5.0341 5.0341 5.0385 5.0385 8.5158 8.5158 8.5234 8.5234 10.1539 10.1539 10.1585 10.1585 k = 0.5000 0.2867-0.0000 ( 4718 PWs) bands (ev): -7.5822 -7.5822 -7.5822 -7.5822 -7.4776 -7.4776 -7.4775 -7.4775 -3.4483 -3.4483 -3.4481 -3.4481 -2.9203 -2.9203 -2.9199 -2.9199 1.2565 1.2565 1.2575 1.2575 1.4738 1.4738 1.4779 1.4779 2.0936 2.0936 2.1089 2.1089 3.1366 3.1366 3.1524 3.1524 4.2914 4.2914 4.2923 4.2923 5.0105 5.0105 5.0144 5.0144 8.5531 8.5531 8.5603 8.5603 10.1378 10.1378 10.1424 10.1424 k = 0.5000 0.2981-0.0000 ( 4714 PWs) bands (ev): -7.5761 -7.5761 -7.5760 -7.5760 -7.4741 -7.4741 -7.4741 -7.4741 -3.4339 -3.4339 -3.4337 -3.4337 -2.9190 -2.9190 -2.9186 -2.9186 1.2206 1.2206 1.2217 1.2217 1.4408 1.4408 1.4447 1.4447 2.0999 2.0999 2.1145 2.1145 3.1129 3.1129 3.1284 3.1284 4.2368 4.2368 4.2380 4.2380 4.9888 4.9888 4.9922 4.9922 8.5889 8.5889 8.5956 8.5956 10.1206 10.1206 10.1251 10.1251 k = 0.5000 0.3096-0.0000 ( 4722 PWs) bands (ev): -7.5703 -7.5703 -7.5702 -7.5702 -7.4709 -7.4709 -7.4708 -7.4708 -3.4202 -3.4202 -3.4200 -3.4200 -2.9180 -2.9180 -2.9177 -2.9177 1.1871 1.1871 1.1883 1.1883 1.4098 1.4098 1.4133 1.4133 2.1066 2.1066 2.1204 2.1204 3.0907 3.0907 3.1057 3.1057 4.1860 4.1860 4.1876 4.1876 4.9690 4.9690 4.9719 4.9719 8.6230 8.6230 8.6293 8.6293 10.1028 10.1028 10.1070 10.1070 k = 0.5000 0.3210-0.0000 ( 4718 PWs) bands (ev): -7.5649 -7.5649 -7.5648 -7.5648 -7.4679 -7.4679 -7.4678 -7.4678 -3.4072 -3.4072 -3.4070 -3.4070 -2.9173 -2.9173 -2.9170 -2.9170 1.1563 1.1563 1.1574 1.1574 1.3809 1.3809 1.3841 1.3841 2.1136 2.1136 2.1266 2.1266 3.0702 3.0702 3.0846 3.0846 4.1394 4.1394 4.1412 4.1412 4.9509 4.9509 4.9535 4.9535 8.6552 8.6552 8.6609 8.6609 10.0848 10.0848 10.0888 10.0888 k = 0.5000 0.3325-0.0000 ( 4716 PWs) bands (ev): -7.5599 -7.5599 -7.5598 -7.5598 -7.4652 -7.4652 -7.4651 -7.4651 -3.3950 -3.3950 -3.3949 -3.3949 -2.9168 -2.9168 -2.9165 -2.9165 1.1284 1.1284 1.1294 1.1294 1.3545 1.3545 1.3573 1.3573 2.1206 2.1206 2.1326 2.1326 3.0516 3.0516 3.0650 3.0650 4.0972 4.0972 4.0990 4.0990 4.9348 4.9348 4.9370 4.9370 8.6852 8.6852 8.6904 8.6904 10.0672 10.0672 10.0709 10.0709 k = 0.5000 0.3440-0.0000 ( 4712 PWs) bands (ev): -7.5553 -7.5553 -7.5552 -7.5552 -7.4628 -7.4628 -7.4627 -7.4627 -3.3839 -3.3839 -3.3838 -3.3838 -2.9165 -2.9165 -2.9162 -2.9162 1.1034 1.1034 1.1044 1.1044 1.3307 1.3307 1.3332 1.3332 2.1274 2.1274 2.1383 2.1383 3.0349 3.0349 3.0473 3.0473 4.0594 4.0594 4.0613 4.0613 4.9205 4.9205 4.9224 4.9224 8.7127 8.7127 8.7173 8.7173 10.0503 10.0503 10.0536 10.0536 k = 0.5000 0.3554-0.0000 ( 4712 PWs) bands (ev): -7.5513 -7.5513 -7.5512 -7.5512 -7.4606 -7.4606 -7.4606 -7.4606 -3.3740 -3.3740 -3.3738 -3.3738 -2.9164 -2.9164 -2.9161 -2.9161 1.0816 1.0816 1.0824 1.0824 1.3097 1.3097 1.3118 1.3118 2.1338 2.1338 2.1435 2.1435 3.0204 3.0204 3.0315 3.0315 4.0264 4.0264 4.0282 4.0282 4.9081 4.9081 4.9097 4.9097 8.7374 8.7374 8.7415 8.7415 10.0346 10.0346 10.0375 10.0375 k = 0.5000 0.3669-0.0000 ( 4712 PWs) bands (ev): -7.5477 -7.5477 -7.5477 -7.5477 -7.4589 -7.4589 -7.4588 -7.4588 -3.3653 -3.3653 -3.3652 -3.3652 -2.9163 -2.9163 -2.9161 -2.9161 1.0629 1.0629 1.0637 1.0637 1.2917 1.2917 1.2935 1.2935 2.1398 2.1398 2.1480 2.1480 3.0081 3.0081 3.0177 3.0177 3.9982 3.9982 3.9998 3.9998 4.8976 4.8976 4.8989 4.8989 8.7591 8.7591 8.7625 8.7625 10.0205 10.0205 10.0229 10.0229 k = 0.5000 0.3784-0.0000 ( 4712 PWs) bands (ev): -7.5448 -7.5448 -7.5448 -7.5448 -7.4574 -7.4574 -7.4574 -7.4574 -3.3580 -3.3580 -3.3579 -3.3579 -2.9164 -2.9164 -2.9162 -2.9162 1.0476 1.0476 1.0482 1.0482 1.2769 1.2769 1.2783 1.2783 2.1450 2.1450 2.1518 2.1518 2.9981 2.9981 3.0060 3.0060 3.9750 3.9750 3.9764 3.9764 4.8891 4.8891 4.8901 4.8901 8.7775 8.7775 8.7802 8.7802 10.0084 10.0084 10.0104 10.0104 k = 0.5000 0.3898-0.0000 ( 4712 PWs) bands (ev): -7.5425 -7.5425 -7.5425 -7.5425 -7.4562 -7.4562 -7.4562 -7.4562 -3.3522 -3.3522 -3.3521 -3.3521 -2.9165 -2.9165 -2.9163 -2.9163 1.0356 1.0356 1.0361 1.0361 1.2652 1.2652 1.2663 1.2663 2.1494 2.1494 2.1546 2.1546 2.9905 2.9905 2.9966 2.9966 3.9569 3.9569 3.9580 3.9580 4.8824 4.8824 4.8832 4.8832 8.7921 8.7921 8.7942 8.7942 9.9986 9.9986 10.0001 10.0001 k = 0.5000 0.4013-0.0000 ( 4708 PWs) bands (ev): -7.5408 -7.5408 -7.5408 -7.5408 -7.4554 -7.4554 -7.4554 -7.4554 -3.3480 -3.3480 -3.3480 -3.3480 -2.9166 -2.9166 -2.9165 -2.9165 1.0270 1.0270 1.0274 1.0274 1.2569 1.2569 1.2576 1.2576 2.1529 2.1529 2.1564 2.1564 2.9853 2.9853 2.9895 2.9895 3.9439 3.9439 3.9447 3.9447 4.8777 4.8777 4.8782 4.8782 8.8029 8.8029 8.8043 8.8043 9.9915 9.9915 9.9925 9.9925 k = 0.5000 0.4128-0.0000 ( 4704 PWs) bands (ev): -7.5398 -7.5398 -7.5398 -7.5398 -7.4549 -7.4549 -7.4549 -7.4549 -3.3454 -3.3454 -3.3454 -3.3454 -2.9166 -2.9166 -2.9166 -2.9166 1.0219 1.0219 1.0221 1.0221 1.2519 1.2519 1.2523 1.2523 2.1554 2.1554 2.1572 2.1572 2.9826 2.9826 2.9847 2.9847 3.9362 3.9362 3.9366 3.9366 4.8749 4.8749 4.8751 4.8751 8.8096 8.8096 8.8103 8.8103 9.9872 9.9872 9.9877 9.9877 k = 0.5000 0.4242-0.0000 ( 4708 PWs) bands (ev): -7.5395 -7.5395 -7.5395 -7.5395 -7.4547 -7.4547 -7.4547 -7.4547 -3.3446 -3.3446 -3.3446 -3.3446 -2.9166 -2.9166 -2.9166 -2.9166 1.0203 1.0203 1.0203 1.0203 1.2504 1.2504 1.2504 1.2504 2.1568 2.1568 2.1568 2.1568 2.9824 2.9824 2.9824 2.9824 3.9338 3.9338 3.9338 3.9338 4.8740 4.8740 4.8740 4.8740 8.8121 8.8121 8.8121 8.8121 9.9859 9.9859 9.9859 9.9859 k = 0.5000 0.4242-0.0000 ( 4708 PWs) bands (ev): -7.5395 -7.5395 -7.5395 -7.5395 -7.4547 -7.4547 -7.4547 -7.4547 -3.3446 -3.3446 -3.3446 -3.3446 -2.9166 -2.9166 -2.9166 -2.9166 1.0203 1.0203 1.0203 1.0203 1.2504 1.2504 1.2504 1.2504 2.1568 2.1568 2.1568 2.1568 2.9824 2.9824 2.9824 2.9824 3.9338 3.9338 3.9338 3.9338 4.8740 4.8740 4.8740 4.8740 8.8121 8.8121 8.8121 8.8121 9.9859 9.9859 9.9859 9.9859 k = 0.4886 0.4242-0.0000 ( 4708 PWs) bands (ev): -7.5673 -7.5673 -7.5655 -7.5655 -7.4312 -7.4312 -7.4293 -7.4293 -3.3487 -3.3487 -3.3482 -3.3482 -2.9066 -2.9066 -2.9064 -2.9064 0.9889 0.9889 0.9977 0.9977 1.2727 1.2727 1.2826 1.2826 2.1538 2.1538 2.1551 2.1551 2.9762 2.9762 2.9780 2.9780 3.9422 3.9422 3.9426 3.9426 4.8775 4.8775 4.8785 4.8785 8.8067 8.8067 8.8088 8.8088 9.9882 9.9882 9.9923 9.9923 k = 0.4773 0.4242-0.0000 ( 4704 PWs) bands (ev): -7.6173 -7.6173 -7.6153 -7.6153 -7.3887 -7.3887 -7.3863 -7.3863 -3.3590 -3.3590 -3.3581 -3.3581 -2.8777 -2.8777 -2.8774 -2.8774 0.9272 0.9272 0.9393 0.9393 1.3310 1.3310 1.3453 1.3453 2.1461 2.1461 2.1488 2.1488 2.9602 2.9602 2.9639 2.9639 3.9670 3.9670 3.9678 3.9678 4.8889 4.8889 4.8908 4.8908 8.7928 8.7928 8.7968 8.7968 9.9991 9.9991 10.0072 10.0072 k = 0.4659 0.4242-0.0000 ( 4708 PWs) bands (ev): -7.6730 -7.6730 -7.6710 -7.6710 -7.3451 -7.3451 -7.3426 -7.3426 -3.3726 -3.3726 -3.3713 -3.3713 -2.8331 -2.8331 -2.8327 -2.8327 0.8557 0.8557 0.8686 0.8686 1.4016 1.4016 1.4179 1.4179 2.1339 2.1339 2.1380 2.1380 2.9366 2.9366 2.9422 2.9422 4.0064 4.0064 4.0075 4.0075 4.9080 4.9080 4.9109 4.9109 8.7712 8.7712 8.7770 8.7770 10.0176 10.0176 10.0295 10.0295 k = 0.4545 0.4242-0.0000 ( 4712 PWs) bands (ev): -7.7314 -7.7314 -7.7294 -7.7294 -7.3036 -7.3036 -7.3010 -7.3010 -3.3861 -3.3861 -3.3845 -3.3845 -2.7761 -2.7761 -2.7757 -2.7757 0.7812 0.7812 0.7943 0.7943 1.4751 1.4751 1.4925 1.4925 2.1175 2.1175 2.1234 2.1234 2.9082 2.9082 2.9158 2.9158 4.0579 4.0579 4.0594 4.0594 4.9346 4.9346 4.9384 4.9384 8.7430 8.7430 8.7503 8.7503 10.0424 10.0424 10.0580 10.0580 k = 0.4432 0.4242-0.0000 ( 4708 PWs) bands (ev): -7.7913 -7.7913 -7.7894 -7.7894 -7.2653 -7.2653 -7.2627 -7.2627 -3.3971 -3.3971 -3.3953 -3.3953 -2.7092 -2.7092 -2.7088 -2.7088 0.7065 0.7065 0.7195 0.7195 1.5472 1.5472 1.5652 1.5652 2.0975 2.0975 2.1054 2.1054 2.8782 2.8782 2.8880 2.8880 4.1192 4.1192 4.1211 4.1211 4.9683 4.9683 4.9731 4.9731 8.7094 8.7094 8.7179 8.7179 10.0719 10.0719 10.0911 10.0911 k = 0.4318 0.4242-0.0000 ( 4712 PWs) bands (ev): -7.8522 -7.8522 -7.8504 -7.8504 -7.2308 -7.2308 -7.2280 -7.2280 -3.4038 -3.4038 -3.4018 -3.4018 -2.6344 -2.6344 -2.6341 -2.6341 0.6327 0.6327 0.6456 0.6456 1.6151 1.6151 1.6332 1.6332 2.0746 2.0746 2.0851 2.0851 2.8501 2.8501 2.8622 2.8622 4.1880 4.1880 4.1903 4.1903 5.0089 5.0089 5.0146 5.0146 8.6716 8.6716 8.6811 8.6811 10.1045 10.1045 10.1269 10.1269 k = 0.4205 0.4242-0.0000 ( 4708 PWs) bands (ev): -7.9139 -7.9139 -7.9121 -7.9121 -7.2002 -7.2002 -7.1974 -7.1974 -3.4050 -3.4050 -3.4029 -3.4029 -2.5530 -2.5530 -2.5529 -2.5529 0.5607 0.5607 0.5733 0.5733 1.6758 1.6758 1.6933 1.6933 2.0496 2.0496 2.0637 2.0637 2.8270 2.8270 2.8415 2.8415 4.2626 4.2626 4.2653 4.2653 5.0560 5.0560 5.0626 5.0626 8.6306 8.6306 8.6408 8.6408 10.1384 10.1384 10.1639 10.1639 k = 0.4091 0.4242-0.0000 ( 4704 PWs) bands (ev): -7.9758 -7.9758 -7.9741 -7.9741 -7.1739 -7.1739 -7.1710 -7.1710 -3.4002 -3.4002 -3.3980 -3.3980 -2.4662 -2.4662 -2.4662 -2.4662 0.4907 0.4907 0.5031 0.5031 1.7263 1.7263 1.7416 1.7416 2.0240 2.0240 2.0428 2.0428 2.8123 2.8123 2.8292 2.8292 4.3414 4.3414 4.3447 4.3447 5.1091 5.1091 5.1166 5.1166 8.5875 8.5875 8.5982 8.5982 10.1718 10.1718 10.2003 10.2003 k = 0.3977 0.4242-0.0000 ( 4698 PWs) bands (ev): -8.0379 -8.0379 -8.0363 -8.0363 -7.1519 -7.1519 -7.1490 -7.1490 -3.3889 -3.3889 -3.3866 -3.3866 -2.3747 -2.3747 -2.3745 -2.3745 0.4232 0.4232 0.4355 0.4355 1.7628 1.7628 1.7740 1.7740 1.9995 1.9995 2.0246 2.0246 2.8093 2.8093 2.8281 2.8281 4.4234 4.4234 4.4272 4.4272 5.1679 5.1679 5.1762 5.1762 8.5431 8.5431 8.5541 8.5541 10.2032 10.2032 10.2346 10.2346 k = 0.3864 0.4242-0.0000 ( 4694 PWs) bands (ev): -8.0998 -8.0998 -8.0982 -8.0982 -7.1343 -7.1343 -7.1314 -7.1314 -3.3709 -3.3709 -3.3685 -3.3685 -2.2791 -2.2791 -2.2787 -2.2787 0.3586 0.3586 0.3706 0.3706 1.7820 1.7820 1.7878 1.7878 1.9781 1.9781 2.0101 2.0101 2.8204 2.8204 2.8405 2.8405 4.5075 4.5075 4.5119 4.5119 5.2319 5.2319 5.2411 5.2411 8.4980 8.4980 8.5091 8.5091 10.2311 10.2311 10.2652 10.2652 k = 0.3750 0.4242-0.0000 ( 4694 PWs) bands (ev): -8.1613 -8.1613 -8.1598 -8.1598 -7.1210 -7.1210 -7.1182 -7.1182 -3.3463 -3.3463 -3.3439 -3.3439 -2.1799 -2.1799 -2.1794 -2.1794 0.2971 0.2971 0.3089 0.3089 1.7827 1.7827 1.7836 1.7836 1.9606 1.9606 1.9982 1.9982 2.8470 2.8470 2.8677 2.8677 4.5928 4.5928 4.5980 4.5980 5.3009 5.3009 5.3109 5.3109 8.4528 8.4528 8.4639 8.4639 10.2541 10.2541 10.2908 10.2908 k = 0.3636 0.4242-0.0000 ( 4694 PWs) bands (ev): -8.2223 -8.2223 -8.2208 -8.2208 -7.1120 -7.1120 -7.1091 -7.1091 -3.3153 -3.3153 -3.3128 -3.3128 -2.0776 -2.0776 -2.0769 -2.0769 0.2390 0.2390 0.2507 0.2507 1.7654 1.7654 1.7674 1.7674 1.9453 1.9453 1.9857 1.9857 2.8888 2.8888 2.9093 2.9093 4.6787 4.6787 4.6848 4.6848 5.3744 5.3744 5.3853 5.3853 8.4080 8.4080 8.4189 8.4189 10.2712 10.2712 10.3104 10.3104 k = 0.3523 0.4242-0.0000 ( 4702 PWs) bands (ev): -8.2825 -8.2825 -8.2811 -8.2811 -7.1070 -7.1070 -7.1042 -7.1042 -3.2782 -3.2782 -3.2756 -3.2756 -1.9727 -1.9727 -1.9719 -1.9719 0.1846 0.1846 0.1961 0.1961 1.7381 1.7381 1.7413 1.7413 1.9293 1.9293 1.9700 1.9700 2.9441 2.9441 2.9638 2.9638 4.7646 4.7646 4.7715 4.7715 5.4523 5.4523 5.4639 5.4639 8.3639 8.3639 8.3745 8.3745 10.2810 10.2810 10.3230 10.3230 k = 0.3409 0.4242-0.0000 ( 4714 PWs) bands (ev): -8.3418 -8.3418 -8.3405 -8.3405 -7.1058 -7.1058 -7.1031 -7.1031 -3.2353 -3.2353 -3.2328 -3.2328 -1.8656 -1.8656 -1.8646 -1.8646 0.1342 0.1342 0.1456 0.1456 1.7053 1.7053 1.7086 1.7086 1.9108 1.9108 1.9506 1.9506 3.0104 3.0104 3.0290 3.0290 4.8499 4.8499 4.8577 4.8577 5.5340 5.5340 5.5464 5.5464 8.3208 8.3208 8.3310 8.3310 10.2823 10.2823 10.3276 10.3276 k = 0.3295 0.4242-0.0000 ( 4702 PWs) bands (ev): -8.4001 -8.4001 -8.3989 -8.3989 -7.1082 -7.1082 -7.1055 -7.1055 -3.1873 -3.1873 -3.1848 -3.1848 -1.7568 -1.7568 -1.7556 -1.7556 0.0881 0.0881 0.0993 0.0993 1.6692 1.6692 1.6722 1.6722 1.8899 1.8899 1.9281 1.9281 3.0851 3.0851 3.1025 3.1025 4.9341 4.9341 4.9429 4.9429 5.6194 5.6194 5.6325 5.6325 8.2791 8.2791 8.2886 8.2886 10.2725 10.2725 10.3224 10.3224 k = 0.3182 0.4242-0.0000 ( 4706 PWs) bands (ev): -8.4573 -8.4573 -8.4561 -8.4561 -7.1138 -7.1138 -7.1111 -7.1111 -3.1348 -3.1348 -3.1323 -3.1323 -1.6467 -1.6467 -1.6453 -1.6453 0.0467 0.0467 0.0578 0.0578 1.6313 1.6313 1.6338 1.6338 1.8674 1.8674 1.9038 1.9038 3.1658 3.1658 3.1821 3.1821 5.0168 5.0168 5.0266 5.0266 5.7081 5.7081 5.7218 5.7218 8.2388 8.2388 8.2475 8.2475 10.2459 10.2459 10.3028 10.3028 k = 0.3068 0.4242-0.0000 ( 4706 PWs) bands (ev): -8.5132 -8.5132 -8.5121 -8.5121 -7.1223 -7.1223 -7.1197 -7.1197 -3.0785 -3.0785 -3.0760 -3.0760 -1.5359 -1.5359 -1.5343 -1.5343 0.0103 0.0103 0.0213 0.0213 1.5924 1.5924 1.5943 1.5943 1.8443 1.8443 1.8791 1.8791 3.2506 3.2506 3.2658 3.2658 5.0976 5.0976 5.1085 5.1085 5.7997 5.7997 5.8139 5.8139 8.2000 8.2000 8.2078 8.2078 10.1897 10.1897 10.2551 10.2551 k = 0.2955 0.4242-0.0000 ( 4714 PWs) bands (ev): -8.5677 -8.5677 -8.5666 -8.5666 -7.1333 -7.1333 -7.1308 -7.1308 -3.0191 -3.0191 -3.0166 -3.0166 -1.4248 -1.4248 -1.4230 -1.4230 -0.0207 -0.0207 -0.0098 -0.0098 1.5533 1.5533 1.5545 1.5545 1.8219 1.8219 1.8551 1.8551 3.3377 3.3377 3.3522 3.3522 5.1764 5.1764 5.1883 5.1883 5.8938 5.8938 5.9085 5.9085 8.1630 8.1630 8.1697 8.1697 10.0858 10.0858 10.1515 10.1515 k = 0.2841 0.4242-0.0000 ( 4710 PWs) bands (ev): -8.6207 -8.6207 -8.6197 -8.6197 -7.1465 -7.1465 -7.1441 -7.1441 -2.9574 -2.9574 -2.9550 -2.9550 -1.3140 -1.3140 -1.3120 -1.3120 -0.0458 -0.0458 -0.0350 -0.0350 1.5142 1.5142 1.5148 1.5148 1.8013 1.8013 1.8329 1.8329 3.4260 3.4260 3.4397 3.4397 5.2528 5.2528 5.2658 5.2658 5.9900 5.9900 6.0051 6.0051 8.1278 8.1278 8.1331 8.1331 9.9338 9.9338 9.9888 9.9888 k = 0.2727 0.4242-0.0000 ( 4710 PWs) bands (ev): -8.6722 -8.6722 -8.6712 -8.6712 -7.1616 -7.1616 -7.1593 -7.1593 -2.8943 -2.8943 -2.8920 -2.8920 -1.2041 -1.2041 -1.2019 -1.2019 -0.0647 -0.0647 -0.0539 -0.0539 1.4755 1.4755 1.4757 1.4757 1.7833 1.7833 1.8136 1.8136 3.5141 3.5141 3.5272 3.5272 5.3267 5.3267 5.3407 5.3407 6.0877 6.0877 6.1032 6.1032 8.0943 8.0943 8.0980 8.0980 9.7532 9.7532 9.7976 9.7976 k = 0.2614 0.4242-0.0000 ( 4696 PWs) bands (ev): -8.7220 -8.7220 -8.7211 -8.7211 -7.1783 -7.1783 -7.1760 -7.1760 -2.8307 -2.8307 -2.8284 -2.8284 -1.0958 -1.0958 -1.0933 -1.0933 -0.0768 -0.0768 -0.0661 -0.0661 1.4370 1.4370 1.4378 1.4378 1.7690 1.7690 1.7981 1.7981 3.6011 3.6011 3.6138 3.6138 5.3979 5.3979 5.4130 5.4130 6.1864 6.1864 6.2022 6.2022 8.0627 8.0627 8.0646 8.0646 9.5597 9.5597 9.5964 9.5964 k = 0.2500 0.4242-0.0000 ( 4690 PWs) bands (ev): -8.7701 -8.7701 -8.7692 -8.7692 -7.1961 -7.1961 -7.1940 -7.1940 -2.7674 -2.7674 -2.7652 -2.7652 -0.9899 -0.9899 -0.9871 -0.9871 -0.0818 -0.0818 -0.0710 -0.0710 1.3995 1.3995 1.4010 1.4010 1.7591 1.7591 1.7870 1.7870 3.6860 3.6860 3.6983 3.6983 5.4662 5.4662 5.4823 5.4823 6.2855 6.2855 6.3014 6.3014 8.0326 8.0326 8.0328 8.0328 9.3617 9.3617 9.3927 9.3927 k = 0.2386 0.4242-0.0000 ( 4694 PWs) bands (ev): -8.8164 -8.8164 -8.8156 -8.8156 -7.2149 -7.2149 -7.2129 -7.2129 -2.7053 -2.7053 -2.7032 -2.7032 -0.8870 -0.8870 -0.8840 -0.8840 -0.0791 -0.0791 -0.0683 -0.0683 1.3631 1.3631 1.3652 1.3652 1.7545 1.7545 1.7813 1.7813 3.7680 3.7680 3.7800 3.7800 5.5314 5.5314 5.5484 5.5484 6.3842 6.3842 6.4003 6.4003 8.0021 8.0021 8.0048 8.0048 9.1637 9.1637 9.1904 9.1904 k = 0.2273 0.4242-0.0000 ( 4682 PWs) bands (ev): -8.8609 -8.8609 -8.8602 -8.8602 -7.2343 -7.2343 -7.2324 -7.2324 -2.6451 -2.6451 -2.6432 -2.6432 -0.7880 -0.7880 -0.7849 -0.7849 -0.0683 -0.0683 -0.0575 -0.0575 1.3280 1.3280 1.3308 1.3308 1.7558 1.7558 1.7816 1.7816 3.8463 3.8463 3.8579 3.8579 5.5932 5.5932 5.6110 5.6110 6.4818 6.4818 6.4979 6.4979 7.9731 7.9731 7.9784 7.9784 8.9688 8.9688 8.9919 8.9919 k = 0.2159 0.4242-0.0000 ( 4676 PWs) bands (ev): -8.9035 -8.9035 -8.9028 -8.9028 -7.2541 -7.2541 -7.2522 -7.2522 -2.5878 -2.5878 -2.5859 -2.5859 -0.6938 -0.6938 -0.6905 -0.6905 -0.0492 -0.0492 -0.0384 -0.0384 1.2944 1.2944 1.2979 1.2979 1.7638 1.7638 1.7886 1.7886 3.9200 3.9200 3.9312 3.9312 5.6512 5.6512 5.6697 5.6697 6.5773 6.5773 6.5934 6.5934 7.9454 7.9454 7.9538 7.9538 8.7793 8.7793 8.7993 8.7993 k = 0.2045 0.4242-0.0000 ( 4688 PWs) bands (ev): -8.9442 -8.9442 -8.9435 -8.9435 -7.2740 -7.2740 -7.2723 -7.2723 -2.5338 -2.5338 -2.5321 -2.5321 -0.6052 -0.6052 -0.6017 -0.6017 -0.0215 -0.0215 -0.0107 -0.0107 1.2624 1.2624 1.2667 1.2667 1.7790 1.7790 1.8028 1.8028 3.9884 3.9884 3.9992 3.9992 5.7048 5.7048 5.7238 5.7238 6.6697 6.6697 6.6858 6.6858 7.9190 7.9190 7.9309 7.9309 8.5975 8.5975 8.6147 8.6147 k = 0.1932 0.4242-0.0000 ( 4678 PWs) bands (ev): -8.9829 -8.9829 -8.9822 -8.9822 -7.2939 -7.2939 -7.2923 -7.2923 -2.4838 -2.4838 -2.4821 -2.4821 -0.5229 -0.5229 -0.5192 -0.5192 0.0147 0.0147 0.0256 0.0256 1.2322 1.2322 1.2372 1.2372 1.8019 1.8019 1.8248 1.8248 4.0508 4.0508 4.0611 4.0611 5.7533 5.7533 5.7724 5.7724 6.7578 6.7578 6.7738 6.7738 7.8940 7.8940 7.9097 7.9097 8.4256 8.4256 8.4400 8.4400 k = 0.1818 0.4242-0.0000 ( 4676 PWs) bands (ev): -9.0195 -9.0195 -9.0189 -9.0189 -7.3135 -7.3135 -7.3120 -7.3120 -2.4381 -2.4381 -2.4365 -2.4365 -0.4474 -0.4474 -0.4436 -0.4436 0.0591 0.0591 0.0701 0.0701 1.2040 1.2040 1.2097 1.2097 1.8327 1.8327 1.8546 1.8546 4.1064 4.1064 4.1161 4.1161 5.7957 5.7957 5.8146 5.8146 6.8403 6.8403 6.8561 6.8561 7.8702 7.8702 7.8901 7.8901 8.2659 8.2659 8.2774 8.2774 k = 0.1705 0.4242-0.0000 ( 4680 PWs) bands (ev): -9.0541 -9.0541 -9.0536 -9.0536 -7.3327 -7.3327 -7.3312 -7.3312 -2.3970 -2.3970 -2.3955 -2.3955 -0.3791 -0.3791 -0.3753 -0.3753 0.1111 0.1111 0.1222 0.1222 1.1780 1.1780 1.1844 1.1844 1.8716 1.8716 1.8925 1.8925 4.1546 4.1546 4.1635 4.1635 5.8307 5.8307 5.8488 5.8488 6.9156 6.9156 6.9311 6.9311 7.8469 7.8469 7.8718 7.8718 8.1215 8.1215 8.1294 8.1294 k = 0.1591 0.4242-0.0000 ( 4680 PWs) bands (ev): -9.0866 -9.0866 -9.0861 -9.0861 -7.3513 -7.3513 -7.3499 -7.3499 -2.3604 -2.3604 -2.3590 -2.3590 -0.3181 -0.3181 -0.3142 -0.3142 0.1697 0.1697 0.1811 0.1811 1.1543 1.1543 1.1616 1.1616 1.9182 1.9182 1.9381 1.9381 4.1948 4.1948 4.2028 4.2028 5.8569 5.8569 5.8737 5.8737 6.9825 6.9825 6.9974 6.9974 7.8213 7.8213 7.8524 7.8524 7.9975 7.9975 8.0006 8.0006 k = 0.1477 0.4242-0.0000 ( 4676 PWs) bands (ev): -9.1170 -9.1170 -9.1165 -9.1165 -7.3691 -7.3691 -7.3678 -7.3678 -2.3284 -2.3284 -2.3271 -2.3271 -0.2641 -0.2641 -0.2604 -0.2604 0.2338 0.2338 0.2456 0.2456 1.1334 1.1334 1.1415 1.1415 1.9721 1.9721 1.9910 1.9910 4.2264 4.2264 4.2334 4.2334 5.8731 5.8731 5.8879 5.8879 7.0396 7.0396 7.0534 7.0534 7.7811 7.7811 7.8172 7.8172 7.9072 7.9072 7.9079 7.9079 k = 0.1364 0.4242-0.0000 ( 4672 PWs) bands (ev): -9.1452 -9.1452 -9.1448 -9.1448 -7.3860 -7.3860 -7.3849 -7.3849 -2.3007 -2.3007 -2.2995 -2.2995 -0.2170 -0.2170 -0.2134 -0.2134 0.3018 0.3018 0.3140 0.3140 1.1156 1.1156 1.1246 1.1246 2.0325 2.0325 2.0503 2.0503 4.2490 4.2490 4.2550 4.2550 5.8783 5.8783 5.8905 5.8905 7.0866 7.0866 7.0984 7.0984 7.7118 7.7118 7.7427 7.7427 7.8677 7.8677 7.8734 7.8734 k = 0.1250 0.4242-0.0000 ( 4672 PWs) bands (ev): -9.1712 -9.1712 -9.1708 -9.1708 -7.4020 -7.4020 -7.4010 -7.4010 -2.2771 -2.2771 -2.2760 -2.2760 -0.1762 -0.1762 -0.1729 -0.1729 0.3720 0.3720 0.3847 0.3847 1.1015 1.1015 1.1114 1.1114 2.0982 2.0982 2.1149 2.1149 4.2623 4.2623 4.2671 4.2671 5.8723 5.8723 5.8814 5.8814 7.1239 7.1239 7.1325 7.1325 7.6312 7.6312 7.6599 7.6599 7.8578 7.8578 7.8670 7.8670 k = 0.1136 0.4242-0.0000 ( 4670 PWs) bands (ev): -9.1951 -9.1951 -9.1947 -9.1947 -7.4169 -7.4169 -7.4160 -7.4160 -2.2572 -2.2572 -2.2562 -2.2562 -0.1413 -0.1413 -0.1383 -0.1383 0.4424 0.4424 0.4556 0.4556 1.0919 1.0919 1.1027 1.1027 2.1678 2.1678 2.1834 2.1834 4.2664 4.2664 4.2700 4.2700 5.8559 5.8559 5.8617 5.8617 7.1526 7.1526 7.1561 7.1561 7.5541 7.5541 7.5852 7.5852 7.8611 7.8611 7.8698 7.8698 k = 0.1023 0.4242-0.0000 ( 4670 PWs) bands (ev): -9.2167 -9.2167 -9.2164 -9.2164 -7.4306 -7.4306 -7.4298 -7.4298 -2.2406 -2.2406 -2.2396 -2.2396 -0.1119 -0.1119 -0.1092 -0.1092 0.5105 0.5105 0.5242 0.5242 1.0878 1.0878 1.0993 1.0993 2.2398 2.2398 2.2541 2.2541 4.2614 4.2614 4.2639 4.2639 5.8310 5.8310 5.8336 5.8336 7.1695 7.1695 7.1727 7.1727 7.4848 7.4848 7.5210 7.5210 7.8711 7.8711 7.8774 7.8774 k = 0.0909 0.4242-0.0000 ( 4670 PWs) bands (ev): -9.2361 -9.2361 -9.2358 -9.2358 -7.4431 -7.4431 -7.4423 -7.4423 -2.2269 -2.2269 -2.2261 -2.2261 -0.0873 -0.0873 -0.0850 -0.0850 0.5738 0.5738 0.5877 0.5877 1.0902 1.0902 1.1023 1.1023 2.3123 2.3123 2.3253 2.3253 4.2481 4.2481 4.2495 4.2495 5.8000 5.8000 5.8002 5.8002 7.1707 7.1707 7.1814 7.1814 7.4279 7.4279 7.4695 7.4695 7.8845 7.8845 7.8874 7.8874 k = 0.0795 0.4242-0.0000 ( 4668 PWs) bands (ev): -9.2532 -9.2532 -9.2530 -9.2530 -7.4542 -7.4542 -7.4536 -7.4536 -2.2158 -2.2158 -2.2151 -2.2151 -0.0671 -0.0671 -0.0651 -0.0651 0.6295 0.6295 0.6432 0.6432 1.1005 1.1005 1.1126 1.1126 2.3833 2.3833 2.3951 2.3951 4.2276 4.2276 4.2282 4.2282 5.7640 5.7640 5.7664 5.7664 7.1568 7.1568 7.1719 7.1719 7.3912 7.3912 7.4348 7.4348 7.8984 7.8984 7.8986 7.8986 k = 0.0682 0.4242-0.0000 ( 4668 PWs) bands (ev): -9.2681 -9.2681 -9.2679 -9.2679 -7.4640 -7.4640 -7.4634 -7.4634 -2.2069 -2.2069 -2.2063 -2.2063 -0.0507 -0.0507 -0.0490 -0.0490 0.6755 0.6755 0.6883 0.6883 1.1189 1.1189 1.1303 1.1303 2.4510 2.4510 2.4613 2.4613 4.2017 4.2017 4.2019 4.2019 5.7286 5.7286 5.7324 5.7324 7.1275 7.1275 7.1413 7.1413 7.3786 7.3786 7.4180 7.4180 7.9092 7.9092 7.9121 7.9121 k = 0.0568 0.4242-0.0000 ( 4672 PWs) bands (ev): -9.2807 -9.2807 -9.2805 -9.2805 -7.4723 -7.4723 -7.4718 -7.4718 -2.1999 -2.1999 -2.1994 -2.1994 -0.0377 -0.0377 -0.0363 -0.0363 0.7109 0.7109 0.7221 0.7221 1.1443 1.1443 1.1542 1.1542 2.5131 2.5131 2.5219 2.5219 4.1725 4.1725 4.1731 4.1731 5.6959 5.6959 5.7005 5.7005 7.0881 7.0881 7.0979 7.0979 7.3831 7.3831 7.4149 7.4149 7.9194 7.9194 7.9240 7.9240 k = 0.0455 0.4242-0.0000 ( 4676 PWs) bands (ev): -9.2910 -9.2910 -9.2909 -9.2909 -7.4792 -7.4792 -7.4788 -7.4788 -2.1945 -2.1945 -2.1941 -2.1941 -0.0276 -0.0276 -0.0265 -0.0265 0.7364 0.7364 0.7455 0.7455 1.1734 1.1734 1.1815 1.1815 2.5676 2.5676 2.5748 2.5748 4.1432 4.1432 4.1440 4.1440 5.6677 5.6677 5.6723 5.6723 7.0463 7.0463 7.0525 7.0525 7.3948 7.3948 7.4190 7.4190 7.9286 7.9286 7.9339 7.9339 k = 0.0341 0.4242-0.0000 ( 4676 PWs) bands (ev): -9.2991 -9.2991 -9.2990 -9.2990 -7.4845 -7.4845 -7.4843 -7.4843 -2.1906 -2.1906 -2.1903 -2.1903 -0.0200 -0.0200 -0.0192 -0.0192 0.7537 0.7537 0.7605 0.7605 1.2021 1.2021 1.2081 1.2081 2.6126 2.6126 2.6182 2.6182 4.1165 4.1165 4.1173 4.1173 5.6451 5.6451 5.6492 5.6492 7.0085 7.0085 7.0121 7.0121 7.4080 7.4080 7.4254 7.4254 7.9366 7.9366 7.9416 7.9416 k = 0.0227 0.4242-0.0000 ( 4664 PWs) bands (ev): -9.3048 -9.3048 -9.3047 -9.3047 -7.4884 -7.4884 -7.4882 -7.4882 -2.1879 -2.1879 -2.1876 -2.1876 -0.0148 -0.0148 -0.0143 -0.0143 0.7648 0.7648 0.7692 0.7692 1.2263 1.2263 1.2302 1.2302 2.6464 2.6464 2.6502 2.6502 4.0953 4.0953 4.0959 4.0959 5.6289 5.6289 5.6319 5.6319 6.9790 6.9790 6.9809 6.9809 7.4196 7.4196 7.4308 7.4308 7.9430 7.9430 7.9469 7.9469 k = 0.0114 0.4242-0.0000 ( 4664 PWs) bands (ev): -9.3083 -9.3083 -9.3082 -9.3082 -7.4906 -7.4906 -7.4906 -7.4906 -2.1863 -2.1863 -2.1862 -2.1862 -0.0117 -0.0117 -0.0114 -0.0114 0.7712 0.7712 0.7734 0.7734 1.2426 1.2426 1.2445 1.2445 2.6677 2.6677 2.6696 2.6696 4.0816 4.0816 4.0820 4.0820 5.6193 5.6193 5.6209 5.6209 6.9603 6.9603 6.9612 6.9612 7.4281 7.4281 7.4336 7.4336 7.9476 7.9476 7.9497 7.9497 k = 0.0000 0.4242-0.0000 ( 4668 PWs) bands (ev): -9.3094 -9.3094 -9.3094 -9.3094 -7.4914 -7.4914 -7.4914 -7.4914 -2.1857 -2.1857 -2.1857 -2.1857 -0.0106 -0.0106 -0.0106 -0.0106 0.7740 0.7740 0.7740 0.7740 1.2489 1.2489 1.2489 1.2489 2.6755 2.6755 2.6755 2.6755 4.0770 4.0770 4.0770 4.0770 5.6167 5.6167 5.6167 5.6167 6.9542 6.9542 6.9542 6.9542 7.4328 7.4328 7.4328 7.4328 7.9499 7.9499 7.9499 7.9499 k = 0.0000 0.4242-0.0000 ( 4668 PWs) bands (ev): -9.3094 -9.3094 -9.3094 -9.3094 -7.4914 -7.4914 -7.4914 -7.4914 -2.1857 -2.1857 -2.1857 -2.1857 -0.0106 -0.0106 -0.0106 -0.0106 0.7740 0.7740 0.7740 0.7740 1.2489 1.2489 1.2489 1.2489 2.6755 2.6755 2.6755 2.6755 4.0770 4.0770 4.0770 4.0770 5.6167 5.6167 5.6167 5.6167 6.9542 6.9542 6.9542 6.9542 7.4328 7.4328 7.4328 7.4328 7.9499 7.9499 7.9499 7.9499 k = 0.0000 0.4128-0.0000 ( 4670 PWs) bands (ev): -9.3187 -9.3187 -9.3008 -9.3008 -7.5079 -7.5079 -7.4753 -7.4753 -2.1882 -2.1882 -2.1796 -2.1796 -0.0328 -0.0328 0.0152 0.0152 0.7250 0.7250 0.8230 0.8230 1.2411 1.2411 1.2560 1.2560 2.6638 2.6638 2.6867 2.6867 4.0547 4.0547 4.0981 4.0981 5.5657 5.5657 5.6660 5.6660 6.9322 6.9322 6.9642 6.9642 7.4168 7.4168 7.4513 7.4513 7.9519 7.9519 7.9559 7.9559 k = 0.0000 0.4013-0.0000 ( 4666 PWs) bands (ev): -9.3286 -9.3286 -9.2930 -9.2930 -7.5248 -7.5248 -7.4598 -7.4598 -2.1870 -2.1870 -2.1700 -2.1700 -0.0514 -0.0514 0.0445 0.0445 0.6760 0.6760 0.8719 0.8719 1.2328 1.2328 1.2626 1.2626 2.6517 2.6517 2.6974 2.6974 4.0312 4.0312 4.1180 4.1180 5.5135 5.5135 5.7131 5.7131 6.9000 6.9000 6.9611 6.9611 7.4045 7.4045 7.4710 7.4710 7.9616 7.9616 7.9697 7.9697 k = 0.0000 0.3898-0.0000 ( 4672 PWs) bands (ev): -9.3392 -9.3392 -9.2858 -9.2858 -7.5421 -7.5421 -7.4448 -7.4448 -2.1823 -2.1823 -2.1569 -2.1569 -0.0665 -0.0665 0.0773 0.0773 0.6273 0.6273 0.9206 0.9206 1.2239 1.2239 1.2686 1.2686 2.6392 2.6392 2.7076 2.7076 4.0066 4.0066 4.1366 4.1366 5.4605 5.4605 5.7576 5.7576 6.8597 6.8597 6.9447 6.9447 7.3963 7.3963 7.4907 7.4907 7.9785 7.9785 7.9905 7.9905 k = 0.0000 0.3784-0.0000 ( 4672 PWs) bands (ev): -9.3505 -9.3505 -9.2795 -9.2795 -7.5598 -7.5598 -7.4303 -7.4303 -2.1740 -2.1740 -2.1403 -2.1403 -0.0780 -0.0780 0.1135 0.1135 0.5790 0.5790 0.9690 0.9690 1.2146 1.2146 1.2740 1.2740 2.6263 2.6263 2.7173 2.7173 3.9810 3.9810 4.1539 4.1539 5.4068 5.4068 5.7986 5.7986 6.8134 6.8134 6.9161 6.9161 7.3917 7.3917 7.5100 7.5100 8.0015 8.0015 8.0173 8.0173 k = 0.0000 0.3669-0.0000 ( 4672 PWs) bands (ev): -9.3622 -9.3622 -9.2739 -9.2739 -7.5777 -7.5777 -7.4165 -7.4165 -2.1621 -2.1621 -2.1203 -2.1203 -0.0861 -0.0861 0.1532 0.1532 0.5311 0.5311 1.0168 1.0168 1.2048 1.2048 1.2787 1.2787 2.6131 2.6131 2.7264 2.7264 3.9544 3.9544 4.1699 4.1699 5.3527 5.3527 5.8352 5.8352 6.7629 6.7629 6.8773 6.8773 7.3898 7.3898 7.5285 7.5285 8.0296 8.0296 8.0489 8.0489 k = 0.0000 0.3554-0.0000 ( 4664 PWs) bands (ev): -9.3745 -9.3745 -9.2691 -9.2691 -7.5958 -7.5958 -7.4033 -7.4033 -2.1467 -2.1467 -2.0971 -2.0971 -0.0907 -0.0907 0.1961 0.1961 0.4837 0.4837 1.0640 1.0640 1.1946 1.1946 1.2829 1.2829 2.5996 2.5996 2.7350 2.7350 3.9269 3.9269 4.1846 4.1846 5.2986 5.2986 5.8661 5.8661 6.7105 6.7105 6.8301 6.8301 7.3894 7.3894 7.5462 7.5462 8.0616 8.0616 8.0839 8.0839 k = 0.0000 0.3440-0.0000 ( 4662 PWs) bands (ev): -9.3872 -9.3872 -9.2650 -9.2650 -7.6141 -7.6141 -7.3906 -7.3906 -2.1278 -2.1278 -2.0706 -2.0706 -0.0919 -0.0919 0.2422 0.2422 0.4371 0.4371 1.1102 1.1102 1.1842 1.1842 1.2864 1.2864 2.5858 2.5858 2.7429 2.7429 3.8987 3.8987 4.1981 4.1981 5.2445 5.2445 5.8897 5.8897 6.6582 6.6582 6.7766 6.7766 7.3892 7.3892 7.5631 7.5631 8.0964 8.0964 8.1210 8.1210 k = 0.0000 0.3325-0.0000 ( 4670 PWs) bands (ev): -9.4003 -9.4003 -9.2617 -9.2617 -7.6325 -7.6325 -7.3787 -7.3787 -2.1056 -2.1056 -2.0411 -2.0411 -0.0899 -0.0899 0.2907 0.2907 0.3920 0.3920 1.1541 1.1541 1.1750 1.1750 1.2893 1.2893 2.5718 2.5718 2.7504 2.7504 3.8698 3.8698 4.2104 4.2104 5.1907 5.1907 5.9040 5.9040 6.6087 6.6087 6.7179 6.7179 7.3887 7.3887 7.5791 7.5791 8.1329 8.1329 8.1592 8.1592 k = 0.0000 0.3210-0.0000 ( 4670 PWs) bands (ev): -9.4138 -9.4138 -9.2590 -9.2590 -7.6510 -7.6510 -7.3674 -7.3674 -2.0801 -2.0801 -2.0086 -2.0086 -0.0846 -0.0846 0.3294 0.3294 0.3605 0.3605 1.1602 1.1602 1.2023 1.2023 1.2918 1.2918 2.5577 2.5577 2.7572 2.7572 3.8403 3.8403 4.2216 4.2216 5.1374 5.1374 5.9064 5.9064 6.5647 6.5647 6.6552 6.6552 7.3870 7.3870 7.5941 7.5941 8.1701 8.1701 8.1975 8.1975 k = 0.0000 0.3096-0.0000 ( 4676 PWs) bands (ev): -9.4275 -9.4275 -9.2571 -9.2571 -7.6695 -7.6695 -7.3567 -7.3567 -2.0514 -2.0514 -1.9733 -1.9733 -0.0764 -0.0764 0.2969 0.2969 0.4041 0.4041 1.1493 1.1493 1.2450 1.2450 1.2938 1.2938 2.5435 2.5435 2.7635 2.7635 3.8103 3.8103 4.2317 4.2317 5.0847 5.0847 5.8948 5.8948 6.5288 6.5288 6.5894 6.5894 7.3838 7.3838 7.6080 7.6080 8.2069 8.2069 8.2349 8.2349 k = 0.0000 0.2981-0.0000 ( 4668 PWs) bands (ev): -9.4414 -9.4414 -9.2558 -9.2558 -7.6880 -7.6880 -7.3467 -7.3467 -2.0196 -2.0196 -1.9353 -1.9353 -0.0652 -0.0652 0.2541 0.2541 0.4618 0.4618 1.1377 1.1377 1.2848 1.2848 1.2974 1.2974 2.5293 2.5293 2.7692 2.7692 3.7800 3.7800 4.2408 4.2408 5.0328 5.0328 5.8676 5.8676 6.5023 6.5023 6.5214 6.5214 7.3786 7.3786 7.6204 7.6204 8.2419 8.2419 8.2705 8.2705 k = 0.0000 0.2867-0.0000 ( 4670 PWs) bands (ev): -9.4555 -9.4555 -9.2552 -9.2552 -7.7063 -7.7063 -7.3374 -7.3374 -1.9849 -1.9849 -1.8949 -1.8949 -0.0514 -0.0514 0.2114 0.2114 0.5232 0.5232 1.1259 1.1259 1.2943 1.2943 1.3296 1.3296 2.5150 2.5150 2.7744 2.7744 3.7494 3.7494 4.2490 4.2490 4.9818 4.9818 5.8248 5.8248 6.4498 6.4498 6.4871 6.4871 7.3712 7.3712 7.6311 7.6311 8.2739 8.2739 8.3032 8.3032 k = 0.0000 0.2752-0.0000 ( 4672 PWs) bands (ev): -9.4696 -9.4696 -9.2551 -9.2551 -7.7244 -7.7244 -7.3287 -7.3287 -1.9475 -1.9475 -1.8522 -1.8522 -0.0350 -0.0350 0.1696 0.1696 0.5874 0.5874 1.1140 1.1140 1.2949 1.2949 1.3686 1.3686 2.5009 2.5009 2.7791 2.7791 3.7187 3.7187 4.2563 4.2563 4.9319 4.9319 5.7682 5.7682 6.3776 6.3776 6.4793 6.4793 7.3613 7.3613 7.6396 7.6396 8.3012 8.3012 8.3318 8.3318 k = 0.0000 0.2637-0.0000 ( 4666 PWs) bands (ev): -9.4838 -9.4838 -9.2555 -9.2555 -7.7423 -7.7423 -7.3206 -7.3206 -1.9075 -1.9075 -1.8073 -1.8073 -0.0165 -0.0165 0.1289 0.1289 0.6543 0.6543 1.1021 1.1021 1.2948 1.2948 1.4064 1.4064 2.4868 2.4868 2.7833 2.7833 3.6879 3.6879 4.2629 4.2629 4.8833 4.8833 5.7000 5.7000 6.3038 6.3038 6.4781 6.4781 7.3489 7.3489 7.6455 7.6455 8.3218 8.3218 8.3550 8.3550 k = 0.0000 0.2523-0.0000 ( 4662 PWs) bands (ev): -9.4979 -9.4979 -9.2565 -9.2565 -7.7600 -7.7600 -7.3132 -7.3132 -1.8651 -1.8651 -1.7606 -1.7606 0.0037 0.0037 0.0897 0.0897 0.7237 0.7237 1.0901 1.0901 1.2943 1.2943 1.4426 1.4426 2.4728 2.4728 2.7870 2.7870 3.6572 3.6572 4.2688 4.2688 4.8360 4.8360 5.6226 5.6226 6.2286 6.2286 6.4811 6.4811 7.3338 7.3338 7.6487 7.6487 8.3323 8.3323 8.3737 8.3737 k = 0.0000 0.2408-0.0000 ( 4658 PWs) bands (ev): -9.5118 -9.5118 -9.2579 -9.2579 -7.7772 -7.7772 -7.3063 -7.3063 -1.8204 -1.8204 -1.7121 -1.7121 0.0220 0.0220 0.0552 0.0552 0.7955 0.7955 1.0783 1.0783 1.2933 1.2933 1.4771 1.4771 2.4591 2.4591 2.7903 2.7903 3.6266 3.6266 4.2741 4.2741 4.7903 4.7903 5.5383 5.5383 6.1525 6.1525 6.4865 6.4865 7.3162 7.3162 7.6486 7.6486 8.3292 8.3292 8.3901 8.3901 k = 0.0000 0.2293-0.0000 ( 4664 PWs) bands (ev): -9.5256 -9.5256 -9.2597 -9.2597 -7.7941 -7.7941 -7.3001 -7.3001 -1.7739 -1.7739 -1.6623 -1.6623 0.0067 0.0067 0.0570 0.0570 0.8695 0.8695 1.0666 1.0666 1.2920 1.2920 1.5097 1.5097 2.4457 2.4457 2.7931 2.7931 3.5963 3.5963 4.2788 4.2788 4.7462 4.7462 5.4485 5.4485 6.0755 6.0755 6.4929 6.4929 7.2962 7.2962 7.6453 7.6453 8.3134 8.3134 8.4058 8.4058 k = 0.0000 0.2179-0.0000 ( 4672 PWs) bands (ev): -9.5392 -9.5392 -9.2618 -9.2618 -7.8106 -7.8106 -7.2944 -7.2944 -1.7256 -1.7256 -1.6112 -1.6112 -0.0281 -0.0281 0.0807 0.0807 0.9455 0.9455 1.0551 1.0551 1.2905 1.2905 1.5404 1.5404 2.4325 2.4325 2.7955 2.7955 3.5663 3.5663 4.2831 4.2831 4.7040 4.7040 5.3545 5.3545 5.9979 5.9979 6.4996 6.4996 7.2739 7.2739 7.6385 7.6385 8.2877 8.2877 8.4208 8.4208 k = 0.0000 0.2064-0.0000 ( 4680 PWs) bands (ev): -9.5524 -9.5524 -9.2642 -9.2642 -7.8265 -7.8265 -7.2892 -7.2892 -1.6759 -1.6759 -1.5591 -1.5591 -0.0634 -0.0634 0.1069 0.1069 1.0227 1.0227 1.0445 1.0445 1.2886 1.2886 1.5692 1.5692 2.4197 2.4197 2.7975 2.7975 3.5369 3.5369 4.2871 4.2871 4.6638 4.6638 5.2573 5.2573 5.9199 5.9199 6.5059 6.5059 7.2497 7.2497 7.6284 7.6284 8.2553 8.2553 8.4354 8.4354 k = 0.0000 0.1949-0.0000 ( 4680 PWs) bands (ev): -9.5653 -9.5653 -9.2668 -9.2668 -7.8418 -7.8418 -7.2846 -7.2846 -1.6251 -1.6251 -1.5063 -1.5063 -0.0979 -0.0979 0.1342 0.1342 1.0324 1.0324 1.1033 1.1033 1.2866 1.2866 1.5960 1.5960 2.4074 2.4074 2.7992 2.7992 3.5080 3.5080 4.2907 4.2907 4.6257 4.6257 5.1577 5.1577 5.8418 5.8418 6.5114 6.5114 7.2240 7.2240 7.6152 7.6152 8.2184 8.2184 8.4496 8.4496 k = 0.0000 0.1835-0.0000 ( 4676 PWs) bands (ev): -9.5778 -9.5778 -9.2696 -9.2696 -7.8566 -7.8566 -7.2804 -7.2804 -1.5735 -1.5735 -1.4531 -1.4531 -0.1314 -0.1314 0.1618 0.1618 1.0219 1.0219 1.1841 1.1841 1.2845 1.2845 1.6209 1.6209 2.3954 2.3954 2.8006 2.8006 3.4798 3.4798 4.2940 4.2940 4.5900 4.5900 5.0564 5.0564 5.7638 5.7638 6.5159 6.5159 7.1971 7.1971 7.5992 7.5992 8.1788 8.1788 8.4635 8.4635 k = 0.0000 0.1720-0.0000 ( 4662 PWs) bands (ev): -9.5898 -9.5898 -9.2726 -9.2726 -7.8707 -7.8707 -7.2767 -7.2767 -1.5214 -1.5214 -1.3998 -1.3998 -0.1639 -0.1639 0.1896 0.1896 1.0116 1.0116 1.2654 1.2654 1.2830 1.2830 1.6438 1.6438 2.3840 2.3840 2.8017 2.8017 3.4524 3.4524 4.2972 4.2972 4.5567 4.5567 4.9538 4.9538 5.6861 5.6861 6.5195 6.5195 7.1694 7.1694 7.5807 7.5807 8.1377 8.1377 8.4771 8.4771 k = 0.0000 0.1605-0.0000 ( 4664 PWs) bands (ev): -9.6012 -9.6012 -9.2756 -9.2756 -7.8841 -7.8841 -7.2734 -7.2734 -1.4692 -1.4692 -1.3466 -1.3466 -0.1954 -0.1954 0.2169 0.2169 1.0018 1.0018 1.2794 1.2794 1.3497 1.3497 1.6648 1.6648 2.3731 2.3731 2.8026 2.8026 3.4260 3.4260 4.3003 4.3003 4.5260 4.5260 4.8507 4.8507 5.6091 5.6091 6.5221 6.5221 7.1415 7.1415 7.5603 7.5603 8.0960 8.0960 8.4903 8.4903 k = 0.0000 0.1491-0.0000 ( 4664 PWs) bands (ev): -9.6121 -9.6121 -9.2786 -9.2786 -7.8967 -7.8967 -7.2705 -7.2705 -1.4173 -1.4173 -1.2938 -1.2938 -0.2259 -0.2259 0.2436 0.2436 0.9924 0.9924 1.2772 1.2772 1.4333 1.4333 1.6840 1.6840 2.3628 2.3628 2.8032 2.8032 3.4006 3.4006 4.3033 4.3033 4.4981 4.4981 4.7474 4.7474 5.5331 5.5331 6.5237 6.5237 7.1136 7.1136 7.5384 7.5384 8.0545 8.0545 8.5028 8.5028 k = 0.0000 0.1376-0.0000 ( 4672 PWs) bands (ev): -9.6223 -9.6223 -9.2816 -9.2816 -7.9086 -7.9086 -7.2679 -7.2679 -1.3662 -1.3662 -1.2418 -1.2418 -0.2554 -0.2554 0.2692 0.2692 0.9836 0.9836 1.2748 1.2748 1.5171 1.5171 1.7016 1.7016 2.3530 2.3530 2.8036 2.8036 3.3764 3.3764 4.3064 4.3064 4.4729 4.4729 4.6447 4.6447 5.4585 5.4585 6.5245 6.5245 7.0863 7.0863 7.5156 7.5156 8.0138 8.0138 8.5147 8.5147 k = 0.0000 0.1261-0.0000 ( 4677 PWs) bands (ev): -9.6319 -9.6319 -9.2846 -9.2846 -7.9197 -7.9197 -7.2657 -7.2657 -1.3163 -1.3163 -1.1908 -1.1908 -0.2839 -0.2839 0.2934 0.2934 0.9753 0.9753 1.2725 1.2725 1.6004 1.6004 1.7178 1.7178 2.3440 2.3440 2.8039 2.8039 3.3535 3.3535 4.3096 4.3096 4.4506 4.4506 4.5431 4.5431 5.3856 5.3856 6.5245 6.5245 7.0598 7.0598 7.4924 7.4924 7.9745 7.9745 8.5257 8.5257 k = 0.0000 0.1147-0.0000 ( 4669 PWs) bands (ev): -9.6408 -9.6408 -9.2874 -9.2874 -7.9299 -7.9299 -7.2638 -7.2638 -1.2681 -1.2681 -1.1413 -1.1413 -0.3115 -0.3115 0.3160 0.3160 0.9677 0.9677 1.2702 1.2702 1.6811 1.6811 1.7342 1.7342 2.3356 2.3356 2.8040 2.8040 3.3320 3.3320 4.3129 4.3129 4.4288 4.4288 4.4458 4.4458 5.3150 5.3150 6.5240 6.5240 7.0347 7.0347 7.4692 7.4692 7.9371 7.9371 8.5358 8.5358 k = 0.0000 0.1032-0.0000 ( 4661 PWs) bands (ev): -9.6490 -9.6490 -9.2901 -9.2901 -7.9392 -7.9392 -7.2621 -7.2621 -1.2222 -1.2222 -1.0934 -1.0934 -0.3382 -0.3382 0.3367 0.3367 0.9606 0.9606 1.2680 1.2680 1.7353 1.7353 1.7743 1.7743 2.3279 2.3279 2.8040 2.8040 3.3122 3.3122 4.3163 4.3163 4.3447 4.3447 4.4164 4.4164 5.2472 5.2472 6.5230 6.5230 7.0111 7.0111 7.4466 7.4466 7.9020 7.9020 8.5448 8.5448 k = 0.0000 0.0917-0.0000 ( 4655 PWs) bands (ev): -9.6564 -9.6564 -9.2927 -9.2927 -7.9476 -7.9476 -7.2607 -7.2607 -1.1789 -1.1789 -1.0477 -1.0477 -0.3639 -0.3639 0.3553 0.3553 0.9542 0.9542 1.2660 1.2660 1.7507 1.7507 1.8497 1.8497 2.3209 2.3209 2.8040 2.8040 3.2940 3.2940 4.2502 4.2502 4.3208 4.3208 4.4028 4.4028 5.1827 5.1827 6.5217 6.5217 6.9893 6.9893 7.4251 7.4251 7.8696 7.8696 8.5529 8.5529 k = 0.0000 0.0803-0.0000 ( 4649 PWs) bands (ev): -9.6630 -9.6630 -9.2950 -9.2950 -7.9551 -7.9551 -7.2595 -7.2595 -1.1390 -1.1390 -1.0044 -1.0044 -0.3886 -0.3886 0.3717 0.3717 0.9485 0.9485 1.2641 1.2641 1.7610 1.7610 1.9257 1.9257 2.3147 2.3147 2.8038 2.8038 3.2778 3.2778 4.1606 4.1606 4.3249 4.3249 4.3924 4.3924 5.1222 5.1222 6.5202 6.5202 6.9697 6.9697 7.4050 7.4050 7.8402 7.8402 8.5598 8.5598 k = 0.0000 0.0688-0.0000 ( 4657 PWs) bands (ev): -9.6687 -9.6687 -9.2970 -9.2970 -7.9617 -7.9617 -7.2586 -7.2586 -1.1030 -1.1030 -0.9640 -0.9640 -0.4121 -0.4121 0.3857 0.3857 0.9435 0.9435 1.2625 1.2625 1.7696 1.7696 1.9978 1.9978 2.3093 2.3093 2.8036 2.8036 3.2635 3.2635 4.0766 4.0766 4.3291 4.3291 4.3849 4.3849 5.0664 5.0664 6.5186 6.5186 6.9523 6.9523 7.3868 7.3868 7.8141 7.8141 8.5658 8.5658 k = 0.0000 0.0573-0.0000 ( 4661 PWs) bands (ev): -9.6736 -9.6736 -9.2988 -9.2988 -7.9673 -7.9673 -7.2578 -7.2578 -1.0714 -1.0714 -0.9272 -0.9272 -0.4341 -0.4341 0.3974 0.3974 0.9392 0.9392 1.2611 1.2611 1.7766 1.7766 2.0644 2.0644 2.3047 2.3047 2.8033 2.8033 3.2513 3.2513 3.9999 3.9999 4.3329 4.3329 4.3804 4.3804 5.0163 5.0163 6.5171 6.5171 6.9373 6.9373 7.3708 7.3708 7.7917 7.7917 8.5707 8.5707 k = 0.0000 0.0459-0.0000 ( 4671 PWs) bands (ev): -9.6777 -9.6777 -9.3003 -9.3003 -7.9718 -7.9718 -7.2571 -7.2571 -1.0447 -1.0447 -0.8945 -0.8945 -0.4543 -0.4543 0.4069 0.4069 0.9357 0.9357 1.2598 1.2598 1.7823 1.7823 2.1234 2.1234 2.3009 2.3009 2.8030 2.8030 3.2414 3.2414 3.9324 3.9324 4.3358 4.3358 4.3788 4.3788 4.9728 4.9728 6.5157 6.5157 6.9249 6.9249 7.3572 7.3572 7.7730 7.7730 8.5747 8.5747 k = 0.0000 0.0344-0.0000 ( 4685 PWs) bands (ev): -9.6808 -9.6808 -9.3015 -9.3015 -7.9754 -7.9754 -7.2567 -7.2567 -1.0234 -1.0234 -0.8671 -0.8671 -0.4718 -0.4718 0.4141 0.4141 0.9330 0.9330 1.2589 1.2589 1.7867 1.7867 2.1727 2.1727 2.2979 2.2979 2.8028 2.8028 3.2337 3.2337 3.8764 3.8764 4.3376 4.3376 4.3795 4.3795 4.9371 4.9371 6.5146 6.5146 6.9152 6.9152 7.3465 7.3465 7.7583 7.7583 8.5777 8.5777 k = 0.0000 0.0229-0.0000 ( 4685 PWs) bands (ev): -9.6831 -9.6831 -9.3023 -9.3023 -7.9780 -7.9780 -7.2563 -7.2563 -1.0079 -1.0079 -0.8460 -0.8460 -0.4857 -0.4857 0.4192 0.4192 0.9310 0.9310 1.2582 1.2582 1.7899 1.7899 2.2102 2.2102 2.2957 2.2957 2.8025 2.8025 3.2282 3.2282 3.8340 3.8340 4.3384 4.3384 4.3814 4.3814 4.9104 4.9104 6.5137 6.5137 6.9082 6.9082 7.3386 7.3386 7.7477 7.7477 8.5798 8.5798 k = 0.0000 0.0115-0.0000 ( 4681 PWs) bands (ev): -9.6845 -9.6845 -9.3028 -9.3028 -7.9795 -7.9795 -7.2561 -7.2561 -0.9984 -0.9984 -0.8325 -0.8325 -0.4947 -0.4947 0.4222 0.4222 0.9298 0.9298 1.2578 1.2578 1.7918 1.7918 2.2337 2.2337 2.2944 2.2944 2.8023 2.8023 3.2250 3.2250 3.8075 3.8075 4.3386 4.3386 4.3833 4.3833 4.8938 4.8938 6.5131 6.5131 6.9040 6.9040 7.3339 7.3339 7.7413 7.7413 8.5811 8.5811 k = 0.0000 0.0000 0.0000 ( 4679 PWs) bands (ev): -9.6849 -9.6849 -9.3030 -9.3030 -7.9800 -7.9800 -7.2561 -7.2561 -0.9953 -0.9953 -0.8279 -0.8279 -0.4979 -0.4979 0.4232 0.4232 0.9294 0.9294 1.2576 1.2576 1.7924 1.7924 2.2417 2.2417 2.2940 2.2940 2.8023 2.8023 3.2240 3.2240 3.7985 3.7985 4.3387 4.3387 4.3840 4.3840 4.8881 4.8881 6.5129 6.5129 6.9026 6.9026 7.3323 7.3323 7.7391 7.7391 8.5815 8.5815 k = 0.0000 0.0000 0.0000 ( 4679 PWs) bands (ev): -9.6849 -9.6849 -9.3030 -9.3030 -7.9800 -7.9800 -7.2561 -7.2561 -0.9953 -0.9953 -0.8279 -0.8279 -0.4979 -0.4979 0.4232 0.4232 0.9294 0.9294 1.2576 1.2576 1.7924 1.7924 2.2417 2.2417 2.2940 2.2940 2.8023 2.8023 3.2240 3.2240 3.7985 3.7985 4.3387 4.3387 4.3840 4.3840 4.8881 4.8881 6.5129 6.5129 6.9026 6.9026 7.3323 7.3323 7.7391 7.7391 8.5815 8.5815 k = 0.0000 0.0000 0.0109 ( 4681 PWs) bands (ev): -9.6842 -9.6842 -9.3043 -9.3043 -7.9779 -7.9779 -7.2577 -7.2577 -0.9980 -0.9980 -0.8300 -0.8300 -0.4910 -0.4910 0.4271 0.4271 0.9300 0.9300 1.2565 1.2565 1.7859 1.7859 2.2360 2.2360 2.2956 2.2956 2.8013 2.8013 3.2236 3.2236 3.7922 3.7922 4.3478 4.3478 4.3888 4.3888 4.8918 4.8918 6.5157 6.5157 6.9046 6.9046 7.3254 7.3254 7.7427 7.7427 8.5803 8.5803 k = 0.0000 0.0000 0.0218 ( 4677 PWs) bands (ev): -9.6822 -9.6822 -9.3083 -9.3083 -7.9717 -7.9717 -7.2624 -7.2624 -1.0056 -1.0056 -0.8360 -0.8360 -0.4708 -0.4708 0.4389 0.4389 0.9318 0.9318 1.2531 1.2531 1.7664 1.7664 2.2189 2.2189 2.3002 2.3002 2.7982 2.7982 3.2227 3.2227 3.7747 3.7747 4.3735 4.3735 4.4026 4.4026 4.9032 4.9032 6.5239 6.5239 6.9106 6.9106 7.3054 7.3054 7.7529 7.7529 8.5767 8.5767 k = 0.0000 0.0000 0.0327 ( 4683 PWs) bands (ev): -9.6788 -9.6788 -9.3148 -9.3148 -7.9615 -7.9615 -7.2703 -7.2703 -1.0168 -1.0168 -0.8457 -0.8457 -0.4388 -0.4388 0.4581 0.4581 0.9347 0.9347 1.2475 1.2475 1.7347 1.7347 2.1912 2.1912 2.3079 2.3079 2.7932 2.7932 3.2216 3.2216 3.7492 3.7492 4.4111 4.4111 4.4247 4.4247 4.9229 4.9229 6.5373 6.5373 6.9205 6.9205 7.2741 7.2741 7.7685 7.7685 8.5707 8.5707 k = 0.0000 0.0000 0.0437 ( 4681 PWs) bands (ev): -9.6740 -9.6740 -9.3237 -9.3237 -7.9474 -7.9474 -7.2812 -7.2812 -1.0300 -1.0300 -0.8587 -0.8587 -0.3966 -0.3966 0.4840 0.4840 0.9388 0.9388 1.2399 1.2399 1.6918 1.6918 2.1536 2.1536 2.3184 2.3184 2.7861 2.7861 3.2209 3.2209 3.7187 3.7187 4.4513 4.4513 4.4575 4.4575 4.9519 4.9519 6.5550 6.5550 6.9339 6.9339 7.2340 7.2340 7.7882 7.7882 8.5626 8.5626 k = 0.0000 0.0000 0.0546 ( 4679 PWs) bands (ev): -9.6680 -9.6680 -9.3348 -9.3348 -7.9297 -7.9297 -7.2952 -7.2952 -1.0439 -1.0439 -0.8744 -0.8744 -0.3457 -0.3457 0.5159 0.5159 0.9441 0.9441 1.2304 1.2304 1.6392 1.6392 2.1073 2.1073 2.3315 2.3315 2.7771 2.7771 3.2213 3.2213 3.6858 3.6858 4.4847 4.4847 4.5036 4.5036 4.9917 4.9917 6.5758 6.5758 6.9502 6.9502 7.1880 7.1880 7.8112 7.8112 8.5525 8.5525 k = 0.0000 0.0000 0.0655 ( 4684 PWs) bands (ev): -9.6606 -9.6606 -9.3478 -9.3478 -7.9088 -7.9088 -7.3119 -7.3119 -1.0573 -1.0573 -0.8921 -0.8921 -0.2876 -0.2876 0.5527 0.5527 0.9504 0.9504 1.2193 1.2193 1.5784 1.5784 2.0534 2.0534 2.3470 2.3470 2.7661 2.7661 3.2232 3.2232 3.6519 3.6519 4.5200 4.5200 4.5486 4.5486 5.0433 5.0433 6.5970 6.5970 6.9686 6.9686 7.1405 7.1405 7.8369 7.8369 8.5407 8.5407 k = 0.0000 0.0000 0.0764 ( 4674 PWs) bands (ev): -9.6519 -9.6519 -9.3624 -9.3624 -7.8850 -7.8850 -7.3313 -7.3313 -1.0693 -1.0693 -0.9113 -0.9113 -0.2232 -0.2232 0.5930 0.5930 0.9579 0.9579 1.2067 1.2067 1.5118 1.5118 1.9932 1.9932 2.3647 2.3647 2.7533 2.7533 3.2269 3.2269 3.6181 3.6181 4.5557 4.5557 4.5894 4.5894 5.1071 5.1071 6.6139 6.6139 6.9864 6.9864 7.0985 7.0985 7.8650 7.8650 8.5277 8.5277 k = 0.0000 0.0000 0.0873 ( 4678 PWs) bands (ev): -9.6421 -9.6421 -9.3783 -9.3783 -7.8585 -7.8585 -7.3533 -7.3533 -1.0794 -1.0794 -0.9314 -0.9314 -0.1535 -0.1535 0.6351 0.6351 0.9664 0.9664 1.1930 1.1930 1.4417 1.4417 1.9279 1.9279 2.3841 2.3841 2.7388 2.7388 3.2328 3.2328 3.5847 3.5847 4.5905 4.5905 4.6245 4.6245 5.1823 5.1823 6.6185 6.6185 6.9983 6.9983 7.0750 7.0750 7.8957 7.8957 8.5138 8.5138 k = 0.0000 0.0000 0.0982 ( 4676 PWs) bands (ev): -9.6310 -9.6310 -9.3954 -9.3954 -7.8298 -7.8298 -7.3777 -7.3777 -1.0873 -1.0873 -0.9518 -0.9518 -0.0792 -0.0792 0.6762 0.6762 0.9760 0.9760 1.1783 1.1783 1.3716 1.3716 1.8587 1.8587 2.4051 2.4051 2.7225 2.7225 3.2409 3.2409 3.5522 3.5522 4.6230 4.6230 4.6540 4.6540 5.2676 5.2676 6.6015 6.6015 7.0033 7.0033 7.0790 7.0790 7.9293 7.9293 8.4997 8.4997 k = 0.0000 0.0000 0.1092 ( 4682 PWs) bands (ev): -9.6187 -9.6187 -9.4132 -9.4132 -7.7992 -7.7992 -7.4041 -7.4041 -1.0927 -1.0927 -0.9721 -0.9721 -0.0009 -0.0009 0.7121 0.7121 0.9865 0.9865 1.1627 1.1627 1.3067 1.3067 1.7866 1.7866 2.4274 2.4274 2.7047 2.7047 3.2513 3.2513 3.5207 3.5207 4.6522 4.6522 4.6783 4.6783 5.3611 5.3611 6.5581 6.5581 7.0164 7.0164 7.0985 7.0985 7.9664 7.9664 8.4859 8.4859 k = 0.0000 0.0000 0.1201 ( 4686 PWs) bands (ev): -9.6054 -9.6054 -9.4317 -9.4317 -7.7671 -7.7671 -7.4326 -7.4326 -1.0955 -1.0955 -0.9919 -0.9919 0.0808 0.0808 0.7356 0.7356 0.9980 0.9980 1.1466 1.1466 1.2544 1.2544 1.7127 1.7127 2.4507 2.4507 2.6855 2.6855 3.2639 3.2639 3.4902 3.4902 4.6775 4.6775 4.6980 4.6980 5.4608 5.4608 6.4917 6.4917 7.0427 7.0427 7.1220 7.1220 8.0080 8.0080 8.4735 8.4735 k = 0.0000 0.0000 0.1310 ( 4682 PWs) bands (ev): -9.5910 -9.5910 -9.4505 -9.4505 -7.7338 -7.7338 -7.4627 -7.4627 -1.0956 -1.0956 -1.0107 -1.0107 0.1651 0.1651 0.7376 0.7376 1.0104 1.0104 1.1304 1.1304 1.2244 1.2244 1.6380 1.6380 2.4747 2.4747 2.6650 2.6650 3.2786 3.2786 3.4609 3.4609 4.6985 4.6985 4.7136 4.7136 5.5652 5.5652 6.4091 6.4091 7.0767 7.0767 7.1450 7.1450 8.0551 8.0551 8.4633 8.4633 k = 0.0000 0.0000 0.1419 ( 4688 PWs) bands (ev): -9.5757 -9.5757 -9.4693 -9.4693 -7.6996 -7.6996 -7.4943 -7.4943 -1.0931 -1.0931 -1.0282 -1.0282 0.2514 0.2514 0.7113 0.7113 1.0237 1.0237 1.1145 1.1145 1.2234 1.2234 1.5635 1.5635 2.4992 2.4992 2.6433 2.6433 3.2954 3.2954 3.4328 3.4328 4.7150 4.7150 4.7253 4.7253 5.6728 5.6728 6.3158 6.3158 7.1118 7.1118 7.1646 7.1646 8.1091 8.1091 8.4567 8.4567 k = 0.0000 0.0000 0.1528 ( 4684 PWs) bands (ev): -9.5595 -9.5595 -9.4882 -9.4882 -7.6649 -7.6649 -7.5271 -7.5271 -1.0880 -1.0880 -1.0442 -1.0442 0.3386 0.3386 0.6593 0.6593 1.0377 1.0377 1.0987 1.0987 1.2497 1.2497 1.4903 1.4903 2.5239 2.5239 2.6206 2.6206 3.3141 3.3141 3.4061 3.4061 4.7270 4.7270 4.7334 4.7334 5.7823 5.7823 6.2154 6.2154 7.1429 7.1429 7.1784 7.1784 8.1711 8.1711 8.4541 8.4541 k = 0.0000 0.0000 0.1637 ( 4676 PWs) bands (ev): -9.5425 -9.5425 -9.5067 -9.5067 -7.6300 -7.6300 -7.5608 -7.5608 -1.0804 -1.0804 -1.0584 -1.0584 0.4255 0.4255 0.5897 0.5897 1.0523 1.0523 1.0830 1.0830 1.2956 1.2956 1.4198 1.4198 2.5486 2.5486 2.5972 2.5972 3.3346 3.3346 3.3807 3.3807 4.7347 4.7347 4.7377 4.7377 5.8924 5.8924 6.1103 6.1103 7.1665 7.1665 7.1842 7.1842 8.2417 8.2417 8.3999 8.3999 k = 0.0000 0.0000 0.1747 ( 4672 PWs) bands (ev): -9.5249 -9.5249 -9.5249 -9.5249 -7.5952 -7.5952 -7.5952 -7.5952 -1.0705 -1.0705 -1.0705 -1.0705 0.5102 0.5102 0.5102 0.5102 1.0675 1.0675 1.0675 1.0675 1.3539 1.3539 1.3539 1.3539 2.5731 2.5731 2.5731 2.5731 3.3569 3.3569 3.3569 3.3569 4.7382 4.7382 4.7382 4.7382 6.0022 6.0022 6.0022 6.0022 7.1804 7.1804 7.1804 7.1804 8.3197 8.3197 8.3197 8.3197 k = 0.0000 0.0000 0.1747 ( 4672 PWs) bands (ev): -9.5249 -9.5249 -9.5249 -9.5249 -7.5952 -7.5952 -7.5952 -7.5952 -1.0705 -1.0705 -1.0705 -1.0705 0.5102 0.5102 0.5102 0.5102 1.0675 1.0675 1.0675 1.0675 1.3539 1.3539 1.3539 1.3539 2.5731 2.5731 2.5731 2.5731 3.3569 3.3569 3.3569 3.3569 4.7382 4.7382 4.7382 4.7382 6.0022 6.0022 6.0022 6.0022 7.1804 7.1804 7.1804 7.1804 8.3197 8.3197 8.3197 8.3197 k = 0.0114-0.0000 0.1747 ( 4680 PWs) bands (ev): -9.5238 -9.5238 -9.5237 -9.5237 -7.5945 -7.5945 -7.5943 -7.5943 -1.0757 -1.0757 -1.0752 -1.0752 0.5102 0.5102 0.5102 0.5102 1.0664 1.0664 1.0679 1.0679 1.3456 1.3456 1.3467 1.3467 2.5735 2.5735 2.5754 2.5754 3.3577 3.3577 3.3609 3.3609 4.7418 4.7418 4.7441 4.7441 6.0015 6.0015 6.0028 6.0028 7.1843 7.1843 7.1863 7.1863 8.3213 8.3213 8.3235 8.3235 k = 0.0227-0.0000 0.1747 ( 4668 PWs) bands (ev): -9.5203 -9.5203 -9.5202 -9.5202 -7.5921 -7.5921 -7.5918 -7.5918 -1.0908 -1.0908 -1.0899 -1.0899 0.5102 0.5102 0.5103 0.5103 1.0648 1.0648 1.0677 1.0677 1.3221 1.3221 1.3243 1.3243 2.5765 2.5765 2.5803 2.5803 3.3634 3.3634 3.3697 3.3697 4.7547 4.7547 4.7594 4.7594 6.0009 6.0009 6.0034 6.0034 7.1978 7.1978 7.2018 7.2018 8.3275 8.3275 8.3314 8.3314 k = 0.0341-0.0000 0.1747 ( 4668 PWs) bands (ev): -9.5144 -9.5144 -9.5142 -9.5142 -7.5882 -7.5882 -7.5877 -7.5877 -1.1156 -1.1156 -1.1143 -1.1143 0.5101 0.5101 0.5104 0.5104 1.0628 1.0628 1.0671 1.0671 1.2844 1.2844 1.2879 1.2879 2.5819 2.5819 2.5874 2.5874 3.3736 3.3736 3.3828 3.3828 4.7764 4.7764 4.7833 4.7833 6.0001 6.0001 6.0039 6.0039 7.2212 7.2212 7.2269 7.2269 8.3360 8.3360 8.3407 8.3407 k = 0.0455-0.0000 0.1747 ( 4668 PWs) bands (ev): -9.5062 -9.5062 -9.5060 -9.5060 -7.5826 -7.5826 -7.5820 -7.5820 -1.1501 -1.1501 -1.1484 -1.1484 0.5096 0.5096 0.5103 0.5103 1.0603 1.0603 1.0662 1.0662 1.2340 1.2340 1.2393 1.2393 2.5894 2.5894 2.5964 2.5964 3.3879 3.3879 3.3997 3.3997 4.8059 4.8059 4.8150 4.8150 5.9993 5.9993 6.0041 6.0041 7.2546 7.2546 7.2618 7.2618 8.3442 8.3442 8.3486 8.3486 k = 0.0568-0.0000 0.1747 ( 4664 PWs) bands (ev): -9.4957 -9.4957 -9.4954 -9.4954 -7.5755 -7.5755 -7.5747 -7.5747 -1.1940 -1.1940 -1.1918 -1.1918 0.5083 0.5083 0.5097 0.5097 1.0565 1.0565 1.0645 1.0645 1.1740 1.1740 1.1817 1.1817 2.5985 2.5985 2.6068 2.6068 3.4058 3.4058 3.4199 3.4199 4.8422 4.8422 4.8533 4.8533 5.9982 5.9982 6.0041 6.0041 7.2980 7.2980 7.3064 7.3064 8.3502 8.3502 8.3537 8.3537 k = 0.0682-0.0000 0.1747 ( 4660 PWs) bands (ev): -9.4828 -9.4828 -9.4825 -9.4825 -7.5668 -7.5668 -7.5658 -7.5658 -1.2468 -1.2468 -1.2443 -1.2443 0.5053 0.5053 0.5078 0.5078 1.0460 1.0460 1.0557 1.0557 1.1133 1.1133 1.1235 1.1235 2.6089 2.6089 2.6182 2.6182 3.4266 3.4266 3.4427 3.4427 4.8839 4.8839 4.8968 4.8968 5.9969 5.9969 6.0038 6.0038 7.3515 7.3515 7.3607 7.3607 8.3538 8.3538 8.3564 8.3564 k = 0.0795-0.0000 0.1747 ( 4658 PWs) bands (ev): -9.4676 -9.4676 -9.4672 -9.4672 -7.5566 -7.5566 -7.5555 -7.5555 -1.3082 -1.3082 -1.3053 -1.3053 0.4989 0.4989 0.5031 0.5031 1.0070 1.0070 1.0086 1.0086 1.0868 1.0868 1.0902 1.0902 2.6204 2.6204 2.6305 2.6305 3.4498 3.4498 3.4675 3.4675 4.9293 4.9293 4.9440 4.9440 5.9952 5.9952 6.0030 6.0030 7.4152 7.4152 7.4248 7.4248 8.3557 8.3557 8.3573 8.3573 k = 0.0909-0.0000 0.1747 ( 4662 PWs) bands (ev): -9.4501 -9.4501 -9.4496 -9.4496 -7.5450 -7.5450 -7.5438 -7.5438 -1.3776 -1.3776 -1.3743 -1.3743 0.4861 0.4861 0.4925 0.4925 0.9361 0.9361 0.9416 0.9416 1.0848 1.0848 1.0865 1.0865 2.6326 2.6326 2.6433 2.6433 3.4746 3.4746 3.4936 3.4936 4.9770 4.9770 4.9932 4.9932 5.9932 5.9932 6.0018 6.0018 7.4889 7.4889 7.4983 7.4983 8.3568 8.3568 8.3573 8.3573 k = 0.1023-0.0000 0.1747 ( 4664 PWs) bands (ev): -9.4303 -9.4303 -9.4298 -9.4298 -7.5320 -7.5320 -7.5306 -7.5306 -1.4542 -1.4542 -1.4506 -1.4506 0.4617 0.4617 0.4708 0.4708 0.8654 0.8654 0.8754 0.8754 1.0885 1.0885 1.0921 1.0921 2.6455 2.6455 2.6565 2.6565 3.5006 3.5006 3.5205 3.5205 5.0255 5.0255 5.0430 5.0430 5.9909 5.9909 6.0003 6.0003 7.5724 7.5724 7.5809 7.5809 8.3575 8.3575 8.3582 8.3582 k = 0.1136-0.0000 0.1747 ( 4664 PWs) bands (ev): -9.4082 -9.4082 -9.4076 -9.4076 -7.5177 -7.5177 -7.5162 -7.5162 -1.5374 -1.5374 -1.5335 -1.5335 0.4189 0.4189 0.4304 0.4304 0.8084 0.8084 0.8215 0.8215 1.0964 1.0964 1.1011 1.1011 2.6587 2.6587 2.6699 2.6699 3.5272 3.5272 3.5478 3.5478 5.0731 5.0731 5.0918 5.0918 5.9885 5.9885 5.9985 5.9985 7.6648 7.6648 7.6717 7.6717 8.3588 8.3588 8.3610 8.3610 k = 0.1250-0.0000 0.1747 ( 4664 PWs) bands (ev): -9.3838 -9.3838 -9.3832 -9.3832 -7.5022 -7.5022 -7.5005 -7.5005 -1.6264 -1.6264 -1.6222 -1.6222 0.3530 0.3530 0.3654 0.3654 0.7725 0.7725 0.7869 0.7869 1.1076 1.1076 1.1128 1.1128 2.6724 2.6724 2.6836 2.6836 3.5539 3.5539 3.5750 3.5750 5.1185 5.1185 5.1382 5.1382 5.9861 5.9861 5.9967 5.9967 7.7649 7.7649 7.7691 7.7691 8.3628 8.3628 8.3669 8.3669 k = 0.1364-0.0000 0.1747 ( 4676 PWs) bands (ev): -9.3572 -9.3572 -9.3565 -9.3565 -7.4855 -7.4855 -7.4836 -7.4836 -1.7204 -1.7204 -1.7159 -1.7159 0.2655 0.2655 0.2773 0.2773 0.7575 0.7575 0.7715 0.7715 1.1218 1.1218 1.1272 1.1272 2.6862 2.6862 2.6975 2.6975 3.5805 3.5805 3.6018 3.6018 5.1606 5.1606 5.1811 5.1811 5.9841 5.9841 5.9951 5.9951 7.8700 7.8700 7.8701 7.8701 8.3718 8.3718 8.3788 8.3788 k = 0.1477-0.0000 0.1747 ( 4668 PWs) bands (ev): -9.3283 -9.3283 -9.3275 -9.3275 -7.4677 -7.4677 -7.4657 -7.4657 -1.8185 -1.8185 -1.8138 -1.8138 0.1616 0.1616 0.1724 0.1724 0.7580 0.7580 0.7709 0.7709 1.1387 1.1387 1.1443 1.1443 2.7003 2.7003 2.7114 2.7114 3.6063 3.6063 3.6278 3.6278 5.1982 5.1982 5.2194 5.2194 5.9827 5.9827 5.9940 5.9940 7.9694 7.9694 7.9749 7.9749 8.3906 8.3906 8.4017 8.4017 k = 0.1591-0.0000 0.1747 ( 4672 PWs) bands (ev): -9.2972 -9.2972 -9.2964 -9.2964 -7.4491 -7.4491 -7.4469 -7.4469 -1.9199 -1.9199 -1.9150 -1.9150 0.0468 0.0468 0.0565 0.0565 0.7691 0.7691 0.7808 0.7808 1.1582 1.1582 1.1639 1.1639 2.7144 2.7144 2.7253 2.7253 3.6313 3.6313 3.6527 3.6527 5.2307 5.2307 5.2524 5.2524 5.9823 5.9823 5.9938 5.9938 8.0578 8.0578 8.0701 8.0701 8.4279 8.4279 8.4435 8.4435 k = 0.1705-0.0000 0.1747 ( 4674 PWs) bands (ev): -9.2639 -9.2639 -9.2631 -9.2631 -7.4296 -7.4296 -7.4273 -7.4273 -2.0239 -2.0239 -2.0188 -2.0188 -0.0754 -0.0754 -0.0667 -0.0667 0.7876 0.7876 0.7982 0.7982 1.1804 1.1804 1.1860 1.1860 2.7285 2.7285 2.7392 2.7392 3.6549 3.6549 3.6762 3.6762 5.2574 5.2574 5.2793 5.2793 5.9833 5.9833 5.9946 5.9946 8.1251 8.1251 8.1430 8.1430 8.4949 8.4949 8.5132 8.5132 k = 0.1818-0.0000 0.1747 ( 4674 PWs) bands (ev): -9.2284 -9.2284 -9.2275 -9.2275 -7.4095 -7.4095 -7.4071 -7.4071 -2.1295 -2.1295 -2.1244 -2.1244 -0.2026 -0.2026 -0.1947 -0.1947 0.8117 0.8117 0.8213 0.8213 1.2049 1.2049 1.2105 1.2105 2.7425 2.7425 2.7529 2.7529 3.6768 3.6768 3.6979 3.6979 5.2781 5.2781 5.3000 5.3000 5.9857 5.9857 5.9967 5.9967 8.1684 8.1684 8.1885 8.1885 8.5947 8.5947 8.6114 8.6114 k = 0.1932-0.0000 0.1747 ( 4684 PWs) bands (ev): -9.1908 -9.1908 -9.1899 -9.1899 -7.3889 -7.3889 -7.3864 -7.3864 -2.2362 -2.2362 -2.2309 -2.2309 -0.3332 -0.3332 -0.3259 -0.3259 0.8403 0.8403 0.8490 0.8490 1.2318 1.2318 1.2372 1.2372 2.7563 2.7563 2.7664 2.7664 3.6966 3.6966 3.7174 3.7174 5.2928 5.2928 5.3145 5.3145 5.9899 5.9899 6.0003 6.0003 8.1938 8.1938 8.2138 8.2138 8.7165 8.7165 8.7283 8.7283 k = 0.2045-0.0000 0.1747 ( 4684 PWs) bands (ev): -9.1511 -9.1511 -9.1502 -9.1502 -7.3680 -7.3680 -7.3654 -7.3654 -2.3431 -2.3431 -2.3377 -2.3377 -0.4660 -0.4660 -0.4593 -0.4593 0.8727 0.8727 0.8806 0.8806 1.2609 1.2609 1.2662 1.2662 2.7697 2.7697 2.7795 2.7795 3.7140 3.7140 3.7344 3.7344 5.3019 5.3019 5.3233 5.3233 5.9956 5.9956 6.0052 6.0052 8.2085 8.2085 8.2279 8.2279 8.8457 8.8457 8.8509 8.8509 k = 0.2159-0.0000 0.1747 ( 4696 PWs) bands (ev): -9.1094 -9.1094 -9.1083 -9.1083 -7.3471 -7.3471 -7.3443 -7.3443 -2.4496 -2.4496 -2.4442 -2.4442 -0.6003 -0.6003 -0.5940 -0.5940 0.9085 0.9085 0.9157 0.9157 1.2922 1.2922 1.2973 1.2973 2.7827 2.7827 2.7921 2.7921 3.7284 3.7284 3.7485 3.7485 5.3060 5.3060 5.3268 5.3268 6.0027 6.0027 6.0113 6.0113 8.2171 8.2171 8.2359 8.2359 8.9647 8.9647 8.9668 8.9668 k = 0.2273-0.0000 0.1747 ( 4708 PWs) bands (ev): -9.0656 -9.0656 -9.0645 -9.0645 -7.3263 -7.3263 -7.3234 -7.3234 -2.5549 -2.5549 -2.5495 -2.5495 -0.7353 -0.7353 -0.7295 -0.7295 0.9474 0.9474 0.9540 0.9540 1.3255 1.3255 1.3303 1.3303 2.7950 2.7950 2.8041 2.8041 3.7395 3.7395 3.7591 3.7591 5.3061 5.3061 5.3262 5.3262 6.0108 6.0108 6.0183 6.0183 8.2220 8.2220 8.2405 8.2405 9.0544 9.0544 9.0619 9.0619 k = 0.2386-0.0000 0.1747 ( 4712 PWs) bands (ev): -9.0198 -9.0198 -9.0187 -9.0187 -7.3059 -7.3059 -7.3030 -7.3030 -2.6585 -2.6585 -2.6531 -2.6531 -0.8707 -0.8707 -0.8651 -0.8651 0.9892 0.9892 0.9953 0.9953 1.3606 1.3606 1.3653 1.3653 2.8066 2.8066 2.8153 2.8153 3.7466 3.7466 3.7657 3.7657 5.3032 5.3032 5.3225 5.3225 6.0195 6.0195 6.0257 6.0257 8.2241 8.2241 8.2425 8.2425 9.1093 9.1093 9.1171 9.1171 k = 0.2500-0.0000 0.1747 ( 4702 PWs) bands (ev): -8.9720 -8.9720 -8.9709 -8.9709 -7.2862 -7.2862 -7.2832 -7.2832 -2.7597 -2.7597 -2.7543 -2.7543 -1.0059 -1.0059 -1.0006 -1.0006 1.0338 1.0338 1.0393 1.0393 1.3976 1.3976 1.4021 1.4021 2.8172 2.8172 2.8256 2.8256 3.7494 3.7494 3.7679 3.7679 5.2984 5.2984 5.3168 5.3168 6.0281 6.0281 6.0330 6.0330 8.2240 8.2240 8.2424 8.2424 9.1322 9.1322 9.1360 9.1360 k = 0.2614-0.0000 0.1747 ( 4700 PWs) bands (ev): -8.9224 -8.9224 -8.9213 -8.9213 -7.2675 -7.2675 -7.2644 -7.2644 -2.8579 -2.8579 -2.8525 -2.8525 -1.1405 -1.1405 -1.1355 -1.1355 1.0809 1.0809 1.0859 1.0859 1.4363 1.4363 1.4406 1.4406 2.8267 2.8267 2.8347 2.8347 3.7472 3.7472 3.7651 3.7651 5.2928 5.2928 5.3103 5.3103 6.0364 6.0364 6.0400 6.0400 8.2218 8.2218 8.2401 8.2401 9.1338 9.1338 9.1350 9.1350 k = 0.2727-0.0000 0.1747 ( 4704 PWs) bands (ev): -8.8710 -8.8710 -8.8698 -8.8698 -7.2501 -7.2501 -7.2470 -7.2470 -2.9524 -2.9524 -2.9471 -2.9471 -1.2742 -1.2742 -1.2694 -1.2694 1.1305 1.1305 1.1350 1.1350 1.4765 1.4765 1.4806 1.4806 2.8348 2.8348 2.8426 2.8426 3.7397 3.7397 3.7568 3.7568 5.2875 5.2875 5.3042 5.3042 6.0437 6.0437 6.0460 6.0460 8.2175 8.2175 8.2357 8.2357 9.1234 9.1234 9.1289 9.1289 k = 0.2841-0.0000 0.1747 ( 4706 PWs) bands (ev): -8.8178 -8.8178 -8.8166 -8.8166 -7.2343 -7.2343 -7.2312 -7.2312 -3.0427 -3.0427 -3.0375 -3.0375 -1.4068 -1.4068 -1.4022 -1.4022 1.1824 1.1824 1.1865 1.1865 1.5183 1.5183 1.5222 1.5222 2.8415 2.8415 2.8489 2.8489 3.7263 3.7263 3.7427 3.7427 5.2837 5.2837 5.2995 5.2995 6.0497 6.0497 6.0508 6.0508 8.2111 8.2111 8.2292 8.2292 9.1123 9.1123 9.1210 9.1210 k = 0.2955-0.0000 0.1747 ( 4710 PWs) bands (ev): -8.7629 -8.7629 -8.7617 -8.7617 -7.2207 -7.2207 -7.2176 -7.2176 -3.1281 -3.1281 -3.1230 -3.1230 -1.5379 -1.5379 -1.5335 -1.5335 1.2365 1.2365 1.2402 1.2402 1.5613 1.5613 1.5651 1.5651 2.8465 2.8465 2.8536 2.8536 3.7069 3.7069 3.7225 3.7225 5.2820 5.2820 5.2969 5.2969 6.0540 6.0540 6.0541 6.0541 8.2029 8.2029 8.2206 8.2206 9.1044 9.1044 9.1153 9.1153 k = 0.3068-0.0000 0.1747 ( 4702 PWs) bands (ev): -8.7064 -8.7064 -8.7052 -8.7052 -7.2094 -7.2094 -7.2063 -7.2063 -3.2081 -3.2081 -3.2031 -3.2031 -1.6672 -1.6672 -1.6630 -1.6630 1.2928 1.2928 1.2962 1.2962 1.6056 1.6056 1.6092 1.6092 2.8496 2.8496 2.8565 2.8565 3.6813 3.6813 3.6960 3.6960 5.2831 5.2831 5.2973 5.2973 6.0553 6.0553 6.0566 6.0566 8.1934 8.1934 8.2106 8.2106 9.1015 9.1015 9.1137 9.1137 k = 0.3182-0.0000 0.1747 ( 4704 PWs) bands (ev): -8.6484 -8.6484 -8.6472 -8.6472 -7.2010 -7.2010 -7.1979 -7.1979 -3.2820 -3.2820 -3.2772 -3.2772 -1.7946 -1.7946 -1.7906 -1.7906 1.3511 1.3511 1.3541 1.3541 1.6510 1.6510 1.6545 1.6545 2.8507 2.8507 2.8573 2.8573 3.6494 3.6494 3.6633 3.6633 5.2876 5.2876 5.3009 5.3009 6.0545 6.0545 6.0569 6.0569 8.1831 8.1831 8.1996 8.1996 9.1040 9.1040 9.1168 9.1168 k = 0.3295-0.0000 0.1747 ( 4700 PWs) bands (ev): -8.5889 -8.5889 -8.5878 -8.5878 -7.1958 -7.1958 -7.1928 -7.1928 -3.3494 -3.3494 -3.3448 -3.3448 -1.9198 -1.9198 -1.9160 -1.9160 1.4114 1.4114 1.4140 1.4140 1.6974 1.6974 1.7007 1.7007 2.8497 2.8497 2.8560 2.8560 3.6115 3.6115 3.6244 3.6244 5.2956 5.2956 5.3082 5.3082 6.0515 6.0515 6.0548 6.0548 8.1728 8.1728 8.1885 8.1885 9.1116 9.1116 9.1242 9.1242 k = 0.3409-0.0000 0.1747 ( 4700 PWs) bands (ev): -8.5282 -8.5282 -8.5271 -8.5271 -7.1941 -7.1941 -7.1912 -7.1912 -3.4096 -3.4096 -3.4052 -3.4052 -2.0426 -2.0426 -2.0390 -2.0390 1.4734 1.4734 1.4757 1.4757 1.7446 1.7446 1.7478 1.7478 2.8463 2.8463 2.8524 2.8524 3.5677 3.5677 3.5798 3.5798 5.3073 5.3073 5.3192 5.3192 6.0460 6.0460 6.0502 6.0502 8.1634 8.1634 8.1782 8.1782 9.1227 9.1227 9.1342 9.1342 k = 0.3523-0.0000 0.1747 ( 4698 PWs) bands (ev): -8.4662 -8.4662 -8.4651 -8.4651 -7.1965 -7.1965 -7.1937 -7.1937 -3.4623 -3.4623 -3.4581 -3.4581 -2.1627 -2.1627 -2.1593 -2.1593 1.5371 1.5371 1.5391 1.5391 1.7924 1.7924 1.7955 1.7955 2.8405 2.8405 2.8464 2.8464 3.5186 3.5186 3.5298 3.5298 5.3226 5.3226 5.3339 5.3339 6.0380 6.0380 6.0430 6.0430 8.1558 8.1558 8.1698 8.1698 9.1348 9.1348 9.1444 9.1444 k = 0.3636-0.0000 0.1747 ( 4696 PWs) bands (ev): -8.4032 -8.4032 -8.4021 -8.4021 -7.2031 -7.2031 -7.2004 -7.2004 -3.5069 -3.5069 -3.5030 -3.5030 -2.2800 -2.2800 -2.2767 -2.2767 1.6024 1.6024 1.6041 1.6041 1.8407 1.8407 1.8438 1.8438 2.8322 2.8322 2.8379 2.8379 3.4646 3.4646 3.4749 3.4749 5.3413 5.3413 5.3520 5.3520 6.0274 6.0274 6.0331 6.0331 8.1508 8.1508 8.1639 8.1639 9.1440 9.1440 9.1503 9.1503 k = 0.3750-0.0000 0.1747 ( 4698 PWs) bands (ev): -8.3392 -8.3392 -8.3382 -8.3382 -7.2142 -7.2142 -7.2116 -7.2116 -3.5432 -3.5432 -3.5396 -3.5396 -2.3941 -2.3941 -2.3910 -2.3910 1.6690 1.6690 1.6704 1.6704 1.8892 1.8892 1.8923 1.8923 2.8214 2.8214 2.8270 2.8270 3.4062 3.4062 3.4158 3.4158 5.3632 5.3632 5.3734 5.3734 6.0142 6.0142 6.0204 6.0204 8.1492 8.1492 8.1616 8.1616 9.1443 9.1443 9.1460 9.1460 k = 0.3864-0.0000 0.1747 ( 4690 PWs) bands (ev): -8.2745 -8.2745 -8.2735 -8.2735 -7.2300 -7.2300 -7.2276 -7.2276 -3.5708 -3.5708 -3.5675 -3.5675 -2.5049 -2.5049 -2.5021 -2.5021 1.7367 1.7367 1.7379 1.7379 1.9378 1.9378 1.9409 1.9409 2.8082 2.8082 2.8136 2.8136 3.3442 3.3442 3.3529 3.3529 5.3880 5.3880 5.3978 5.3978 5.9983 5.9983 6.0051 6.0051 8.1517 8.1517 8.1634 8.1634 9.1249 9.1249 9.1284 9.1284 k = 0.3977-0.0000 0.1747 ( 4698 PWs) bands (ev): -8.2091 -8.2091 -8.2082 -8.2082 -7.2506 -7.2506 -7.2485 -7.2485 -3.5895 -3.5895 -3.5866 -3.5866 -2.6122 -2.6122 -2.6095 -2.6095 1.8053 1.8053 1.8063 1.8063 1.9861 1.9861 1.9893 1.9893 2.7926 2.7926 2.7979 2.7979 3.2790 3.2790 3.2870 3.2870 5.4153 5.4153 5.4247 5.4247 5.9799 5.9799 5.9871 5.9871 8.1588 8.1588 8.1699 8.1699 9.0843 9.0843 9.0924 9.0924 k = 0.4091-0.0000 0.1747 ( 4700 PWs) bands (ev): -8.1434 -8.1434 -8.1426 -8.1426 -7.2761 -7.2761 -7.2742 -7.2742 -3.5993 -3.5993 -3.5967 -3.5967 -2.7156 -2.7156 -2.7132 -2.7132 1.8745 1.8745 1.8753 1.8753 2.0339 2.0339 2.0372 2.0372 2.7749 2.7749 2.7801 2.7801 3.2113 3.2113 3.2186 3.2186 5.4448 5.4448 5.4539 5.4539 5.9590 5.9590 5.9665 5.9665 8.1710 8.1710 8.1816 8.1816 9.0275 9.0275 9.0382 9.0382 k = 0.4205-0.0000 0.1747 ( 4696 PWs) bands (ev): -8.0775 -8.0775 -8.0768 -8.0768 -7.3064 -7.3064 -7.3047 -7.3047 -3.6001 -3.6001 -3.5979 -3.5979 -2.8150 -2.8150 -2.8127 -2.8127 1.9437 1.9437 1.9443 1.9443 2.0807 2.0807 2.0843 2.0843 2.7556 2.7556 2.7607 2.7607 3.1420 3.1420 3.1486 3.1486 5.4761 5.4761 5.4851 5.4851 5.9357 5.9357 5.9435 5.9435 8.1885 8.1885 8.1988 8.1988 8.9601 8.9601 8.9720 8.9720 k = 0.4318-0.0000 0.1747 ( 4692 PWs) bands (ev): -8.0117 -8.0117 -8.0110 -8.0110 -7.3414 -7.3414 -7.3399 -7.3399 -3.5920 -3.5920 -3.5902 -3.5902 -2.9100 -2.9100 -2.9080 -2.9080 2.0122 2.0122 2.0128 2.0128 2.1261 2.1261 2.1300 2.1300 2.7351 2.7351 2.7402 2.7402 3.0716 3.0716 3.0775 3.0775 5.5090 5.5090 5.5178 5.5178 5.9101 5.9101 5.9181 5.9181 8.2117 8.2117 8.2217 8.2217 8.8873 8.8873 8.8996 8.8996 k = 0.4432-0.0000 0.1747 ( 4676 PWs) bands (ev): -7.9461 -7.9461 -7.9456 -7.9456 -7.3808 -7.3808 -7.3795 -7.3795 -3.5753 -3.5753 -3.5738 -3.5738 -3.0003 -3.0003 -2.9986 -2.9986 2.0790 2.0790 2.0797 2.0797 2.1694 2.1694 2.1738 2.1738 2.7147 2.7147 2.7196 2.7196 3.0011 3.0011 3.0064 3.0064 5.5431 5.5431 5.5517 5.5517 5.8824 5.8824 5.8906 5.8906 8.2406 8.2406 8.2504 8.2504 8.8127 8.8127 8.8248 8.8248 k = 0.4545-0.0000 0.1747 ( 4672 PWs) bands (ev): -7.8811 -7.8811 -7.8807 -7.8807 -7.4244 -7.4244 -7.4234 -7.4234 -3.5501 -3.5501 -3.5489 -3.5489 -3.0857 -3.0857 -3.0843 -3.0843 2.1425 2.1425 2.1434 2.1434 2.2096 2.2096 2.2146 2.2146 2.6958 2.6958 2.7006 2.7006 2.9317 2.9317 2.9362 2.9362 5.5780 5.5780 5.5866 5.5866 5.8529 5.8529 5.8611 5.8611 8.2753 8.2753 8.2851 8.2851 8.7384 8.7384 8.7503 8.7503 k = 0.4659-0.0000 0.1747 ( 4674 PWs) bands (ev): -7.8171 -7.8171 -7.8168 -7.8168 -7.4719 -7.4719 -7.4711 -7.4711 -3.5167 -3.5167 -3.5159 -3.5159 -3.1659 -3.1659 -3.1647 -3.1647 2.2001 2.2001 2.2012 2.2012 2.2453 2.2453 2.2509 2.2509 2.6814 2.6814 2.6857 2.6857 2.8649 2.8649 2.8686 2.8686 5.6135 5.6135 5.6220 5.6220 5.8216 5.8216 5.8300 5.8300 8.3157 8.3157 8.3255 8.3255 8.6661 8.6661 8.6775 8.6775 k = 0.4773-0.0000 0.1747 ( 4678 PWs) bands (ev): -7.7542 -7.7542 -7.7541 -7.7541 -7.5229 -7.5229 -7.5223 -7.5223 -3.4754 -3.4754 -3.4750 -3.4750 -3.2404 -3.2404 -3.2395 -3.2395 2.2481 2.2481 2.2493 2.2493 2.2743 2.2743 2.2800 2.2800 2.6754 2.6754 2.6789 2.6789 2.8030 2.8030 2.8057 2.8057 5.6493 5.6493 5.6577 5.6577 5.7890 5.7890 5.7973 5.7973 8.3617 8.3617 8.3717 8.3717 8.5967 8.5967 8.6078 8.6078 k = 0.4886-0.0000 0.1747 ( 4676 PWs) bands (ev): -7.6930 -7.6930 -7.6929 -7.6929 -7.5770 -7.5770 -7.5766 -7.5766 -3.4267 -3.4267 -3.4266 -3.4266 -3.3089 -3.3089 -3.3083 -3.3083 2.2823 2.2823 2.2825 2.2825 2.2931 2.2931 2.2977 2.2977 2.6833 2.6833 2.6854 2.6854 2.7496 2.7496 2.7509 2.7509 5.6850 5.6850 5.6934 5.6934 5.7551 5.7551 5.7635 5.7635 8.4132 8.4132 8.4233 8.4233 8.5311 8.5311 8.5418 8.5418 k = 0.5000-0.0000 0.1747 ( 4680 PWs) bands (ev): -7.6338 -7.6338 -7.6338 -7.6338 -7.6336 -7.6336 -7.6336 -7.6336 -3.3712 -3.3712 -3.3712 -3.3712 -3.3709 -3.3709 -3.3709 -3.3709 2.2971 2.2971 2.2971 2.2971 2.2992 2.2992 2.2992 2.2992 2.7087 2.7087 2.7087 2.7087 2.7090 2.7090 2.7090 2.7090 5.7204 5.7204 5.7204 5.7204 5.7288 5.7288 5.7288 5.7288 8.4698 8.4698 8.4698 8.4698 8.4801 8.4801 8.4801 8.4801 k = 0.5000-0.0000 0.1747 ( 4680 PWs) bands (ev): -7.6338 -7.6338 -7.6338 -7.6338 -7.6336 -7.6336 -7.6336 -7.6336 -3.3712 -3.3712 -3.3712 -3.3712 -3.3709 -3.3709 -3.3709 -3.3709 2.2971 2.2971 2.2971 2.2971 2.2992 2.2992 2.2992 2.2992 2.7087 2.7087 2.7087 2.7087 2.7090 2.7090 2.7090 2.7090 5.7204 5.7204 5.7204 5.7204 5.7288 5.7288 5.7288 5.7288 8.4698 8.4698 8.4698 8.4698 8.4801 8.4801 8.4801 8.4801 k = 0.5000 0.0115 0.1747 ( 4672 PWs) bands (ev): -7.6336 -7.6336 -7.6335 -7.6335 -7.6334 -7.6334 -7.6333 -7.6333 -3.3709 -3.3709 -3.3707 -3.3707 -3.3706 -3.3706 -3.3704 -3.3704 2.2948 2.2948 2.2956 2.2956 2.2966 2.2966 2.2980 2.2980 2.7073 2.7073 2.7076 2.7076 2.7076 2.7076 2.7086 2.7086 5.7168 5.7168 5.7173 5.7173 5.7243 5.7243 5.7266 5.7266 8.4725 8.4725 8.4761 8.4761 8.4844 8.4844 8.4848 8.4848 k = 0.5000 0.0229 0.1747 ( 4672 PWs) bands (ev): -7.6330 -7.6330 -7.6328 -7.6328 -7.6327 -7.6327 -7.6326 -7.6326 -3.3698 -3.3698 -3.3695 -3.3695 -3.3694 -3.3694 -3.3692 -3.3692 2.2888 2.2888 2.2901 2.2901 2.2903 2.2903 2.2931 2.2931 2.7033 2.7033 2.7044 2.7044 2.7044 2.7044 2.7061 2.7061 5.7067 5.7067 5.7076 5.7076 5.7131 5.7131 5.7176 5.7176 8.4841 8.4841 8.4912 8.4912 8.4976 8.4976 8.4985 8.4985 k = 0.5000 0.0344 0.1747 ( 4672 PWs) bands (ev): -7.6319 -7.6319 -7.6316 -7.6316 -7.6316 -7.6316 -7.6314 -7.6314 -3.3680 -3.3680 -3.3676 -3.3676 -3.3674 -3.3674 -3.3672 -3.3672 2.2789 2.2789 2.2799 2.2799 2.2812 2.2812 2.2842 2.2842 2.6974 2.6974 2.6991 2.6991 2.6992 2.6992 2.7015 2.7015 5.6901 5.6901 5.6915 5.6915 5.6956 5.6956 5.7023 5.7023 8.5044 8.5044 8.5149 8.5149 8.5194 8.5194 8.5206 8.5206 k = 0.5000 0.0459 0.1747 ( 4676 PWs) bands (ev): -7.6303 -7.6303 -7.6300 -7.6300 -7.6299 -7.6299 -7.6297 -7.6297 -3.3654 -3.3654 -3.3650 -3.3650 -3.3647 -3.3647 -3.3645 -3.3645 2.2652 2.2652 2.2659 2.2659 2.2682 2.2682 2.2715 2.2715 2.6897 2.6897 2.6920 2.6920 2.6922 2.6922 2.6952 2.6952 5.6676 5.6676 5.6695 5.6695 5.6720 5.6720 5.6809 5.6809 8.5325 8.5325 8.5465 8.5465 8.5490 8.5490 8.5506 8.5506 k = 0.5000 0.0573 0.1747 ( 4688 PWs) bands (ev): -7.6283 -7.6283 -7.6280 -7.6280 -7.6278 -7.6278 -7.6276 -7.6276 -3.3621 -3.3621 -3.3617 -3.3617 -3.3612 -3.3612 -3.3610 -3.3610 2.2477 2.2477 2.2480 2.2480 2.2513 2.2513 2.2548 2.2548 2.6804 2.6804 2.6833 2.6833 2.6838 2.6838 2.6873 2.6873 5.6395 5.6395 5.6421 5.6421 5.6429 5.6429 5.6539 5.6539 8.5678 8.5678 8.5850 8.5850 8.5857 8.5857 8.5876 8.5876 k = 0.5000 0.0688 0.1747 ( 4688 PWs) bands (ev): -7.6258 -7.6258 -7.6256 -7.6256 -7.6252 -7.6252 -7.6251 -7.6251 -3.3581 -3.3581 -3.3576 -3.3576 -3.3570 -3.3570 -3.3568 -3.3568 2.2263 2.2263 2.2263 2.2263 2.2306 2.2306 2.2342 2.2342 2.6698 2.6698 2.6732 2.6732 2.6742 2.6742 2.6782 2.6782 5.6065 5.6065 5.6090 5.6090 5.6099 5.6099 5.6220 5.6220 8.6091 8.6091 8.6282 8.6282 8.6294 8.6294 8.6304 8.6304 k = 0.5000 0.0803 0.1747 ( 4692 PWs) bands (ev): -7.6229 -7.6229 -7.6227 -7.6227 -7.6223 -7.6223 -7.6221 -7.6221 -3.3533 -3.3533 -3.3529 -3.3529 -3.3521 -3.3521 -3.3520 -3.3520 2.2009 2.2009 2.2012 2.2012 2.2060 2.2060 2.2097 2.2097 2.6582 2.6582 2.6621 2.6621 2.6636 2.6636 2.6681 2.6681 5.5692 5.5692 5.5708 5.5708 5.5734 5.5734 5.5857 5.5857 8.6551 8.6551 8.6754 8.6754 8.6778 8.6778 8.6783 8.6783 k = 0.5000 0.0917 0.1747 ( 4704 PWs) bands (ev): -7.6197 -7.6197 -7.6194 -7.6194 -7.6189 -7.6189 -7.6188 -7.6188 -3.3480 -3.3480 -3.3475 -3.3475 -3.3466 -3.3466 -3.3464 -3.3464 2.1720 2.1720 2.1725 2.1725 2.1778 2.1778 2.1814 2.1814 2.6458 2.6458 2.6501 2.6501 2.6524 2.6524 2.6572 2.6572 5.5283 5.5283 5.5291 5.5291 5.5334 5.5334 5.5458 5.5458 8.7044 8.7044 8.7257 8.7257 8.7281 8.7281 8.7302 8.7302 k = 0.5000 0.1032 0.1747 ( 4684 PWs) bands (ev): -7.6160 -7.6160 -7.6158 -7.6158 -7.6152 -7.6152 -7.6150 -7.6150 -3.3420 -3.3420 -3.3415 -3.3415 -3.3404 -3.3404 -3.3403 -3.3403 2.1396 2.1396 2.1404 2.1404 2.1461 2.1461 2.1497 2.1497 2.6329 2.6329 2.6375 2.6375 2.6406 2.6406 2.6457 2.6457 5.4845 5.4845 5.4845 5.4845 5.4905 5.4905 5.5030 5.5030 8.7554 8.7554 8.7775 8.7775 8.7796 8.7796 8.7835 8.7835 k = 0.5000 0.1147 0.1747 ( 4688 PWs) bands (ev): -7.6120 -7.6120 -7.6118 -7.6118 -7.6111 -7.6111 -7.6109 -7.6109 -3.3354 -3.3354 -3.3349 -3.3349 -3.3336 -3.3336 -3.3335 -3.3335 2.1042 2.1042 2.1052 2.1052 2.1113 2.1113 2.1147 2.1147 2.6194 2.6194 2.6243 2.6243 2.6285 2.6285 2.6337 2.6337 5.4377 5.4377 5.4384 5.4384 5.4455 5.4455 5.4579 5.4579 8.8063 8.8063 8.8289 8.8289 8.8307 8.8307 8.8362 8.8362 k = 0.5000 0.1261 0.1747 ( 4688 PWs) bands (ev): -7.6077 -7.6077 -7.6075 -7.6075 -7.6067 -7.6067 -7.6065 -7.6065 -3.3282 -3.3282 -3.3277 -3.3277 -3.3263 -3.3263 -3.3262 -3.3262 2.0660 2.0660 2.0671 2.0671 2.0736 2.0736 2.0768 2.0768 2.6055 2.6055 2.6107 2.6107 2.6160 2.6160 2.6214 2.6214 5.3894 5.3894 5.3906 5.3906 5.3989 5.3989 5.4111 5.4111 8.8554 8.8554 8.8783 8.8783 8.8794 8.8794 8.8866 8.8866 k = 0.5000 0.1376 0.1747 ( 4684 PWs) bands (ev): -7.6031 -7.6031 -7.6029 -7.6029 -7.6020 -7.6020 -7.6018 -7.6018 -3.3205 -3.3205 -3.3200 -3.3200 -3.3185 -3.3185 -3.3184 -3.3184 2.0254 2.0254 2.0267 2.0267 2.0335 2.0335 2.0365 2.0365 2.5913 2.5913 2.5966 2.5966 2.6032 2.6032 2.6086 2.6086 5.3402 5.3402 5.3419 5.3419 5.3514 5.3514 5.3634 5.3634 8.9012 8.9012 8.9240 8.9240 8.9241 8.9241 8.9330 8.9330 k = 0.5000 0.1491 0.1747 ( 4680 PWs) bands (ev): -7.5982 -7.5982 -7.5980 -7.5980 -7.5970 -7.5970 -7.5969 -7.5969 -3.3124 -3.3124 -3.3119 -3.3119 -3.3102 -3.3102 -3.3101 -3.3101 1.9829 1.9829 1.9843 1.9843 1.9914 1.9914 1.9941 1.9941 2.5767 2.5767 2.5822 2.5822 2.5901 2.5901 2.5955 2.5955 5.2906 5.2906 5.2927 5.2927 5.3034 5.3034 5.3152 5.3152 8.9422 8.9422 8.9636 8.9636 8.9647 8.9647 8.9740 8.9740 k = 0.5000 0.1605 0.1747 ( 4688 PWs) bands (ev): -7.5931 -7.5931 -7.5929 -7.5929 -7.5918 -7.5918 -7.5917 -7.5917 -3.3039 -3.3039 -3.3033 -3.3033 -3.3015 -3.3015 -3.3014 -3.3014 1.9389 1.9389 1.9403 1.9403 1.9476 1.9476 1.9501 1.9501 2.5618 2.5618 2.5674 2.5674 2.5767 2.5767 2.5821 2.5821 5.2411 5.2411 5.2437 5.2437 5.2556 5.2556 5.2671 5.2671 8.9775 8.9775 8.9970 8.9970 8.9993 8.9993 9.0087 9.0087 k = 0.5000 0.1720 0.1747 ( 4688 PWs) bands (ev): -7.5878 -7.5878 -7.5876 -7.5876 -7.5865 -7.5865 -7.5863 -7.5863 -3.2950 -3.2950 -3.2944 -3.2944 -3.2925 -3.2925 -3.2924 -3.2924 1.8937 1.8937 1.8952 1.8952 1.9028 1.9028 1.9049 1.9049 2.5465 2.5465 2.5521 2.5521 2.5629 2.5629 2.5682 2.5682 5.1923 5.1923 5.1951 5.1951 5.2084 5.2084 5.2195 5.2195 9.0066 9.0066 9.0238 9.0238 9.0276 9.0276 9.0365 9.0365 k = 0.5000 0.1835 0.1747 ( 4692 PWs) bands (ev): -7.5823 -7.5823 -7.5821 -7.5821 -7.5809 -7.5809 -7.5808 -7.5808 -3.2859 -3.2859 -3.2853 -3.2853 -3.2832 -3.2832 -3.2831 -3.2831 1.8478 1.8478 1.8494 1.8494 1.8572 1.8572 1.8591 1.8591 2.5309 2.5309 2.5365 2.5365 2.5487 2.5487 2.5539 2.5539 5.1445 5.1445 5.1476 5.1476 5.1621 5.1621 5.1729 5.1729 9.0294 9.0294 9.0442 9.0442 9.0493 9.0493 9.0576 9.0576 k = 0.5000 0.1949 0.1747 ( 4696 PWs) bands (ev): -7.5767 -7.5767 -7.5765 -7.5765 -7.5752 -7.5752 -7.5751 -7.5751 -3.2765 -3.2765 -3.2759 -3.2759 -3.2736 -3.2736 -3.2736 -3.2736 1.8017 1.8017 1.8032 1.8032 1.8112 1.8112 1.8129 1.8129 2.5148 2.5148 2.5204 2.5204 2.5341 2.5341 2.5392 2.5392 5.0981 5.0981 5.1013 5.1013 5.1172 5.1172 5.1276 5.1276 9.0462 9.0462 9.0586 9.0586 9.0649 9.0649 9.0724 9.0724 k = 0.5000 0.2064 0.1747 ( 4704 PWs) bands (ev): -7.5711 -7.5711 -7.5709 -7.5709 -7.5695 -7.5695 -7.5694 -7.5694 -3.2669 -3.2669 -3.2663 -3.2663 -3.2639 -3.2639 -3.2639 -3.2639 1.7556 1.7556 1.7572 1.7572 1.7653 1.7653 1.7667 1.7667 2.4985 2.4985 2.5040 2.5040 2.5192 2.5192 2.5241 2.5241 5.0533 5.0533 5.0567 5.0567 5.0740 5.0740 5.0840 5.0840 9.0575 9.0575 9.0676 9.0676 9.0750 9.0750 9.0815 9.0815 k = 0.5000 0.2179 0.1747 ( 4712 PWs) bands (ev): -7.5653 -7.5653 -7.5652 -7.5652 -7.5637 -7.5637 -7.5636 -7.5636 -3.2572 -3.2572 -3.2566 -3.2566 -3.2541 -3.2541 -3.2541 -3.2541 1.7100 1.7100 1.7116 1.7116 1.7199 1.7199 1.7211 1.7211 2.4818 2.4818 2.4872 2.4872 2.5039 2.5039 2.5086 2.5086 5.0106 5.0106 5.0140 5.0140 5.0326 5.0326 5.0422 5.0422 9.0640 9.0640 9.0719 9.0719 9.0802 9.0802 9.0858 9.0858 k = 0.5000 0.2293 0.1747 ( 4716 PWs) bands (ev): -7.5596 -7.5596 -7.5594 -7.5594 -7.5579 -7.5579 -7.5578 -7.5578 -3.2476 -3.2476 -3.2469 -3.2469 -3.2443 -3.2443 -3.2443 -3.2443 1.6652 1.6652 1.6668 1.6668 1.6752 1.6752 1.6762 1.6762 2.4649 2.4649 2.4702 2.4702 2.4883 2.4883 2.4928 2.4928 4.9700 4.9700 4.9735 4.9735 4.9933 4.9933 5.0025 5.0025 9.0664 9.0664 9.0723 9.0723 9.0814 9.0814 9.0859 9.0859 k = 0.5000 0.2408 0.1747 ( 4716 PWs) bands (ev): -7.5539 -7.5539 -7.5538 -7.5538 -7.5522 -7.5522 -7.5521 -7.5521 -3.2379 -3.2379 -3.2373 -3.2373 -3.2346 -3.2346 -3.2345 -3.2345 1.6215 1.6215 1.6230 1.6230 1.6316 1.6316 1.6323 1.6323 2.4478 2.4478 2.4529 2.4529 2.4725 2.4725 2.4767 2.4767 4.9317 4.9317 4.9352 4.9352 4.9563 4.9563 4.9650 4.9650 9.0654 9.0654 9.0696 9.0696 9.0792 9.0792 9.0827 9.0827 k = 0.5000 0.2523 0.1747 ( 4720 PWs) bands (ev): -7.5483 -7.5483 -7.5482 -7.5482 -7.5465 -7.5465 -7.5464 -7.5464 -3.2284 -3.2284 -3.2278 -3.2278 -3.2249 -3.2249 -3.2248 -3.2248 1.5792 1.5792 1.5807 1.5807 1.5893 1.5893 1.5899 1.5899 2.4306 2.4306 2.4356 2.4356 2.4565 2.4565 2.4606 2.4606 4.8959 4.8959 4.8994 4.8994 4.9217 4.9217 4.9299 4.9299 9.0617 9.0617 9.0643 9.0643 9.0743 9.0743 9.0769 9.0769 k = 0.5000 0.2637 0.1747 ( 4720 PWs) bands (ev): -7.5429 -7.5429 -7.5427 -7.5427 -7.5410 -7.5410 -7.5409 -7.5409 -3.2190 -3.2190 -3.2184 -3.2184 -3.2154 -3.2154 -3.2154 -3.2154 1.5385 1.5385 1.5399 1.5399 1.5487 1.5487 1.5491 1.5491 2.4135 2.4135 2.4183 2.4183 2.4405 2.4405 2.4443 2.4443 4.8627 4.8627 4.8660 4.8660 4.8896 4.8896 4.8973 4.8973 9.0559 9.0559 9.0571 9.0571 9.0674 9.0674 9.0690 9.0690 k = 0.5000 0.2752 0.1747 ( 4724 PWs) bands (ev): -7.5376 -7.5376 -7.5374 -7.5374 -7.5356 -7.5356 -7.5355 -7.5355 -3.2099 -3.2099 -3.2094 -3.2094 -3.2062 -3.2062 -3.2062 -3.2062 1.4997 1.4997 1.5011 1.5011 1.5099 1.5099 1.5102 1.5102 2.3966 2.3966 2.4011 2.4011 2.4247 2.4247 2.4282 2.4282 4.8320 4.8320 4.8352 4.8352 4.8600 4.8600 4.8672 4.8672 9.0484 9.0484 9.0485 9.0485 9.0589 9.0589 9.0596 9.0596 k = 0.5000 0.2867 0.1747 ( 4720 PWs) bands (ev): -7.5325 -7.5325 -7.5323 -7.5323 -7.5304 -7.5304 -7.5304 -7.5304 -3.2012 -3.2012 -3.2006 -3.2006 -3.1974 -3.1974 -3.1973 -3.1973 1.4629 1.4629 1.4643 1.4643 1.4731 1.4731 1.4733 1.4733 2.3800 2.3800 2.3843 2.3843 2.4091 2.4091 2.4124 2.4124 4.8039 4.8039 4.8069 4.8069 4.8328 4.8328 4.8396 4.8396 9.0389 9.0389 9.0399 9.0399 9.0493 9.0493 9.0493 9.0493 k = 0.5000 0.2981 0.1747 ( 4712 PWs) bands (ev): -7.5276 -7.5276 -7.5275 -7.5275 -7.5255 -7.5255 -7.5255 -7.5255 -3.1928 -3.1928 -3.1923 -3.1923 -3.1889 -3.1889 -3.1889 -3.1889 1.4285 1.4285 1.4298 1.4298 1.4387 1.4387 1.4388 1.4388 2.3640 2.3640 2.3680 2.3680 2.3939 2.3939 2.3970 2.3970 4.7784 4.7784 4.7813 4.7813 4.8082 4.8082 4.8144 4.8144 9.0288 9.0288 9.0306 9.0306 9.0384 9.0384 9.0391 9.0391 k = 0.5000 0.3096 0.1747 ( 4716 PWs) bands (ev): -7.5230 -7.5230 -7.5229 -7.5229 -7.5209 -7.5209 -7.5208 -7.5208 -3.1849 -3.1849 -3.1844 -3.1844 -3.1809 -3.1809 -3.1809 -3.1809 1.3966 1.3966 1.3978 1.3978 1.4067 1.4067 1.4067 1.4067 2.3486 2.3486 2.3523 2.3523 2.3793 2.3793 2.3821 2.3821 4.7554 4.7554 4.7581 4.7581 4.7861 4.7861 4.7918 4.7918 9.0185 9.0185 9.0210 9.0210 9.0272 9.0272 9.0286 9.0286 k = 0.5000 0.3210 0.1747 ( 4716 PWs) bands (ev): -7.5188 -7.5188 -7.5187 -7.5187 -7.5166 -7.5166 -7.5166 -7.5166 -3.1775 -3.1775 -3.1771 -3.1771 -3.1735 -3.1735 -3.1734 -3.1734 1.3672 1.3672 1.3683 1.3683 1.3773 1.3773 1.3773 1.3773 2.3340 2.3340 2.3375 2.3375 2.3655 2.3655 2.3680 2.3680 4.7349 4.7349 4.7374 4.7374 4.7664 4.7664 4.7715 4.7715 9.0083 9.0083 9.0115 9.0115 9.0162 9.0162 9.0182 9.0182 k = 0.5000 0.3325 0.1747 ( 4716 PWs) bands (ev): -7.5148 -7.5148 -7.5148 -7.5148 -7.5127 -7.5127 -7.5126 -7.5126 -3.1707 -3.1707 -3.1703 -3.1703 -3.1667 -3.1667 -3.1666 -3.1666 1.3406 1.3406 1.3416 1.3416 1.3506 1.3506 1.3507 1.3507 2.3205 2.3205 2.3236 2.3236 2.3526 2.3526 2.3548 2.3548 4.7169 4.7169 4.7192 4.7192 4.7490 4.7490 4.7536 4.7536 8.9985 8.9985 9.0022 9.0022 9.0055 9.0055 9.0081 9.0081 k = 0.5000 0.3440 0.1747 ( 4728 PWs) bands (ev): -7.5113 -7.5113 -7.5112 -7.5112 -7.5091 -7.5091 -7.5091 -7.5091 -3.1646 -3.1646 -3.1642 -3.1642 -3.1605 -3.1605 -3.1604 -3.1604 1.3169 1.3169 1.3178 1.3178 1.3268 1.3268 1.3269 1.3269 2.3082 2.3082 2.3109 2.3109 2.3408 2.3408 2.3427 2.3427 4.7012 4.7012 4.7032 4.7032 4.7340 4.7340 4.7380 4.7380 8.9894 8.9894 8.9935 8.9935 8.9955 8.9955 8.9985 8.9985 k = 0.5000 0.3554 0.1747 ( 4720 PWs) bands (ev): -7.5082 -7.5082 -7.5081 -7.5081 -7.5059 -7.5059 -7.5059 -7.5059 -3.1592 -3.1592 -3.1588 -3.1588 -3.1550 -3.1550 -3.1550 -3.1550 1.2961 1.2961 1.2969 1.2969 1.3059 1.3059 1.3060 1.3060 2.2971 2.2971 2.2995 2.2995 2.3302 2.3302 2.3319 2.3319 4.6879 4.6879 4.6896 4.6896 4.7212 4.7212 4.7246 4.7246 8.9811 8.9811 8.9855 8.9855 8.9864 8.9864 8.9898 8.9898 k = 0.5000 0.3669 0.1747 ( 4712 PWs) bands (ev): -7.5055 -7.5055 -7.5055 -7.5055 -7.5032 -7.5032 -7.5032 -7.5032 -3.1545 -3.1545 -3.1542 -3.1542 -3.1503 -3.1503 -3.1502 -3.1502 1.2785 1.2785 1.2791 1.2791 1.2882 1.2882 1.2883 1.2883 2.2876 2.2876 2.2896 2.2896 2.3211 2.3211 2.3224 2.3224 4.6767 4.6767 4.6782 4.6782 4.7105 4.7105 4.7134 4.7134 8.9739 8.9739 8.9783 8.9783 8.9785 8.9785 8.9821 8.9821 k = 0.5000 0.3784 0.1747 ( 4716 PWs) bands (ev): -7.5033 -7.5033 -7.5032 -7.5032 -7.5010 -7.5010 -7.5010 -7.5010 -3.1506 -3.1506 -3.1504 -3.1504 -3.1464 -3.1464 -3.1463 -3.1463 1.2639 1.2639 1.2645 1.2645 1.2735 1.2735 1.2736 1.2736 2.2796 2.2796 2.2812 2.2812 2.3134 2.3134 2.3145 2.3145 4.6677 4.6677 4.6689 4.6689 4.7019 4.7019 4.7042 4.7042 8.9678 8.9678 8.9713 8.9713 8.9727 8.9727 8.9755 8.9755 k = 0.5000 0.3898 0.1747 ( 4708 PWs) bands (ev): -7.5015 -7.5015 -7.5015 -7.5015 -7.4992 -7.4992 -7.4992 -7.4992 -3.1475 -3.1475 -3.1473 -3.1473 -3.1433 -3.1433 -3.1433 -3.1433 1.2525 1.2525 1.2530 1.2530 1.2621 1.2621 1.2622 1.2622 2.2734 2.2734 2.2746 2.2746 2.3073 2.3073 2.3082 2.3082 4.6608 4.6608 4.6617 4.6617 4.6954 4.6954 4.6971 4.6971 8.9631 8.9631 8.9657 8.9657 8.9680 8.9680 8.9701 8.9701 k = 0.5000 0.4013 0.1747 ( 4712 PWs) bands (ev): -7.5003 -7.5003 -7.5002 -7.5002 -7.4980 -7.4980 -7.4979 -7.4979 -3.1453 -3.1453 -3.1452 -3.1452 -3.1411 -3.1411 -3.1410 -3.1410 1.2444 1.2444 1.2447 1.2447 1.2539 1.2539 1.2540 1.2540 2.2689 2.2689 2.2697 2.2697 2.3030 2.3030 2.3035 2.3035 4.6560 4.6560 4.6566 4.6566 4.6908 4.6908 4.6920 4.6920 8.9598 8.9598 8.9615 8.9615 8.9648 8.9648 8.9662 8.9662 k = 0.5000 0.4128 0.1747 ( 4708 PWs) bands (ev): -7.4995 -7.4995 -7.4995 -7.4995 -7.4972 -7.4972 -7.4972 -7.4972 -3.1439 -3.1439 -3.1439 -3.1439 -3.1397 -3.1397 -3.1397 -3.1397 1.2396 1.2396 1.2397 1.2397 1.2490 1.2490 1.2490 1.2490 2.2663 2.2663 2.2667 2.2667 2.3004 2.3004 2.3007 2.3007 4.6532 4.6532 4.6535 4.6535 4.6882 4.6882 4.6888 4.6888 8.9579 8.9579 8.9588 8.9588 8.9629 8.9629 8.9636 8.9636 k = 0.5000 0.4242 0.1747 ( 4720 PWs) bands (ev): -7.4992 -7.4992 -7.4992 -7.4992 -7.4969 -7.4969 -7.4969 -7.4969 -3.1435 -3.1435 -3.1435 -3.1435 -3.1393 -3.1393 -3.1393 -3.1393 1.2380 1.2380 1.2380 1.2380 1.2473 1.2473 1.2473 1.2473 2.2655 2.2655 2.2655 2.2655 2.2996 2.2996 2.2996 2.2996 4.6523 4.6523 4.6523 4.6523 4.6875 4.6875 4.6875 4.6875 8.9576 8.9576 8.9576 8.9576 8.9625 8.9625 8.9625 8.9625 k = 0.5000 0.4242 0.1747 ( 4720 PWs) bands (ev): -7.4992 -7.4992 -7.4992 -7.4992 -7.4969 -7.4969 -7.4969 -7.4969 -3.1435 -3.1435 -3.1435 -3.1435 -3.1393 -3.1393 -3.1393 -3.1393 1.2380 1.2380 1.2380 1.2380 1.2473 1.2473 1.2473 1.2473 2.2655 2.2655 2.2655 2.2655 2.2996 2.2996 2.2996 2.2996 4.6523 4.6523 4.6523 4.6523 4.6875 4.6875 4.6875 4.6875 8.9576 8.9576 8.9576 8.9576 8.9625 8.9625 8.9625 8.9625 k = 0.4886 0.4242 0.1747 ( 4720 PWs) bands (ev): -7.5526 -7.5526 -7.5526 -7.5526 -7.4460 -7.4460 -7.4460 -7.4460 -3.1923 -3.1923 -3.1923 -3.1923 -3.0842 -3.0842 -3.0842 -3.0842 1.1765 1.1765 1.1765 1.1765 1.3035 1.3035 1.3035 1.3035 2.2241 2.2241 2.2241 2.2241 2.3481 2.3481 2.3481 2.3481 4.5963 4.5963 4.5963 4.5963 4.7462 4.7462 4.7462 4.7462 8.8835 8.8835 8.8835 8.8835 9.0393 9.0393 9.0393 9.0393 k = 0.4773 0.4242 0.1747 ( 4716 PWs) bands (ev): -7.6091 -7.6091 -7.6091 -7.6091 -7.3967 -7.3967 -7.3967 -7.3967 -3.2367 -3.2367 -3.2367 -3.2367 -3.0212 -3.0212 -3.0212 -3.0212 1.1074 1.1074 1.1074 1.1074 1.3558 1.3558 1.3558 1.3558 2.1790 2.1790 2.1790 2.1790 2.4152 2.4152 2.4152 2.4152 4.5289 4.5289 4.5289 4.5289 4.8218 4.8218 4.8218 4.8218 8.8100 8.8100 8.8100 8.8100 9.1210 9.1210 9.1210 9.1210 k = 0.4659 0.4242 0.1747 ( 4712 PWs) bands (ev): -7.6674 -7.6674 -7.6674 -7.6674 -7.3504 -7.3504 -7.3504 -7.3504 -3.2742 -3.2742 -3.2742 -3.2742 -2.9528 -2.9528 -2.9528 -2.9528 1.0364 1.0364 1.0364 1.0364 1.3964 1.3964 1.3964 1.3964 2.1463 2.1463 2.1463 2.1463 2.4866 2.4866 2.4866 2.4866 4.4642 4.4642 4.4642 4.4642 4.9001 4.9001 4.9001 4.9001 8.7397 8.7397 8.7397 8.7397 9.2049 9.2049 9.2049 9.2049 k = 0.4545 0.4242 0.1747 ( 4720 PWs) bands (ev): -7.7270 -7.7270 -7.7270 -7.7270 -7.3076 -7.3076 -7.3076 -7.3076 -3.3046 -3.3046 -3.3046 -3.3046 -2.8792 -2.8792 -2.8792 -2.8792 0.9649 0.9649 0.9649 0.9649 1.4216 1.4216 1.4216 1.4216 2.1300 2.1300 2.1300 2.1300 2.5608 2.5608 2.5608 2.5608 4.4033 4.4033 4.4033 4.4033 4.9804 4.9804 4.9804 4.9804 8.6727 8.6727 8.6727 8.6727 9.2908 9.2908 9.2908 9.2908 k = 0.4432 0.4242 0.1747 ( 4720 PWs) bands (ev): -7.7878 -7.7878 -7.7878 -7.7878 -7.2685 -7.2685 -7.2685 -7.2685 -3.3276 -3.3276 -3.3276 -3.3276 -2.8009 -2.8009 -2.8009 -2.8009 0.8936 0.8936 0.8936 0.8936 1.4289 1.4289 1.4289 1.4289 2.1322 2.1322 2.1322 2.1322 2.6367 2.6367 2.6367 2.6367 4.3468 4.3468 4.3468 4.3468 5.0625 5.0625 5.0625 5.0625 8.6093 8.6093 8.6093 8.6093 9.3782 9.3782 9.3782 9.3782 k = 0.4318 0.4242 0.1747 ( 4716 PWs) bands (ev): -7.8493 -7.8493 -7.8493 -7.8493 -7.2334 -7.2334 -7.2334 -7.2334 -3.3430 -3.3430 -3.3430 -3.3430 -2.7182 -2.7182 -2.7182 -2.7182 0.8232 0.8232 0.8232 0.8232 1.4188 1.4188 1.4188 1.4188 2.1520 2.1520 2.1520 2.1520 2.7136 2.7136 2.7136 2.7136 4.2953 4.2953 4.2953 4.2953 5.1460 5.1460 5.1460 5.1460 8.5497 8.5497 8.5497 8.5497 9.4670 9.4670 9.4670 9.4670 k = 0.4205 0.4242 0.1747 ( 4716 PWs) bands (ev): -7.9113 -7.9113 -7.9113 -7.9113 -7.2024 -7.2024 -7.2024 -7.2024 -3.3507 -3.3507 -3.3507 -3.3507 -2.6315 -2.6315 -2.6315 -2.6315 0.7542 0.7542 0.7542 0.7542 1.3942 1.3942 1.3942 1.3942 2.1859 2.1859 2.1859 2.1859 2.7910 2.7910 2.7910 2.7910 4.2496 4.2496 4.2496 4.2496 5.2307 5.2307 5.2307 5.2307 8.4940 8.4940 8.4940 8.4940 9.5566 9.5566 9.5566 9.5566 k = 0.4091 0.4242 0.1747 ( 4708 PWs) bands (ev): -7.9736 -7.9736 -7.9736 -7.9736 -7.1758 -7.1758 -7.1758 -7.1758 -3.3506 -3.3506 -3.3506 -3.3506 -2.5412 -2.5412 -2.5412 -2.5412 0.6870 0.6870 0.6870 0.6870 1.3592 1.3592 1.3592 1.3592 2.2294 2.2294 2.2294 2.2294 2.8684 2.8684 2.8684 2.8684 4.2106 4.2106 4.2106 4.2106 5.3166 5.3166 5.3166 5.3166 8.4424 8.4424 8.4424 8.4424 9.6466 9.6466 9.6466 9.6466 k = 0.3977 0.4242 0.1747 ( 4712 PWs) bands (ev): -8.0358 -8.0358 -8.0358 -8.0358 -7.1536 -7.1536 -7.1536 -7.1536 -3.3429 -3.3429 -3.3429 -3.3429 -2.4476 -2.4476 -2.4476 -2.4476 0.6219 0.6219 0.6219 0.6219 1.3174 1.3174 1.3174 1.3174 2.2778 2.2778 2.2778 2.2778 2.9452 2.9452 2.9452 2.9452 4.1792 4.1792 4.1792 4.1792 5.4033 5.4033 5.4033 5.4033 8.3949 8.3949 8.3949 8.3949 9.7365 9.7365 9.7365 9.7365 k = 0.3864 0.4242 0.1747 ( 4716 PWs) bands (ev): -8.0979 -8.0979 -8.0979 -8.0979 -7.1358 -7.1358 -7.1358 -7.1358 -3.3275 -3.3275 -3.3275 -3.3275 -2.3511 -2.3511 -2.3511 -2.3511 0.5594 0.5594 0.5594 0.5594 1.2719 1.2719 1.2719 1.2719 2.3275 2.3275 2.3275 2.3275 3.0211 3.0211 3.0211 3.0211 4.1563 4.1563 4.1563 4.1563 5.4908 5.4908 5.4908 5.4908 8.3517 8.3517 8.3517 8.3517 9.8258 9.8258 9.8258 9.8258 k = 0.3750 0.4242 0.1747 ( 4704 PWs) bands (ev): -8.1596 -8.1596 -8.1596 -8.1596 -7.1224 -7.1224 -7.1224 -7.1224 -3.3048 -3.3048 -3.3048 -3.3048 -2.2521 -2.2521 -2.2521 -2.2521 0.4997 0.4997 0.4997 0.4997 1.2247 1.2247 1.2247 1.2247 2.3756 2.3756 2.3756 2.3756 3.0955 3.0955 3.0955 3.0955 4.1430 4.1430 4.1430 4.1430 5.5790 5.5790 5.5790 5.5790 8.3129 8.3129 8.3129 8.3129 9.9137 9.9137 9.9137 9.9137 k = 0.3636 0.4242 0.1747 ( 4708 PWs) bands (ev): -8.2207 -8.2207 -8.2207 -8.2207 -7.1133 -7.1133 -7.1133 -7.1133 -3.2750 -3.2750 -3.2750 -3.2750 -2.1511 -2.1511 -2.1511 -2.1511 0.4432 0.4432 0.4432 0.4432 1.1774 1.1774 1.1774 1.1774 2.4196 2.4196 2.4196 2.4196 3.1682 3.1682 3.1682 3.1682 4.1403 4.1403 4.1403 4.1403 5.6676 5.6676 5.6676 5.6676 8.2784 8.2784 8.2784 8.2784 9.9993 9.9993 9.9993 9.9993 k = 0.3523 0.4242 0.1747 ( 4704 PWs) bands (ev): -8.2810 -8.2810 -8.2810 -8.2810 -7.1082 -7.1082 -7.1082 -7.1082 -3.2386 -3.2386 -3.2386 -3.2386 -2.0485 -2.0485 -2.0485 -2.0485 0.3901 0.3901 0.3901 0.3901 1.1312 1.1312 1.1312 1.1312 2.4580 2.4580 2.4580 2.4580 3.2387 3.2387 3.2387 3.2387 4.1489 4.1489 4.1489 4.1489 5.7567 5.7567 5.7567 5.7567 8.2481 8.2481 8.2481 8.2481 10.0815 10.0815 10.0815 10.0815 k = 0.3409 0.4242 0.1747 ( 4704 PWs) bands (ev): -8.3405 -8.3405 -8.3405 -8.3405 -7.1070 -7.1070 -7.1070 -7.1070 -3.1961 -3.1961 -3.1961 -3.1961 -1.9448 -1.9448 -1.9448 -1.9448 0.3408 0.3408 0.3408 0.3408 1.0869 1.0869 1.0869 1.0869 2.4895 2.4895 2.4895 2.4895 3.3067 3.3067 3.3067 3.3067 4.1694 4.1694 4.1694 4.1694 5.8460 5.8460 5.8460 5.8460 8.2220 8.2220 8.2220 8.2220 10.1592 10.1592 10.1592 10.1592 k = 0.3295 0.4242 0.1747 ( 4700 PWs) bands (ev): -8.3989 -8.3989 -8.3989 -8.3989 -7.1093 -7.1093 -7.1093 -7.1093 -3.1480 -3.1480 -3.1480 -3.1480 -1.8405 -1.8405 -1.8405 -1.8405 0.2956 0.2956 0.2956 0.2956 1.0453 1.0453 1.0453 1.0453 2.5135 2.5135 2.5135 2.5135 3.3717 3.3717 3.3717 3.3717 4.2019 4.2019 4.2019 4.2019 5.9355 5.9355 5.9355 5.9355 8.1999 8.1999 8.1999 8.1999 10.2304 10.2304 10.2304 10.2304 k = 0.3182 0.4242 0.1747 ( 4696 PWs) bands (ev): -8.4561 -8.4561 -8.4561 -8.4561 -7.1148 -7.1148 -7.1148 -7.1148 -3.0949 -3.0949 -3.0949 -3.0949 -1.7363 -1.7363 -1.7363 -1.7363 0.2548 0.2548 0.2548 0.2548 1.0071 1.0071 1.0071 1.0071 2.5300 2.5300 2.5300 2.5300 3.4335 3.4335 3.4335 3.4335 4.2461 4.2461 4.2461 4.2461 6.0250 6.0250 6.0250 6.0250 8.1815 8.1815 8.1815 8.1815 10.2930 10.2930 10.2930 10.2930 k = 0.3068 0.4242 0.1747 ( 4700 PWs) bands (ev): -8.5120 -8.5120 -8.5120 -8.5120 -7.1233 -7.1233 -7.1233 -7.1233 -3.0376 -3.0376 -3.0376 -3.0376 -1.6327 -1.6327 -1.6327 -1.6327 0.2187 0.2187 0.2187 0.2187 0.9732 0.9732 0.9732 0.9732 2.5392 2.5392 2.5392 2.5392 3.4917 3.4917 3.4917 3.4917 4.3013 4.3013 4.3013 4.3013 6.1143 6.1143 6.1143 6.1143 8.1663 8.1663 8.1663 8.1663 10.3436 10.3436 10.3436 10.3436 k = 0.2955 0.4242 0.1747 ( 4696 PWs) bands (ev): -8.5666 -8.5666 -8.5666 -8.5666 -7.1343 -7.1343 -7.1343 -7.1343 -2.9769 -2.9769 -2.9769 -2.9769 -1.5305 -1.5305 -1.5305 -1.5305 0.1879 0.1879 0.1879 0.1879 0.9440 0.9440 0.9440 0.9440 2.5419 2.5419 2.5419 2.5419 3.5460 3.5460 3.5460 3.5460 4.3665 4.3665 4.3665 4.3665 6.2033 6.2033 6.2033 6.2033 8.1539 8.1539 8.1539 8.1539 10.3693 10.3693 10.3693 10.3693 k = 0.2841 0.4242 0.1747 ( 4696 PWs) bands (ev): -8.6197 -8.6197 -8.6197 -8.6197 -7.1476 -7.1476 -7.1476 -7.1476 -2.9134 -2.9134 -2.9134 -2.9134 -1.4305 -1.4305 -1.4305 -1.4305 0.1626 0.1626 0.1626 0.1626 0.9203 0.9203 0.9203 0.9203 2.5390 2.5390 2.5390 2.5390 3.5962 3.5962 3.5962 3.5962 4.4406 4.4406 4.4406 4.4406 6.2916 6.2916 6.2916 6.2916 8.1433 8.1433 8.1433 8.1433 10.2243 10.2243 10.2243 10.2243 k = 0.2727 0.4242 0.1747 ( 4692 PWs) bands (ev): -8.6712 -8.6712 -8.6712 -8.6712 -7.1627 -7.1627 -7.1627 -7.1627 -2.8481 -2.8481 -2.8481 -2.8481 -1.3336 -1.3336 -1.3336 -1.3336 0.1433 0.1433 0.1433 0.1433 0.9029 0.9029 0.9029 0.9029 2.5316 2.5316 2.5316 2.5316 3.6420 3.6420 3.6420 3.6420 4.5222 4.5222 4.5222 4.5222 6.3789 6.3789 6.3789 6.3789 8.1337 8.1337 8.1337 8.1337 10.0181 10.0181 10.0181 10.0181 k = 0.2614 0.4242 0.1747 ( 4684 PWs) bands (ev): -8.7210 -8.7210 -8.7210 -8.7210 -7.1793 -7.1793 -7.1793 -7.1793 -2.7819 -2.7819 -2.7819 -2.7819 -1.2408 -1.2408 -1.2408 -1.2408 0.1305 0.1305 0.1305 0.1305 0.8925 0.8925 0.8925 0.8925 2.5207 2.5207 2.5207 2.5207 3.6833 3.6833 3.6833 3.6833 4.6102 4.6102 4.6102 4.6102 6.4646 6.4646 6.4646 6.4646 8.1238 8.1238 8.1238 8.1238 9.8168 9.8168 9.8168 9.8168 k = 0.2500 0.4242 0.1747 ( 4680 PWs) bands (ev): -8.7692 -8.7692 -8.7692 -8.7692 -7.1972 -7.1972 -7.1972 -7.1972 -2.7155 -2.7155 -2.7155 -2.7155 -1.1530 -1.1530 -1.1530 -1.1530 0.1245 0.1245 0.1245 0.1245 0.8898 0.8898 0.8898 0.8898 2.5073 2.5073 2.5073 2.5073 3.7199 3.7199 3.7199 3.7199 4.7033 4.7033 4.7033 4.7033 6.5480 6.5480 6.5480 6.5480 8.1120 8.1120 8.1120 8.1120 9.6249 9.6249 9.6249 9.6249 k = 0.2386 0.4242 0.1747 ( 4676 PWs) bands (ev): -8.8156 -8.8156 -8.8156 -8.8156 -7.2160 -7.2160 -7.2160 -7.2160 -2.6498 -2.6498 -2.6498 -2.6498 -1.0712 -1.0712 -1.0712 -1.0712 0.1259 0.1259 0.1259 0.1259 0.8956 0.8956 0.8956 0.8956 2.4923 2.4923 2.4923 2.4923 3.7516 3.7516 3.7516 3.7516 4.8003 4.8003 4.8003 4.8003 6.6278 6.6278 6.6278 6.6278 8.0964 8.0964 8.0964 8.0964 9.4462 9.4462 9.4462 9.4462 k = 0.2273 0.4242 0.1747 ( 4680 PWs) bands (ev): -8.8601 -8.8601 -8.8601 -8.8601 -7.2354 -7.2354 -7.2354 -7.2354 -2.5857 -2.5857 -2.5857 -2.5857 -0.9963 -0.9963 -0.9963 -0.9963 0.1349 0.1349 0.1349 0.1349 0.9102 0.9102 0.9102 0.9102 2.4765 2.4765 2.4765 2.4765 3.7784 3.7784 3.7784 3.7784 4.9004 4.9004 4.9004 4.9004 6.7025 6.7025 6.7025 6.7025 8.0749 8.0749 8.0749 8.0749 9.2843 9.2843 9.2843 9.2843 k = 0.2159 0.4242 0.1747 ( 4684 PWs) bands (ev): -8.9027 -8.9027 -8.9027 -8.9027 -7.2552 -7.2552 -7.2552 -7.2552 -2.5239 -2.5239 -2.5239 -2.5239 -0.9290 -0.9290 -0.9290 -0.9290 0.1520 0.1520 0.1520 0.1520 0.9340 0.9340 0.9340 0.9340 2.4608 2.4608 2.4608 2.4608 3.8003 3.8003 3.8003 3.8003 5.0023 5.0023 5.0023 5.0023 6.7697 6.7697 6.7697 6.7697 8.0458 8.0458 8.0458 8.0458 9.1436 9.1436 9.1436 9.1436 k = 0.2045 0.4242 0.1747 ( 4676 PWs) bands (ev): -8.9434 -8.9434 -8.9434 -8.9434 -7.2752 -7.2752 -7.2752 -7.2752 -2.4652 -2.4652 -2.4652 -2.4652 -0.8698 -0.8698 -0.8698 -0.8698 0.1773 0.1773 0.1773 0.1773 0.9671 0.9671 0.9671 0.9671 2.4458 2.4458 2.4458 2.4458 3.8171 3.8171 3.8171 3.8171 5.1053 5.1053 5.1053 5.1053 6.8257 6.8257 6.8257 6.8257 8.0093 8.0093 8.0093 8.0093 9.0273 9.0273 9.0273 9.0273 k = 0.1932 0.4242 0.1747 ( 4676 PWs) bands (ev): -8.9821 -8.9821 -8.9821 -8.9821 -7.2951 -7.2951 -7.2951 -7.2951 -2.4101 -2.4101 -2.4101 -2.4101 -0.8190 -0.8190 -0.8190 -0.8190 0.2111 0.2111 0.2111 0.2111 1.0088 1.0088 1.0088 1.0088 2.4321 2.4321 2.4321 2.4321 3.8289 3.8289 3.8289 3.8289 5.2085 5.2085 5.2085 5.2085 6.8658 6.8658 6.8658 6.8658 7.9685 7.9685 7.9685 7.9685 8.9373 8.9373 8.9373 8.9373 k = 0.1818 0.4242 0.1747 ( 4680 PWs) bands (ev): -9.0188 -9.0188 -9.0188 -9.0188 -7.3147 -7.3147 -7.3147 -7.3147 -2.3591 -2.3591 -2.3591 -2.3591 -0.7762 -0.7762 -0.7762 -0.7762 0.2532 0.2532 0.2532 0.2532 1.0585 1.0585 1.0585 1.0585 2.4205 2.4205 2.4205 2.4205 3.8356 3.8356 3.8356 3.8356 5.3108 5.3108 5.3108 5.3108 6.8840 6.8840 6.8840 6.8840 7.9303 7.9303 7.9303 7.9303 8.8723 8.8723 8.8723 8.8723 k = 0.1705 0.4242 0.1747 ( 4680 PWs) bands (ev): -9.0534 -9.0534 -9.0534 -9.0534 -7.3340 -7.3340 -7.3340 -7.3340 -2.3126 -2.3126 -2.3126 -2.3126 -0.7412 -0.7412 -0.7412 -0.7412 0.3034 0.3034 0.3034 0.3034 1.1147 1.1147 1.1147 1.1147 2.4117 2.4117 2.4117 2.4117 3.8372 3.8372 3.8372 3.8372 5.4114 5.4114 5.4114 5.4114 6.8746 6.8746 6.8746 6.8746 7.9039 7.9039 7.9039 7.9039 8.8289 8.8289 8.8289 8.8289 k = 0.1591 0.4242 0.1747 ( 4692 PWs) bands (ev): -9.0860 -9.0860 -9.0860 -9.0860 -7.3526 -7.3526 -7.3526 -7.3526 -2.2706 -2.2706 -2.2706 -2.2706 -0.7132 -0.7132 -0.7132 -0.7132 0.3613 0.3613 0.3613 0.3613 1.1759 1.1759 1.1759 1.1759 2.4062 2.4062 2.4062 2.4062 3.8338 3.8338 3.8338 3.8338 5.5093 5.5093 5.5093 5.5093 6.8354 6.8354 6.8354 6.8354 7.8962 7.8962 7.8962 7.8962 8.8024 8.8024 8.8024 8.8024 k = 0.1477 0.4242 0.1747 ( 4700 PWs) bands (ev): -9.1164 -9.1164 -9.1164 -9.1164 -7.3704 -7.3704 -7.3704 -7.3704 -2.2333 -2.2333 -2.2333 -2.2333 -0.6913 -0.6913 -0.6913 -0.6913 0.4263 0.4263 0.4263 0.4263 1.2400 1.2400 1.2400 1.2400 2.4048 2.4048 2.4048 2.4048 3.8252 3.8252 3.8252 3.8252 5.6036 5.6036 5.6036 5.6036 6.7690 6.7690 6.7690 6.7690 7.9088 7.9088 7.9088 7.9088 8.7879 8.7879 8.7879 8.7879 k = 0.1364 0.4242 0.1747 ( 4696 PWs) bands (ev): -9.1446 -9.1446 -9.1446 -9.1446 -7.3874 -7.3874 -7.3874 -7.3874 -2.2005 -2.2005 -2.2005 -2.2005 -0.6748 -0.6748 -0.6748 -0.6748 0.4975 0.4975 0.4975 0.4975 1.3050 1.3050 1.3050 1.3050 2.4082 2.4082 2.4082 2.4082 3.8117 3.8117 3.8117 3.8117 5.6932 5.6932 5.6932 5.6932 6.6822 6.6822 6.6822 6.6822 7.9385 7.9385 7.9385 7.9385 8.7788 8.7788 8.7788 8.7788 k = 0.1250 0.4242 0.1747 ( 4704 PWs) bands (ev): -9.1707 -9.1707 -9.1707 -9.1707 -7.4035 -7.4035 -7.4035 -7.4035 -2.1721 -2.1721 -2.1721 -2.1721 -0.6626 -0.6626 -0.6626 -0.6626 0.5738 0.5738 0.5738 0.5738 1.3687 1.3687 1.3687 1.3687 2.4170 2.4170 2.4170 2.4170 3.7932 3.7932 3.7932 3.7932 5.7771 5.7771 5.7771 5.7771 6.5831 6.5831 6.5831 6.5831 7.9800 7.9800 7.9800 7.9800 8.7116 8.7116 8.7116 8.7116 k = 0.1136 0.4242 0.1747 ( 4704 PWs) bands (ev): -9.1945 -9.1945 -9.1945 -9.1945 -7.4184 -7.4184 -7.4184 -7.4184 -2.1476 -2.1476 -2.1476 -2.1476 -0.6540 -0.6540 -0.6540 -0.6540 0.6541 0.6541 0.6541 0.6541 1.4290 1.4290 1.4290 1.4290 2.4316 2.4316 2.4316 2.4316 3.7700 3.7700 3.7700 3.7700 5.8541 5.8541 5.8541 5.8541 6.4785 6.4785 6.4785 6.4785 8.0284 8.0284 8.0284 8.0284 8.5780 8.5780 8.5780 8.5780 k = 0.1023 0.4242 0.1747 ( 4704 PWs) bands (ev): -9.2162 -9.2162 -9.2162 -9.2162 -7.4321 -7.4321 -7.4321 -7.4321 -2.1270 -2.1270 -2.1270 -2.1270 -0.6482 -0.6482 -0.6482 -0.6482 0.7368 0.7368 0.7368 0.7368 1.4842 1.4842 1.4842 1.4842 2.4521 2.4521 2.4521 2.4521 3.7425 3.7425 3.7425 3.7425 5.9231 5.9231 5.9231 5.9231 6.3740 6.3740 6.3740 6.3740 8.0793 8.0793 8.0793 8.0793 8.4511 8.4511 8.4511 8.4511 k = 0.0909 0.4242 0.1747 ( 4700 PWs) bands (ev): -9.2356 -9.2356 -9.2356 -9.2356 -7.4446 -7.4446 -7.4446 -7.4446 -2.1096 -2.1096 -2.1096 -2.1096 -0.6445 -0.6445 -0.6445 -0.6445 0.8202 0.8202 0.8202 0.8202 1.5330 1.5330 1.5330 1.5330 2.4780 2.4780 2.4780 2.4780 3.7112 3.7112 3.7112 3.7112 5.9833 5.9833 5.9833 5.9833 6.2738 6.2738 6.2738 6.2738 8.1287 8.1287 8.1287 8.1287 8.3375 8.3375 8.3375 8.3375 k = 0.0795 0.4242 0.1747 ( 4704 PWs) bands (ev): -9.2527 -9.2527 -9.2527 -9.2527 -7.4558 -7.4558 -7.4558 -7.4558 -2.0953 -2.0953 -2.0953 -2.0953 -0.6424 -0.6424 -0.6424 -0.6424 0.9024 0.9024 0.9024 0.9024 1.5745 1.5745 1.5745 1.5745 2.5083 2.5083 2.5083 2.5083 3.6771 3.6771 3.6771 3.6771 6.0336 6.0336 6.0336 6.0336 6.1811 6.1811 6.1811 6.1811 8.1671 8.1671 8.1671 8.1671 8.2463 8.2463 8.2463 8.2463 k = 0.0682 0.4242 0.1747 ( 4704 PWs) bands (ev): -9.2676 -9.2676 -9.2676 -9.2676 -7.4656 -7.4656 -7.4656 -7.4656 -2.0836 -2.0836 -2.0836 -2.0836 -0.6414 -0.6414 -0.6414 -0.6414 0.9813 0.9813 0.9813 0.9813 1.6087 1.6087 1.6087 1.6087 2.5413 2.5413 2.5413 2.5413 3.6414 3.6414 3.6414 3.6414 6.0694 6.0694 6.0694 6.0694 6.1025 6.1025 6.1025 6.1025 8.1324 8.1324 8.1324 8.1324 8.2386 8.2386 8.2386 8.2386 k = 0.0568 0.4242 0.1747 ( 4700 PWs) bands (ev): -9.2803 -9.2803 -9.2803 -9.2803 -7.4740 -7.4740 -7.4740 -7.4740 -2.0743 -2.0743 -2.0743 -2.0743 -0.6412 -0.6412 -0.6412 -0.6412 1.0545 1.0545 1.0545 1.0545 1.6360 1.6360 1.6360 1.6360 2.5750 2.5750 2.5750 2.5750 3.6056 3.6056 3.6056 3.6056 6.0211 6.0211 6.0211 6.0211 6.1094 6.1094 6.1094 6.1094 8.0657 8.0657 8.0657 8.0657 8.2726 8.2726 8.2726 8.2726 k = 0.0455 0.4242 0.1747 ( 4700 PWs) bands (ev): -9.2906 -9.2906 -9.2906 -9.2906 -7.4809 -7.4809 -7.4809 -7.4809 -2.0671 -2.0671 -2.0671 -2.0671 -0.6413 -0.6413 -0.6413 -0.6413 1.1195 1.1195 1.1195 1.1195 1.6568 1.6568 1.6568 1.6568 2.6069 2.6069 2.6069 2.6069 3.5718 3.5718 3.5718 3.5718 5.9613 5.9613 5.9613 5.9613 6.1312 6.1312 6.1312 6.1312 8.0100 8.0100 8.0100 8.0100 8.3044 8.3044 8.3044 8.3044 k = 0.0341 0.4242 0.1747 ( 4704 PWs) bands (ev): -9.2987 -9.2987 -9.2987 -9.2987 -7.4863 -7.4863 -7.4863 -7.4863 -2.0617 -2.0617 -2.0617 -2.0617 -0.6417 -0.6417 -0.6417 -0.6417 1.1736 1.1736 1.1736 1.1736 1.6721 1.6721 1.6721 1.6721 2.6346 2.6346 2.6346 2.6346 3.5422 3.5422 3.5422 3.5422 5.9138 5.9138 5.9138 5.9138 6.1463 6.1463 6.1463 6.1463 7.9678 7.9678 7.9678 7.9678 8.3299 8.3299 8.3299 8.3299 k = 0.0227 0.4242 0.1747 ( 4700 PWs) bands (ev): -9.3044 -9.3044 -9.3044 -9.3044 -7.4902 -7.4902 -7.4902 -7.4902 -2.0580 -2.0580 -2.0580 -2.0580 -0.6421 -0.6421 -0.6421 -0.6421 1.2145 1.2145 1.2145 1.2145 1.6824 1.6824 1.6824 1.6824 2.6561 2.6561 2.6561 2.6561 3.5190 3.5190 3.5190 3.5190 5.8795 5.8795 5.8795 5.8795 6.1556 6.1556 6.1556 6.1556 7.9387 7.9387 7.9387 7.9387 8.3485 8.3485 8.3485 8.3485 k = 0.0114 0.4242 0.1747 ( 4700 PWs) bands (ev): -9.3079 -9.3079 -9.3079 -9.3079 -7.4925 -7.4925 -7.4925 -7.4925 -2.0558 -2.0558 -2.0558 -2.0558 -0.6424 -0.6424 -0.6424 -0.6424 1.2400 1.2400 1.2400 1.2400 1.6884 1.6884 1.6884 1.6884 2.6697 2.6697 2.6697 2.6697 3.5041 3.5041 3.5041 3.5041 5.8588 5.8588 5.8588 5.8588 6.1605 6.1605 6.1605 6.1605 7.9217 7.9217 7.9217 7.9217 8.3598 8.3598 8.3598 8.3598 k = 0.0000 0.4242 0.1747 ( 4704 PWs) bands (ev): -9.3090 -9.3090 -9.3090 -9.3090 -7.4933 -7.4933 -7.4933 -7.4933 -2.0551 -2.0551 -2.0551 -2.0551 -0.6425 -0.6425 -0.6425 -0.6425 1.2487 1.2487 1.2487 1.2487 1.6904 1.6904 1.6904 1.6904 2.6744 2.6744 2.6744 2.6744 3.4990 3.4990 3.4990 3.4990 5.8519 5.8519 5.8519 5.8519 6.1620 6.1620 6.1620 6.1620 7.9161 7.9161 7.9161 7.9161 8.3635 8.3635 8.3635 8.3635 k = 0.0000 0.4242 0.1747 ( 4704 PWs) bands (ev): -9.3090 -9.3090 -9.3090 -9.3090 -7.4933 -7.4933 -7.4933 -7.4933 -2.0551 -2.0551 -2.0551 -2.0551 -0.6425 -0.6425 -0.6425 -0.6425 1.2487 1.2487 1.2487 1.2487 1.6904 1.6904 1.6904 1.6904 2.6744 2.6744 2.6744 2.6744 3.4990 3.4990 3.4990 3.4990 5.8519 5.8519 5.8519 5.8519 6.1620 6.1620 6.1620 6.1620 7.9161 7.9161 7.9161 7.9161 8.3635 8.3635 8.3635 8.3635 k = 0.0000 0.4128 0.1747 ( 4696 PWs) bands (ev): -9.3095 -9.3095 -9.3095 -9.3095 -7.4935 -7.4935 -7.4935 -7.4935 -2.0536 -2.0536 -2.0536 -2.0536 -0.6408 -0.6408 -0.6408 -0.6408 1.2483 1.2483 1.2483 1.2483 1.6894 1.6894 1.6894 1.6894 2.6742 2.6742 2.6742 2.6742 3.5001 3.5001 3.5001 3.5001 5.8451 5.8451 5.8451 5.8451 6.1667 6.1667 6.1667 6.1667 7.9150 7.9150 7.9150 7.9150 8.3645 8.3645 8.3645 8.3645 k = 0.0000 0.4013 0.1747 ( 4702 PWs) bands (ev): -9.3107 -9.3107 -9.3107 -9.3107 -7.4940 -7.4940 -7.4940 -7.4940 -2.0490 -2.0490 -2.0490 -2.0490 -0.6356 -0.6356 -0.6356 -0.6356 1.2473 1.2473 1.2473 1.2473 1.6864 1.6864 1.6864 1.6864 2.6737 2.6737 2.6737 2.6737 3.5032 3.5032 3.5032 3.5032 5.8259 5.8259 5.8259 5.8259 6.1796 6.1796 6.1796 6.1796 7.9118 7.9118 7.9118 7.9118 8.3675 8.3675 8.3675 8.3675 k = 0.0000 0.3898 0.1747 ( 4712 PWs) bands (ev): -9.3128 -9.3128 -9.3128 -9.3128 -7.4948 -7.4948 -7.4948 -7.4948 -2.0414 -2.0414 -2.0414 -2.0414 -0.6270 -0.6270 -0.6270 -0.6270 1.2455 1.2455 1.2455 1.2455 1.6815 1.6815 1.6815 1.6815 2.6728 2.6728 2.6728 2.6728 3.5082 3.5082 3.5082 3.5082 5.7970 5.7970 5.7970 5.7970 6.1979 6.1979 6.1979 6.1979 7.9065 7.9065 7.9065 7.9065 8.3722 8.3722 8.3722 8.3722 k = 0.0000 0.3784 0.1747 ( 4706 PWs) bands (ev): -9.3157 -9.3157 -9.3157 -9.3157 -7.4960 -7.4960 -7.4960 -7.4960 -2.0309 -2.0309 -2.0309 -2.0309 -0.6151 -0.6151 -0.6151 -0.6151 1.2431 1.2431 1.2431 1.2431 1.6749 1.6749 1.6749 1.6749 2.6715 2.6715 2.6715 2.6715 3.5151 3.5151 3.5151 3.5151 5.7613 5.7613 5.7613 5.7613 6.2188 6.2188 6.2188 6.2188 7.8994 7.8994 7.8994 7.8994 8.3784 8.3784 8.3784 8.3784 k = 0.0000 0.3669 0.1747 ( 4708 PWs) bands (ev): -9.3194 -9.3194 -9.3194 -9.3194 -7.4975 -7.4975 -7.4975 -7.4975 -2.0174 -2.0174 -2.0174 -2.0174 -0.5999 -0.5999 -0.5999 -0.5999 1.2401 1.2401 1.2401 1.2401 1.6665 1.6665 1.6665 1.6665 2.6700 2.6700 2.6700 2.6700 3.5235 3.5235 3.5235 3.5235 5.7209 5.7209 5.7209 5.7209 6.2404 6.2404 6.2404 6.2404 7.8907 7.8907 7.8907 7.8907 8.3857 8.3857 8.3857 8.3857 k = 0.0000 0.3554 0.1747 ( 4708 PWs) bands (ev): -9.3239 -9.3239 -9.3239 -9.3239 -7.4993 -7.4993 -7.4993 -7.4993 -2.0011 -2.0011 -2.0011 -2.0011 -0.5814 -0.5814 -0.5814 -0.5814 1.2364 1.2364 1.2364 1.2364 1.6566 1.6566 1.6566 1.6566 2.6680 2.6680 2.6680 2.6680 3.5334 3.5334 3.5334 3.5334 5.6770 5.6770 5.6770 5.6770 6.2612 6.2612 6.2612 6.2612 7.8806 7.8806 7.8806 7.8806 8.3939 8.3939 8.3939 8.3939 k = 0.0000 0.3440 0.1747 ( 4704 PWs) bands (ev): -9.3290 -9.3290 -9.3290 -9.3290 -7.5015 -7.5015 -7.5015 -7.5015 -1.9819 -1.9819 -1.9819 -1.9819 -0.5599 -0.5599 -0.5599 -0.5599 1.2322 1.2322 1.2322 1.2322 1.6454 1.6454 1.6454 1.6454 2.6658 2.6658 2.6658 2.6658 3.5444 3.5444 3.5444 3.5444 5.6308 5.6308 5.6308 5.6308 6.2802 6.2802 6.2802 6.2802 7.8691 7.8691 7.8691 7.8691 8.4023 8.4023 8.4023 8.4023 k = 0.0000 0.3325 0.1747 ( 4708 PWs) bands (ev): -9.3349 -9.3349 -9.3349 -9.3349 -7.5039 -7.5039 -7.5039 -7.5039 -1.9600 -1.9600 -1.9600 -1.9600 -0.5353 -0.5353 -0.5353 -0.5353 1.2273 1.2273 1.2273 1.2273 1.6330 1.6330 1.6330 1.6330 2.6633 2.6633 2.6633 2.6633 3.5562 3.5562 3.5562 3.5562 5.5830 5.5830 5.5830 5.5830 6.2969 6.2969 6.2969 6.2969 7.8565 7.8565 7.8565 7.8565 8.4107 8.4107 8.4107 8.4107 k = 0.0000 0.3210 0.1747 ( 4708 PWs) bands (ev): -9.3413 -9.3413 -9.3413 -9.3413 -7.5066 -7.5066 -7.5066 -7.5066 -1.9354 -1.9354 -1.9354 -1.9354 -0.5078 -0.5078 -0.5078 -0.5078 1.2220 1.2220 1.2220 1.2220 1.6196 1.6196 1.6196 1.6196 2.6605 2.6605 2.6605 2.6605 3.5685 3.5685 3.5685 3.5685 5.5341 5.5341 5.5341 5.5341 6.3109 6.3109 6.3109 6.3109 7.8428 7.8428 7.8428 7.8428 8.4185 8.4185 8.4185 8.4185 k = 0.0000 0.3096 0.1747 ( 4698 PWs) bands (ev): -9.3483 -9.3483 -9.3483 -9.3483 -7.5096 -7.5096 -7.5096 -7.5096 -1.9084 -1.9084 -1.9084 -1.9084 -0.4776 -0.4776 -0.4776 -0.4776 1.2162 1.2162 1.2162 1.2162 1.6055 1.6055 1.6055 1.6055 2.6574 2.6574 2.6574 2.6574 3.5809 3.5809 3.5809 3.5809 5.4845 5.4845 5.4845 5.4845 6.3218 6.3218 6.3218 6.3218 7.8280 7.8280 7.8280 7.8280 8.4251 8.4251 8.4251 8.4251 k = 0.0000 0.2981 0.1747 ( 4692 PWs) bands (ev): -9.3558 -9.3558 -9.3558 -9.3558 -7.5128 -7.5128 -7.5128 -7.5128 -1.8790 -1.8790 -1.8790 -1.8790 -0.4448 -0.4448 -0.4448 -0.4448 1.2100 1.2100 1.2100 1.2100 1.5908 1.5908 1.5908 1.5908 2.6541 2.6541 2.6541 2.6541 3.5930 3.5930 3.5930 3.5930 5.4347 5.4347 5.4347 5.4347 6.3296 6.3296 6.3296 6.3296 7.8120 7.8120 7.8120 7.8120 8.4299 8.4299 8.4299 8.4299 k = 0.0000 0.2867 0.1747 ( 4684 PWs) bands (ev): -9.3638 -9.3638 -9.3638 -9.3638 -7.5162 -7.5162 -7.5162 -7.5162 -1.8473 -1.8473 -1.8473 -1.8473 -0.4096 -0.4096 -0.4096 -0.4096 1.2034 1.2034 1.2034 1.2034 1.5758 1.5758 1.5758 1.5758 2.6506 2.6506 2.6506 2.6506 3.6045 3.6045 3.6045 3.6045 5.3848 5.3848 5.3848 5.3848 6.3342 6.3342 6.3342 6.3342 7.7948 7.7948 7.7948 7.7948 8.4321 8.4321 8.4321 8.4321 k = 0.0000 0.2752 0.1747 ( 4682 PWs) bands (ev): -9.3721 -9.3721 -9.3721 -9.3721 -7.5199 -7.5199 -7.5199 -7.5199 -1.8136 -1.8136 -1.8136 -1.8136 -0.3721 -0.3721 -0.3721 -0.3721 1.1965 1.1965 1.1965 1.1965 1.5606 1.5606 1.5606 1.5606 2.6468 2.6468 2.6468 2.6468 3.6150 3.6150 3.6150 3.6150 5.3353 5.3353 5.3353 5.3353 6.3357 6.3357 6.3357 6.3357 7.7761 7.7761 7.7761 7.7761 8.4308 8.4308 8.4308 8.4308 k = 0.0000 0.2637 0.1747 ( 4674 PWs) bands (ev): -9.3807 -9.3807 -9.3807 -9.3807 -7.5238 -7.5238 -7.5238 -7.5238 -1.7779 -1.7779 -1.7779 -1.7779 -0.3326 -0.3326 -0.3326 -0.3326 1.1893 1.1893 1.1893 1.1893 1.5455 1.5455 1.5455 1.5455 2.6429 2.6429 2.6429 2.6429 3.6241 3.6241 3.6241 3.6241 5.2865 5.2865 5.2865 5.2865 6.3340 6.3340 6.3340 6.3340 7.7560 7.7560 7.7560 7.7560 8.4253 8.4253 8.4253 8.4253 k = 0.0000 0.2523 0.1747 ( 4674 PWs) bands (ev): -9.3895 -9.3895 -9.3895 -9.3895 -7.5278 -7.5278 -7.5278 -7.5278 -1.7406 -1.7406 -1.7406 -1.7406 -0.2913 -0.2913 -0.2913 -0.2913 1.1819 1.1819 1.1819 1.1819 1.5305 1.5305 1.5305 1.5305 2.6389 2.6389 2.6389 2.6389 3.6314 3.6314 3.6314 3.6314 5.2386 5.2386 5.2386 5.2386 6.3294 6.3294 6.3294 6.3294 7.7342 7.7342 7.7342 7.7342 8.4152 8.4152 8.4152 8.4152 k = 0.0000 0.2408 0.1747 ( 4676 PWs) bands (ev): -9.3986 -9.3986 -9.3986 -9.3986 -7.5319 -7.5319 -7.5319 -7.5319 -1.7019 -1.7019 -1.7019 -1.7019 -0.2483 -0.2483 -0.2483 -0.2483 1.1743 1.1743 1.1743 1.1743 1.5159 1.5159 1.5159 1.5159 2.6347 2.6347 2.6347 2.6347 3.6366 3.6366 3.6366 3.6366 5.1919 5.1919 5.1919 5.1919 6.3220 6.3220 6.3220 6.3220 7.7105 7.7105 7.7105 7.7105 8.4010 8.4010 8.4010 8.4010 k = 0.0000 0.2293 0.1747 ( 4680 PWs) bands (ev): -9.4077 -9.4077 -9.4077 -9.4077 -7.5362 -7.5362 -7.5362 -7.5362 -1.6619 -1.6619 -1.6619 -1.6619 -0.2040 -0.2040 -0.2040 -0.2040 1.1667 1.1667 1.1667 1.1667 1.5017 1.5017 1.5017 1.5017 2.6305 2.6305 2.6305 2.6305 3.6395 3.6395 3.6395 3.6395 5.1467 5.1467 5.1467 5.1467 6.3120 6.3120 6.3120 6.3120 7.6850 7.6850 7.6850 7.6850 8.3835 8.3835 8.3835 8.3835 k = 0.0000 0.2179 0.1747 ( 4680 PWs) bands (ev): -9.4169 -9.4169 -9.4169 -9.4169 -7.5405 -7.5405 -7.5405 -7.5405 -1.6209 -1.6209 -1.6209 -1.6209 -0.1585 -0.1585 -0.1585 -0.1585 1.1590 1.1590 1.1590 1.1590 1.4881 1.4881 1.4881 1.4881 2.6262 2.6262 2.6262 2.6262 3.6396 3.6396 3.6396 3.6396 5.1033 5.1033 5.1033 5.1033 6.2996 6.2996 6.2996 6.2996 7.6575 7.6575 7.6575 7.6575 8.3644 8.3644 8.3644 8.3644 k = 0.0000 0.2064 0.1747 ( 4676 PWs) bands (ev): -9.4260 -9.4260 -9.4260 -9.4260 -7.5448 -7.5448 -7.5448 -7.5448 -1.5793 -1.5793 -1.5793 -1.5793 -0.1121 -0.1121 -0.1121 -0.1121 1.1513 1.1513 1.1513 1.1513 1.4752 1.4752 1.4752 1.4752 2.6219 2.6219 2.6219 2.6219 3.6368 3.6368 3.6368 3.6368 5.0620 5.0620 5.0620 5.0620 6.2851 6.2851 6.2851 6.2851 7.6281 7.6281 7.6281 7.6281 8.3448 8.3448 8.3448 8.3448 k = 0.0000 0.1949 0.1747 ( 4672 PWs) bands (ev): -9.4351 -9.4351 -9.4351 -9.4351 -7.5492 -7.5492 -7.5492 -7.5492 -1.5372 -1.5372 -1.5372 -1.5372 -0.0651 -0.0651 -0.0651 -0.0651 1.1437 1.1437 1.1437 1.1437 1.4629 1.4629 1.4629 1.4629 2.6176 2.6176 2.6176 2.6176 3.6310 3.6310 3.6310 3.6310 5.0229 5.0229 5.0229 5.0229 6.2688 6.2688 6.2688 6.2688 7.5969 7.5969 7.5969 7.5969 8.3260 8.3260 8.3260 8.3260 k = 0.0000 0.1835 0.1747 ( 4684 PWs) bands (ev): -9.4439 -9.4439 -9.4439 -9.4439 -7.5535 -7.5535 -7.5535 -7.5535 -1.4951 -1.4951 -1.4951 -1.4951 -0.0177 -0.0177 -0.0177 -0.0177 1.1362 1.1362 1.1362 1.1362 1.4514 1.4514 1.4514 1.4514 2.6133 2.6133 2.6133 2.6133 3.6222 3.6222 3.6222 3.6222 4.9863 4.9863 4.9863 4.9863 6.2508 6.2508 6.2508 6.2508 7.5642 7.5642 7.5642 7.5642 8.3089 8.3089 8.3089 8.3089 k = 0.0000 0.1720 0.1747 ( 4688 PWs) bands (ev): -9.4526 -9.4526 -9.4526 -9.4526 -7.5578 -7.5578 -7.5578 -7.5578 -1.4531 -1.4531 -1.4531 -1.4531 0.0299 0.0299 0.0299 0.0299 1.1289 1.1289 1.1289 1.1289 1.4407 1.4407 1.4407 1.4407 2.6091 2.6091 2.6091 2.6091 3.6102 3.6102 3.6102 3.6102 4.9523 4.9523 4.9523 4.9523 6.2316 6.2316 6.2316 6.2316 7.5303 7.5303 7.5303 7.5303 8.2940 8.2940 8.2940 8.2940 k = 0.0000 0.1605 0.1747 ( 4680 PWs) bands (ev): -9.4610 -9.4610 -9.4610 -9.4610 -7.5620 -7.5620 -7.5620 -7.5620 -1.4118 -1.4118 -1.4118 -1.4118 0.0773 0.0773 0.0773 0.0773 1.1218 1.1218 1.1218 1.1218 1.4307 1.4307 1.4307 1.4307 2.6050 2.6050 2.6050 2.6050 3.5954 3.5954 3.5954 3.5954 4.9211 4.9211 4.9211 4.9211 6.2114 6.2114 6.2114 6.2114 7.4956 7.4956 7.4956 7.4956 8.2819 8.2819 8.2819 8.2819 k = 0.0000 0.1491 0.1747 ( 4672 PWs) bands (ev): -9.4690 -9.4690 -9.4690 -9.4690 -7.5660 -7.5660 -7.5660 -7.5660 -1.3713 -1.3713 -1.3713 -1.3713 0.1242 0.1242 0.1242 0.1242 1.1150 1.1150 1.1150 1.1150 1.4215 1.4215 1.4215 1.4215 2.6011 2.6011 2.6011 2.6011 3.5779 3.5779 3.5779 3.5779 4.8927 4.8927 4.8927 4.8927 6.1905 6.1905 6.1905 6.1905 7.4606 7.4606 7.4606 7.4606 8.2726 8.2726 8.2726 8.2726 k = 0.0000 0.1376 0.1747 ( 4674 PWs) bands (ev): -9.4767 -9.4767 -9.4767 -9.4767 -7.5699 -7.5699 -7.5699 -7.5699 -1.3322 -1.3322 -1.3322 -1.3322 0.1703 0.1703 0.1703 0.1703 1.1085 1.1085 1.1085 1.1085 1.4129 1.4129 1.4129 1.4129 2.5973 2.5973 2.5973 2.5973 3.5582 3.5582 3.5582 3.5582 4.8671 4.8671 4.8671 4.8671 6.1692 6.1692 6.1692 6.1692 7.4258 7.4258 7.4258 7.4258 8.2662 8.2662 8.2662 8.2662 k = 0.0000 0.1261 0.1747 ( 4672 PWs) bands (ev): -9.4839 -9.4839 -9.4839 -9.4839 -7.5736 -7.5736 -7.5736 -7.5736 -1.2946 -1.2946 -1.2946 -1.2946 0.2153 0.2153 0.2153 0.2153 1.1023 1.1023 1.1023 1.1023 1.4049 1.4049 1.4049 1.4049 2.5938 2.5938 2.5938 2.5938 3.5367 3.5367 3.5367 3.5367 4.8442 4.8442 4.8442 4.8442 6.1478 6.1478 6.1478 6.1478 7.3917 7.3917 7.3917 7.3917 8.2628 8.2628 8.2628 8.2628 k = 0.0000 0.1147 0.1747 ( 4658 PWs) bands (ev): -9.4907 -9.4907 -9.4907 -9.4907 -7.5771 -7.5771 -7.5771 -7.5771 -1.2589 -1.2589 -1.2589 -1.2589 0.2588 0.2588 0.2588 0.2588 1.0966 1.0966 1.0966 1.0966 1.3975 1.3975 1.3975 1.3975 2.5904 2.5904 2.5904 2.5904 3.5139 3.5139 3.5139 3.5139 4.8240 4.8240 4.8240 4.8240 6.1268 6.1268 6.1268 6.1268 7.3588 7.3588 7.3588 7.3588 8.2620 8.2620 8.2620 8.2620 k = 0.0000 0.1032 0.1747 ( 4658 PWs) bands (ev): -9.4969 -9.4969 -9.4969 -9.4969 -7.5804 -7.5804 -7.5804 -7.5804 -1.2255 -1.2255 -1.2255 -1.2255 0.3003 0.3003 0.3003 0.3003 1.0913 1.0913 1.0913 1.0913 1.3906 1.3906 1.3906 1.3906 2.5873 2.5873 2.5873 2.5873 3.4906 3.4906 3.4906 3.4906 4.8064 4.8064 4.8064 4.8064 6.1063 6.1063 6.1063 6.1063 7.3277 7.3277 7.3277 7.3277 8.2637 8.2637 8.2637 8.2637 k = 0.0000 0.0917 0.1747 ( 4662 PWs) bands (ev): -9.5026 -9.5026 -9.5026 -9.5026 -7.5834 -7.5834 -7.5834 -7.5834 -1.1947 -1.1947 -1.1947 -1.1947 0.3396 0.3396 0.3396 0.3396 1.0864 1.0864 1.0864 1.0864 1.3841 1.3841 1.3841 1.3841 2.5844 2.5844 2.5844 2.5844 3.4673 3.4673 3.4673 3.4673 4.7911 4.7911 4.7911 4.7911 6.0868 6.0868 6.0868 6.0868 7.2987 7.2987 7.2987 7.2987 8.2677 8.2677 8.2677 8.2677 k = 0.0000 0.0803 0.1747 ( 4664 PWs) bands (ev): -9.5077 -9.5077 -9.5077 -9.5077 -7.5861 -7.5861 -7.5861 -7.5861 -1.1668 -1.1668 -1.1668 -1.1668 0.3760 0.3760 0.3760 0.3760 1.0821 1.0821 1.0821 1.0821 1.3780 1.3780 1.3780 1.3780 2.5818 2.5818 2.5818 2.5818 3.4448 3.4448 3.4448 3.4448 4.7780 4.7780 4.7780 4.7780 6.0687 6.0687 6.0687 6.0687 7.2722 7.2722 7.2722 7.2722 8.2735 8.2735 8.2735 8.2735 k = 0.0000 0.0688 0.1747 ( 4666 PWs) bands (ev): -9.5122 -9.5122 -9.5122 -9.5122 -7.5884 -7.5884 -7.5884 -7.5884 -1.1420 -1.1420 -1.1420 -1.1420 0.4092 0.4092 0.4092 0.4092 1.0783 1.0783 1.0783 1.0783 1.3724 1.3724 1.3724 1.3724 2.5796 2.5796 2.5796 2.5796 3.4237 3.4237 3.4237 3.4237 4.7670 4.7670 4.7670 4.7670 6.0521 6.0521 6.0521 6.0521 7.2486 7.2486 7.2486 7.2486 8.2808 8.2808 8.2808 8.2808 k = 0.0000 0.0573 0.1747 ( 4678 PWs) bands (ev): -9.5160 -9.5160 -9.5160 -9.5160 -7.5905 -7.5905 -7.5905 -7.5905 -1.1206 -1.1206 -1.1206 -1.1206 0.4385 0.4385 0.4385 0.4385 1.0750 1.0750 1.0750 1.0750 1.3673 1.3673 1.3673 1.3673 2.5776 2.5776 2.5776 2.5776 3.4046 3.4046 3.4046 3.4046 4.7579 4.7579 4.7579 4.7579 6.0375 6.0375 6.0375 6.0375 7.2282 7.2282 7.2282 7.2282 8.2891 8.2891 8.2891 8.2891 k = 0.0000 0.0459 0.1747 ( 4682 PWs) bands (ev): -9.5192 -9.5192 -9.5192 -9.5192 -7.5922 -7.5922 -7.5922 -7.5922 -1.1028 -1.1028 -1.1028 -1.1028 0.4634 0.4634 0.4634 0.4634 1.0723 1.0723 1.0723 1.0723 1.3628 1.3628 1.3628 1.3628 2.5760 2.5760 2.5760 2.5760 3.3882 3.3882 3.3882 3.3882 4.7507 4.7507 4.7507 4.7507 6.0252 6.0252 6.0252 6.0252 7.2113 7.2113 7.2113 7.2113 8.2977 8.2977 8.2977 8.2977 k = 0.0000 0.0344 0.1747 ( 4672 PWs) bands (ev): -9.5217 -9.5217 -9.5217 -9.5217 -7.5935 -7.5935 -7.5935 -7.5935 -1.0888 -1.0888 -1.0888 -1.0888 0.4835 0.4835 0.4835 0.4835 1.0702 1.0702 1.0702 1.0702 1.3591 1.3591 1.3591 1.3591 2.5748 2.5748 2.5748 2.5748 3.3748 3.3748 3.3748 3.3748 4.7452 4.7452 4.7452 4.7452 6.0153 6.0153 6.0153 6.0153 7.1979 7.1979 7.1979 7.1979 8.3061 8.3061 8.3061 8.3061 k = 0.0000 0.0229 0.1747 ( 4674 PWs) bands (ev): -9.5235 -9.5235 -9.5235 -9.5235 -7.5945 -7.5945 -7.5945 -7.5945 -1.0787 -1.0787 -1.0787 -1.0787 0.4982 0.4982 0.4982 0.4982 1.0687 1.0687 1.0687 1.0687 1.3563 1.3563 1.3563 1.3563 2.5739 2.5739 2.5739 2.5739 3.3650 3.3650 3.3650 3.3650 4.7413 4.7413 4.7413 4.7413 6.0080 6.0080 6.0080 6.0080 7.1882 7.1882 7.1882 7.1882 8.3131 8.3131 8.3131 8.3131 k = 0.0000 0.0115 0.1747 ( 4672 PWs) bands (ev): -9.5246 -9.5246 -9.5246 -9.5246 -7.5950 -7.5950 -7.5950 -7.5950 -1.0725 -1.0725 -1.0725 -1.0725 0.5072 0.5072 0.5072 0.5072 1.0678 1.0678 1.0678 1.0678 1.3545 1.3545 1.3545 1.3545 2.5733 2.5733 2.5733 2.5733 3.3589 3.3589 3.3589 3.3589 4.7390 4.7390 4.7390 4.7390 6.0036 6.0036 6.0036 6.0036 7.1824 7.1824 7.1824 7.1824 8.3180 8.3180 8.3180 8.3180 k = 0.0000 0.0000 0.1747 ( 4672 PWs) bands (ev): -9.5249 -9.5249 -9.5249 -9.5249 -7.5952 -7.5952 -7.5952 -7.5952 -1.0705 -1.0705 -1.0705 -1.0705 0.5102 0.5102 0.5102 0.5102 1.0675 1.0675 1.0675 1.0675 1.3539 1.3539 1.3539 1.3539 2.5731 2.5731 2.5731 2.5731 3.3569 3.3569 3.3569 3.3569 4.7382 4.7382 4.7382 4.7382 6.0022 6.0022 6.0022 6.0022 7.1804 7.1804 7.1804 7.1804 8.3197 8.3197 8.3197 8.3197 k = 0.0000 0.4242-0.0000 ( 4668 PWs) bands (ev): -9.3094 -9.3094 -9.3094 -9.3094 -7.4914 -7.4914 -7.4914 -7.4914 -2.1857 -2.1857 -2.1857 -2.1857 -0.0106 -0.0106 -0.0106 -0.0106 0.7740 0.7740 0.7740 0.7740 1.2489 1.2489 1.2489 1.2489 2.6755 2.6755 2.6755 2.6755 4.0770 4.0770 4.0770 4.0770 5.6167 5.6167 5.6167 5.6167 6.9542 6.9542 6.9542 6.9542 7.4328 7.4328 7.4328 7.4328 7.9499 7.9499 7.9499 7.9499 k = 0.0000 0.4242 0.0109 ( 4678 PWs) bands (ev): -9.3094 -9.3094 -9.3094 -9.3094 -7.4914 -7.4914 -7.4914 -7.4914 -2.1846 -2.1846 -2.1846 -2.1846 -0.0213 -0.0213 -0.0213 -0.0213 0.7867 0.7867 0.7867 0.7867 1.2489 1.2489 1.2489 1.2489 2.6755 2.6755 2.6755 2.6755 4.0723 4.0723 4.0723 4.0723 5.6181 5.6181 5.6181 5.6181 6.9396 6.9396 6.9396 6.9396 7.4423 7.4423 7.4423 7.4423 7.9599 7.9599 7.9599 7.9599 k = 0.0000 0.4242 0.0218 ( 4678 PWs) bands (ev): -9.3094 -9.3094 -9.3094 -9.3094 -7.4915 -7.4915 -7.4915 -7.4915 -2.1814 -2.1814 -2.1814 -2.1814 -0.0513 -0.0513 -0.0513 -0.0513 0.8226 0.8226 0.8226 0.8226 1.2489 1.2489 1.2489 1.2489 2.6755 2.6755 2.6755 2.6755 4.0583 4.0583 4.0583 4.0583 5.6224 5.6224 5.6224 5.6224 6.8999 6.8999 6.8999 6.8999 7.4669 7.4669 7.4669 7.4669 7.9892 7.9892 7.9892 7.9892 k = 0.0000 0.4242 0.0327 ( 4682 PWs) bands (ev): -9.3094 -9.3094 -9.3094 -9.3094 -7.4916 -7.4916 -7.4916 -7.4916 -2.1762 -2.1762 -2.1762 -2.1762 -0.0958 -0.0958 -0.0958 -0.0958 0.8768 0.8768 0.8768 0.8768 1.2489 1.2489 1.2489 1.2489 2.6754 2.6754 2.6754 2.6754 4.0353 4.0353 4.0353 4.0353 5.6295 5.6295 5.6295 5.6295 6.8435 6.8435 6.8435 6.8435 7.4998 7.4998 7.4998 7.4998 8.0358 8.0358 8.0358 8.0358 k = 0.0000 0.4242 0.0437 ( 4684 PWs) bands (ev): -9.3093 -9.3093 -9.3093 -9.3093 -7.4917 -7.4917 -7.4917 -7.4917 -2.1690 -2.1690 -2.1690 -2.1690 -0.1495 -0.1495 -0.1495 -0.1495 0.9440 0.9440 0.9440 0.9440 1.2490 1.2490 1.2490 1.2490 2.6754 2.6754 2.6754 2.6754 4.0040 4.0040 4.0040 4.0040 5.6393 5.6393 5.6393 5.6393 6.7780 6.7780 6.7780 6.7780 7.5357 7.5357 7.5357 7.5357 8.0965 8.0965 8.0965 8.0965 k = 0.0000 0.4242 0.0546 ( 4678 PWs) bands (ev): -9.3093 -9.3093 -9.3093 -9.3093 -7.4918 -7.4918 -7.4918 -7.4918 -2.1601 -2.1601 -2.1601 -2.1601 -0.2083 -0.2083 -0.2083 -0.2083 1.0198 1.0198 1.0198 1.0198 1.2490 1.2490 1.2490 1.2490 2.6753 2.6753 2.6753 2.6753 3.9652 3.9652 3.9652 3.9652 5.6516 5.6516 5.6516 5.6516 6.7082 6.7082 6.7082 6.7082 7.5725 7.5725 7.5725 7.5725 8.1669 8.1669 8.1669 8.1669 k = 0.0000 0.4242 0.0655 ( 4686 PWs) bands (ev): -9.3093 -9.3093 -9.3093 -9.3093 -7.4920 -7.4920 -7.4920 -7.4920 -2.1496 -2.1496 -2.1496 -2.1496 -0.2689 -0.2689 -0.2689 -0.2689 1.1005 1.1005 1.1005 1.1005 1.2492 1.2492 1.2492 1.2492 2.6753 2.6753 2.6753 2.6753 3.9199 3.9199 3.9199 3.9199 5.6663 5.6663 5.6663 5.6663 6.6374 6.6374 6.6374 6.6374 7.6096 7.6096 7.6096 7.6096 8.2424 8.2424 8.2424 8.2424 k = 0.0000 0.4242 0.0764 ( 4690 PWs) bands (ev): -9.3092 -9.3092 -9.3092 -9.3092 -7.4922 -7.4922 -7.4922 -7.4922 -2.1381 -2.1381 -2.1381 -2.1381 -0.3291 -0.3291 -0.3291 -0.3291 1.1833 1.1833 1.1833 1.1833 1.2499 1.2499 1.2499 1.2499 2.6752 2.6752 2.6752 2.6752 3.8696 3.8696 3.8696 3.8696 5.6833 5.6833 5.6833 5.6833 6.5676 6.5676 6.5676 6.5676 7.6471 7.6471 7.6471 7.6471 8.3173 8.3173 8.3173 8.3173 k = 0.0000 0.4242 0.0873 ( 4702 PWs) bands (ev): -9.3092 -9.3092 -9.3092 -9.3092 -7.4924 -7.4924 -7.4924 -7.4924 -2.1256 -2.1256 -2.1256 -2.1256 -0.3870 -0.3870 -0.3870 -0.3870 1.2455 1.2455 1.2455 1.2455 1.2713 1.2713 1.2713 1.2713 2.6751 2.6751 2.6751 2.6751 3.8155 3.8155 3.8155 3.8155 5.7022 5.7022 5.7022 5.7022 6.5000 6.5000 6.5000 6.5000 7.6851 7.6851 7.6851 7.6851 8.3843 8.3843 8.3843 8.3843 k = 0.0000 0.4242 0.0982 ( 4690 PWs) bands (ev): -9.3092 -9.3092 -9.3092 -9.3092 -7.4925 -7.4925 -7.4925 -7.4925 -2.1128 -2.1128 -2.1128 -2.1128 -0.4415 -0.4415 -0.4415 -0.4415 1.2480 1.2480 1.2480 1.2480 1.3505 1.3505 1.3505 1.3505 2.6750 2.6750 2.6750 2.6750 3.7595 3.7595 3.7595 3.7595 5.7230 5.7230 5.7230 5.7230 6.4357 6.4357 6.4357 6.4357 7.7235 7.7235 7.7235 7.7235 8.4327 8.4327 8.4327 8.4327 k = 0.0000 0.4242 0.1092 ( 4686 PWs) bands (ev): -9.3091 -9.3091 -9.3091 -9.3091 -7.4927 -7.4927 -7.4927 -7.4927 -2.1001 -2.1001 -2.1001 -2.1001 -0.4912 -0.4912 -0.4912 -0.4912 1.2484 1.2484 1.2484 1.2484 1.4281 1.4281 1.4281 1.4281 2.6749 2.6749 2.6749 2.6749 3.7036 3.7036 3.7036 3.7036 5.7452 5.7452 5.7452 5.7452 6.3753 6.3753 6.3753 6.3753 7.7618 7.7618 7.7618 7.7618 8.4527 8.4527 8.4527 8.4527 k = 0.0000 0.4242 0.1201 ( 4690 PWs) bands (ev): -9.3091 -9.3091 -9.3091 -9.3091 -7.4929 -7.4929 -7.4929 -7.4929 -2.0880 -2.0880 -2.0880 -2.0880 -0.5352 -0.5352 -0.5352 -0.5352 1.2485 1.2485 1.2485 1.2485 1.5000 1.5000 1.5000 1.5000 2.6748 2.6748 2.6748 2.6748 3.6498 3.6498 3.6498 3.6498 5.7683 5.7683 5.7683 5.7683 6.3197 6.3197 6.3197 6.3197 7.7993 7.7993 7.7993 7.7993 8.4472 8.4472 8.4472 8.4472 k = 0.0000 0.4242 0.1310 ( 4692 PWs) bands (ev): -9.3091 -9.3091 -9.3091 -9.3091 -7.4930 -7.4930 -7.4930 -7.4930 -2.0771 -2.0771 -2.0771 -2.0771 -0.5726 -0.5726 -0.5726 -0.5726 1.2486 1.2486 1.2486 1.2486 1.5636 1.5636 1.5636 1.5636 2.6747 2.6747 2.6747 2.6747 3.6007 3.6007 3.6007 3.6007 5.7917 5.7917 5.7917 5.7917 6.2697 6.2697 6.2697 6.2697 7.8349 7.8349 7.8349 7.8349 8.4282 8.4282 8.4282 8.4282 k = 0.0000 0.4242 0.1419 ( 4696 PWs) bands (ev): -9.3091 -9.3091 -9.3091 -9.3091 -7.4932 -7.4932 -7.4932 -7.4932 -2.0679 -2.0679 -2.0679 -2.0679 -0.6026 -0.6026 -0.6026 -0.6026 1.2486 1.2486 1.2486 1.2486 1.6167 1.6167 1.6167 1.6167 2.6745 2.6745 2.6745 2.6745 3.5587 3.5587 3.5587 3.5587 5.8140 5.8140 5.8140 5.8140 6.2266 6.2266 6.2266 6.2266 7.8668 7.8668 7.8668 7.8668 8.4050 8.4050 8.4050 8.4050 k = 0.0000 0.4242 0.1528 ( 4700 PWs) bands (ev): -9.3090 -9.3090 -9.3090 -9.3090 -7.4932 -7.4932 -7.4932 -7.4932 -2.0609 -2.0609 -2.0609 -2.0609 -0.6246 -0.6246 -0.6246 -0.6246 1.2486 1.2486 1.2486 1.2486 1.6568 1.6568 1.6568 1.6568 2.6745 2.6745 2.6745 2.6745 3.5264 3.5264 3.5264 3.5264 5.8333 5.8333 5.8333 5.8333 6.1925 6.1925 6.1925 6.1925 7.8927 7.8927 7.8927 7.8927 8.3838 8.3838 8.3838 8.3838 k = 0.0000 0.4242 0.1637 ( 4706 PWs) bands (ev): -9.3090 -9.3090 -9.3090 -9.3090 -7.4933 -7.4933 -7.4933 -7.4933 -2.0566 -2.0566 -2.0566 -2.0566 -0.6380 -0.6380 -0.6380 -0.6380 1.2486 1.2486 1.2486 1.2486 1.6818 1.6818 1.6818 1.6818 2.6744 2.6744 2.6744 2.6744 3.5060 3.5060 3.5060 3.5060 5.8469 5.8469 5.8469 5.8469 6.1699 6.1699 6.1699 6.1699 7.9100 7.9100 7.9100 7.9100 8.3689 8.3689 8.3689 8.3689 k = 0.0000 0.4242 0.1747 ( 4704 PWs) bands (ev): -9.3090 -9.3090 -9.3090 -9.3090 -7.4933 -7.4933 -7.4933 -7.4933 -2.0551 -2.0551 -2.0551 -2.0551 -0.6425 -0.6425 -0.6425 -0.6425 1.2487 1.2487 1.2487 1.2487 1.6904 1.6904 1.6904 1.6904 2.6744 2.6744 2.6744 2.6744 3.4990 3.4990 3.4990 3.4990 5.8519 5.8519 5.8519 5.8519 6.1620 6.1620 6.1620 6.1620 7.9161 7.9161 7.9161 7.9161 8.3635 8.3635 8.3635 8.3635 k = 0.5000-0.0000 0.1747 ( 4680 PWs) bands (ev): -7.6338 -7.6338 -7.6338 -7.6338 -7.6336 -7.6336 -7.6336 -7.6336 -3.3712 -3.3712 -3.3712 -3.3712 -3.3709 -3.3709 -3.3709 -3.3709 2.2971 2.2971 2.2971 2.2971 2.2992 2.2992 2.2992 2.2992 2.7087 2.7087 2.7087 2.7087 2.7090 2.7090 2.7090 2.7090 5.7204 5.7204 5.7204 5.7204 5.7288 5.7288 5.7288 5.7288 8.4698 8.4698 8.4698 8.4698 8.4801 8.4801 8.4801 8.4801 k = 0.5000-0.0000 0.1637 ( 4682 PWs) bands (ev): -7.6409 -7.6409 -7.6409 -7.6409 -7.6264 -7.6264 -7.6264 -7.6264 -3.4063 -3.4063 -3.4063 -3.4063 -3.3352 -3.3352 -3.3352 -3.3352 2.2718 2.2718 2.2718 2.2718 2.3187 2.3187 2.3187 2.3187 2.6439 2.6439 2.6439 2.6439 2.7808 2.7808 2.7808 2.7808 5.7164 5.7164 5.7164 5.7164 5.7334 5.7334 5.7334 5.7334 8.4150 8.4150 8.4150 8.4150 8.5339 8.5339 8.5339 8.5339 k = 0.5000-0.0000 0.1528 ( 4682 PWs) bands (ev): -7.6480 -7.6480 -7.6480 -7.6480 -7.6192 -7.6192 -7.6192 -7.6192 -3.4408 -3.4408 -3.4408 -3.4408 -3.2993 -3.2993 -3.2993 -3.2993 2.2383 2.2383 2.2383 2.2383 2.3349 2.3349 2.3349 2.3349 2.5881 2.5881 2.5881 2.5881 2.8576 2.8576 2.8576 2.8576 5.7106 5.7106 5.7106 5.7106 5.7410 5.7410 5.7410 5.7410 8.3545 8.3545 8.3545 8.3545 8.5912 8.5912 8.5912 8.5912 k = 0.5000-0.0000 0.1419 ( 4678 PWs) bands (ev): -7.6549 -7.6549 -7.6549 -7.6549 -7.6120 -7.6120 -7.6120 -7.6120 -3.4742 -3.4742 -3.4742 -3.4742 -3.2635 -3.2635 -3.2635 -3.2635 2.1970 2.1970 2.1970 2.1970 2.3480 2.3480 2.3480 2.3480 2.5427 2.5427 2.5427 2.5427 2.9372 2.9372 2.9372 2.9372 5.7054 5.7054 5.7054 5.7054 5.7494 5.7494 5.7494 5.7494 8.2934 8.2934 8.2934 8.2934 8.6471 8.6471 8.6471 8.6471 k = 0.5000-0.0000 0.1310 ( 4682 PWs) bands (ev): -7.6615 -7.6615 -7.6615 -7.6615 -7.6050 -7.6050 -7.6050 -7.6050 -3.5062 -3.5062 -3.5062 -3.5062 -3.2282 -3.2282 -3.2282 -3.2282 2.1490 2.1490 2.1490 2.1490 2.3588 2.3588 2.3588 2.3588 2.5074 2.5074 2.5074 2.5074 3.0179 3.0179 3.0179 3.0179 5.7010 5.7010 5.7010 5.7010 5.7580 5.7580 5.7580 5.7580 8.2319 8.2319 8.2319 8.2319 8.7012 8.7012 8.7012 8.7012 k = 0.5000-0.0000 0.1201 ( 4688 PWs) bands (ev): -7.6679 -7.6679 -7.6679 -7.6679 -7.5982 -7.5982 -7.5982 -7.5982 -3.5367 -3.5367 -3.5367 -3.5367 -3.1939 -3.1939 -3.1939 -3.1939 2.0962 2.0962 2.0962 2.0962 2.3679 2.3679 2.3679 2.3679 2.4807 2.4807 2.4807 2.4807 3.0984 3.0984 3.0984 3.0984 5.6976 5.6976 5.6976 5.6976 5.7668 5.7668 5.7668 5.7668 8.1705 8.1705 8.1705 8.1705 8.7531 8.7531 8.7531 8.7531 k = 0.5000-0.0000 0.1092 ( 4692 PWs) bands (ev): -7.6738 -7.6738 -7.6738 -7.6738 -7.5917 -7.5917 -7.5917 -7.5917 -3.5652 -3.5652 -3.5652 -3.5652 -3.1607 -3.1607 -3.1607 -3.1607 2.0414 2.0414 2.0414 2.0414 2.3756 2.3756 2.3756 2.3756 2.4605 2.4605 2.4605 2.4605 3.1772 3.1772 3.1772 3.1772 5.6953 5.6953 5.6953 5.6953 5.7755 5.7755 5.7755 5.7755 8.1095 8.1095 8.1095 8.1095 8.8025 8.8025 8.8025 8.8025 k = 0.5000-0.0000 0.0982 ( 4692 PWs) bands (ev): -7.6794 -7.6794 -7.6794 -7.6794 -7.5855 -7.5855 -7.5855 -7.5855 -3.5918 -3.5918 -3.5918 -3.5918 -3.1293 -3.1293 -3.1293 -3.1293 1.9870 1.9870 1.9870 1.9870 2.3822 2.3822 2.3822 2.3822 2.4452 2.4452 2.4452 2.4452 3.2533 3.2533 3.2533 3.2533 5.6941 5.6941 5.6941 5.6941 5.7839 5.7839 5.7839 5.7839 8.0495 8.0495 8.0495 8.0495 8.8490 8.8490 8.8490 8.8490 k = 0.5000-0.0000 0.0873 ( 4680 PWs) bands (ev): -7.6845 -7.6845 -7.6845 -7.6845 -7.5799 -7.5799 -7.5799 -7.5799 -3.6160 -3.6160 -3.6160 -3.6160 -3.0998 -3.0998 -3.0998 -3.0998 1.9347 1.9347 1.9347 1.9347 2.3878 2.3878 2.3878 2.3878 2.4334 2.4334 2.4334 2.4334 3.3253 3.3253 3.3253 3.3253 5.6938 5.6938 5.6938 5.6938 5.7921 5.7921 5.7921 5.7921 7.9913 7.9913 7.9913 7.9913 8.8921 8.8921 8.8921 8.8921 k = 0.5000-0.0000 0.0764 ( 4686 PWs) bands (ev): -7.6890 -7.6890 -7.6890 -7.6890 -7.5747 -7.5747 -7.5747 -7.5747 -3.6379 -3.6379 -3.6379 -3.6379 -3.0728 -3.0728 -3.0728 -3.0728 1.8860 1.8860 1.8860 1.8860 2.3926 2.3926 2.3926 2.3926 2.4242 2.4242 2.4242 2.4242 3.3922 3.3922 3.3922 3.3922 5.6945 5.6945 5.6945 5.6945 5.7997 5.7997 5.7997 5.7997 7.9356 7.9356 7.9356 7.9356 8.9315 8.9315 8.9315 8.9315 k = 0.5000-0.0000 0.0655 ( 4682 PWs) bands (ev): -7.6931 -7.6931 -7.6931 -7.6931 -7.5700 -7.5700 -7.5700 -7.5700 -3.6571 -3.6571 -3.6571 -3.6571 -3.0485 -3.0485 -3.0485 -3.0485 1.8419 1.8419 1.8419 1.8419 2.3965 2.3965 2.3965 2.3965 2.4171 2.4171 2.4171 2.4171 3.4529 3.4529 3.4529 3.4529 5.6960 5.6960 5.6960 5.6960 5.8067 5.8067 5.8067 5.8067 7.8837 7.8837 7.8837 7.8837 8.9666 8.9666 8.9666 8.9666 k = 0.5000-0.0000 0.0546 ( 4680 PWs) bands (ev): -7.6966 -7.6966 -7.6966 -7.6966 -7.5660 -7.5660 -7.5660 -7.5660 -3.6736 -3.6736 -3.6736 -3.6736 -3.0273 -3.0273 -3.0273 -3.0273 1.8034 1.8034 1.8034 1.8034 2.3994 2.3994 2.3994 2.3994 2.4119 2.4119 2.4119 2.4119 3.5063 3.5063 3.5063 3.5063 5.6980 5.6980 5.6980 5.6980 5.8129 5.8129 5.8129 5.8129 7.8367 7.8367 7.8367 7.8367 8.9970 8.9970 8.9970 8.9970 k = 0.5000-0.0000 0.0437 ( 4676 PWs) bands (ev): -7.6995 -7.6995 -7.6995 -7.6995 -7.5626 -7.5626 -7.5626 -7.5626 -3.6873 -3.6873 -3.6873 -3.6873 -3.0094 -3.0094 -3.0094 -3.0094 1.7711 1.7711 1.7711 1.7711 2.4008 2.4008 2.4008 2.4008 2.4088 2.4088 2.4088 2.4088 3.5516 3.5516 3.5516 3.5516 5.7002 5.7002 5.7002 5.7002 5.8182 5.8182 5.8182 5.8182 7.7959 7.7959 7.7959 7.7959 9.0225 9.0225 9.0225 9.0225 k = 0.5000-0.0000 0.0327 ( 4682 PWs) bands (ev): -7.7017 -7.7017 -7.7017 -7.7017 -7.5600 -7.5600 -7.5600 -7.5600 -3.6981 -3.6981 -3.6981 -3.6981 -2.9953 -2.9953 -2.9953 -2.9953 1.7454 1.7454 1.7454 1.7454 2.4002 2.4002 2.4002 2.4002 2.4083 2.4083 2.4083 2.4083 3.5877 3.5877 3.5877 3.5877 5.7024 5.7024 5.7024 5.7024 5.8225 5.8225 5.8225 5.8225 7.7626 7.7626 7.7626 7.7626 9.0425 9.0425 9.0425 9.0425 k = 0.5000-0.0000 0.0218 ( 4680 PWs) bands (ev): -7.7034 -7.7034 -7.7034 -7.7034 -7.5581 -7.5581 -7.5581 -7.5581 -3.7058 -3.7058 -3.7058 -3.7058 -2.9850 -2.9850 -2.9850 -2.9850 1.7268 1.7268 1.7268 1.7268 2.3988 2.3988 2.3988 2.3988 2.4089 2.4089 2.4089 2.4089 3.6141 3.6141 3.6141 3.6141 5.7043 5.7043 5.7043 5.7043 5.8256 5.8256 5.8256 5.8256 7.7378 7.7378 7.7378 7.7378 9.0569 9.0569 9.0569 9.0569 k = 0.5000-0.0000 0.0109 ( 4682 PWs) bands (ev): -7.7043 -7.7043 -7.7043 -7.7043 -7.5569 -7.5569 -7.5569 -7.5569 -3.7104 -3.7104 -3.7104 -3.7104 -2.9788 -2.9788 -2.9788 -2.9788 1.7156 1.7156 1.7156 1.7156 2.3978 2.3978 2.3978 2.3978 2.4095 2.4095 2.4095 2.4095 3.6301 3.6301 3.6301 3.6301 5.7055 5.7055 5.7055 5.7055 5.8276 5.8276 5.8276 5.8276 7.7225 7.7225 7.7225 7.7225 9.0656 9.0656 9.0656 9.0656 k = 0.5000-0.0000-0.0000 ( 4682 PWs) bands (ev): -7.7047 -7.7047 -7.7047 -7.7047 -7.5565 -7.5565 -7.5565 -7.5565 -3.7120 -3.7120 -3.7120 -3.7120 -2.9767 -2.9767 -2.9767 -2.9767 1.7118 1.7118 1.7118 1.7118 2.3974 2.3974 2.3974 2.3974 2.4097 2.4097 2.4097 2.4097 3.6355 3.6355 3.6355 3.6355 5.7059 5.7059 5.7059 5.7059 5.8282 5.8282 5.8282 5.8282 7.7174 7.7174 7.7174 7.7174 9.0685 9.0685 9.0685 9.0685 k = 0.5000 0.4242-0.0000 ( 4708 PWs) bands (ev): -7.5395 -7.5395 -7.5395 -7.5395 -7.4547 -7.4547 -7.4547 -7.4547 -3.3446 -3.3446 -3.3446 -3.3446 -2.9166 -2.9166 -2.9166 -2.9166 1.0203 1.0203 1.0203 1.0203 1.2504 1.2504 1.2504 1.2504 2.1568 2.1568 2.1568 2.1568 2.9824 2.9824 2.9824 2.9824 3.9338 3.9338 3.9338 3.9338 4.8740 4.8740 4.8740 4.8740 8.8121 8.8121 8.8121 8.8121 9.9859 9.9859 9.9859 9.9859 k = 0.5000 0.4242 0.0109 ( 4712 PWs) bands (ev): -7.5393 -7.5393 -7.5393 -7.5393 -7.4549 -7.4549 -7.4549 -7.4549 -3.3436 -3.3436 -3.3436 -3.3436 -2.9178 -2.9178 -2.9178 -2.9178 1.0214 1.0214 1.0214 1.0214 1.2516 1.2516 1.2516 1.2516 2.1551 2.1551 2.1551 2.1551 2.9777 2.9777 2.9777 2.9777 3.9385 3.9385 3.9385 3.9385 4.8753 4.8753 4.8753 4.8753 8.8092 8.8092 8.8092 8.8092 9.9786 9.9786 9.9786 9.9786 k = 0.5000 0.4242 0.0218 ( 4712 PWs) bands (ev): -7.5387 -7.5387 -7.5387 -7.5387 -7.4556 -7.4556 -7.4556 -7.4556 -3.3408 -3.3408 -3.3408 -3.3408 -2.9212 -2.9212 -2.9212 -2.9212 1.0246 1.0246 1.0246 1.0246 1.2550 1.2550 1.2550 1.2550 2.1502 2.1502 2.1502 2.1502 2.9638 2.9638 2.9638 2.9638 3.9525 3.9525 3.9525 3.9525 4.8789 4.8789 4.8789 4.8789 8.8007 8.8007 8.8007 8.8007 9.9570 9.9570 9.9570 9.9570 k = 0.5000 0.4242 0.0327 ( 4712 PWs) bands (ev): -7.5377 -7.5377 -7.5377 -7.5377 -7.4566 -7.4566 -7.4566 -7.4566 -3.3362 -3.3362 -3.3362 -3.3362 -2.9269 -2.9269 -2.9269 -2.9269 1.0300 1.0300 1.0300 1.0300 1.2606 1.2606 1.2606 1.2606 2.1426 2.1426 2.1426 2.1426 2.9412 2.9412 2.9412 2.9412 3.9753 3.9753 3.9753 3.9753 4.8842 4.8842 4.8842 4.8842 8.7879 8.7879 8.7879 8.7879 9.9220 9.9220 9.9220 9.9220 k = 0.5000 0.4242 0.0437 ( 4712 PWs) bands (ev): -7.5364 -7.5364 -7.5364 -7.5364 -7.4581 -7.4581 -7.4581 -7.4581 -3.3297 -3.3297 -3.3297 -3.3297 -2.9347 -2.9347 -2.9347 -2.9347 1.0375 1.0375 1.0375 1.0375 1.2677 1.2677 1.2677 1.2677 2.1332 2.1332 2.1332 2.1332 2.9106 2.9106 2.9106 2.9106 4.0063 4.0063 4.0063 4.0063 4.8904 4.8904 4.8904 4.8904 8.7722 8.7722 8.7722 8.7722 9.8748 9.8748 9.8748 9.8748 k = 0.5000 0.4242 0.0546 ( 4708 PWs) bands (ev): -7.5347 -7.5347 -7.5347 -7.5347 -7.4600 -7.4600 -7.4600 -7.4600 -3.3215 -3.3215 -3.3215 -3.3215 -2.9446 -2.9446 -2.9446 -2.9446 1.0471 1.0471 1.0471 1.0471 1.2760 1.2760 1.2760 1.2760 2.1229 2.1229 2.1229 2.1229 2.8728 2.8728 2.8728 2.8728 4.0447 4.0447 4.0447 4.0447 4.8963 4.8963 4.8963 4.8963 8.7557 8.7557 8.7557 8.7557 9.8169 9.8169 9.8169 9.8169 k = 0.5000 0.4242 0.0655 ( 4716 PWs) bands (ev): -7.5327 -7.5327 -7.5327 -7.5327 -7.4622 -7.4622 -7.4622 -7.4622 -3.3115 -3.3115 -3.3115 -3.3115 -2.9564 -2.9564 -2.9564 -2.9564 1.0586 1.0586 1.0586 1.0586 1.2847 1.2847 1.2847 1.2847 2.1131 2.1131 2.1131 2.1131 2.8290 2.8290 2.8290 2.8290 4.0895 4.0895 4.0895 4.0895 4.9007 4.9007 4.9007 4.9007 8.7404 8.7404 8.7404 8.7404 9.7500 9.7500 9.7500 9.7500 k = 0.5000 0.4242 0.0764 ( 4716 PWs) bands (ev): -7.5303 -7.5303 -7.5303 -7.5303 -7.4647 -7.4647 -7.4647 -7.4647 -3.3000 -3.3000 -3.3000 -3.3000 -2.9700 -2.9700 -2.9700 -2.9700 1.0720 1.0720 1.0720 1.0720 1.2930 1.2930 1.2930 1.2930 2.1052 2.1052 2.1052 2.1052 2.7803 2.7803 2.7803 2.7803 4.1398 4.1398 4.1398 4.1398 4.9024 4.9024 4.9024 4.9024 8.7284 8.7284 8.7284 8.7284 9.6761 9.6761 9.6761 9.6761 k = 0.5000 0.4242 0.0873 ( 4724 PWs) bands (ev): -7.5276 -7.5276 -7.5276 -7.5276 -7.4676 -7.4676 -7.4676 -7.4676 -3.2868 -3.2868 -3.2868 -3.2868 -2.9852 -2.9852 -2.9852 -2.9852 1.0871 1.0871 1.0871 1.0871 1.3000 1.3000 1.3000 1.3000 2.1005 2.1005 2.1005 2.1005 2.7276 2.7276 2.7276 2.7276 4.1945 4.1945 4.1945 4.1945 4.9001 4.9001 4.9001 4.9001 8.7214 8.7214 8.7214 8.7214 9.5969 9.5969 9.5969 9.5969 k = 0.5000 0.4242 0.0982 ( 4732 PWs) bands (ev): -7.5246 -7.5246 -7.5246 -7.5246 -7.4708 -7.4708 -7.4708 -7.4708 -3.2723 -3.2723 -3.2723 -3.2723 -3.0018 -3.0018 -3.0018 -3.0018 1.1038 1.1038 1.1038 1.1038 1.3047 1.3047 1.3047 1.3047 2.1005 2.1005 2.1005 2.1005 2.6720 2.6720 2.6720 2.6720 4.2526 4.2526 4.2526 4.2526 4.8929 4.8929 4.8929 4.8929 8.7211 8.7211 8.7211 8.7211 9.5141 9.5141 9.5141 9.5141 k = 0.5000 0.4242 0.1092 ( 4732 PWs) bands (ev): -7.5213 -7.5213 -7.5213 -7.5213 -7.4742 -7.4742 -7.4742 -7.4742 -3.2564 -3.2564 -3.2564 -3.2564 -3.0197 -3.0197 -3.0197 -3.0197 1.1219 1.1219 1.1219 1.1219 1.3065 1.3065 1.3065 1.3065 2.1063 2.1063 2.1063 2.1063 2.6147 2.6147 2.6147 2.6147 4.3130 4.3130 4.3130 4.3130 4.8799 4.8799 4.8799 4.8799 8.7286 8.7286 8.7286 8.7286 9.4293 9.4293 9.4293 9.4293 k = 0.5000 0.4242 0.1201 ( 4740 PWs) bands (ev): -7.5179 -7.5179 -7.5179 -7.5179 -7.4779 -7.4779 -7.4779 -7.4779 -3.2394 -3.2394 -3.2394 -3.2394 -3.0386 -3.0386 -3.0386 -3.0386 1.1411 1.1411 1.1411 1.1411 1.3046 1.3046 1.3046 1.3046 2.1186 2.1186 2.1186 2.1186 2.5564 2.5564 2.5564 2.5564 4.3747 4.3747 4.3747 4.3747 4.8608 4.8608 4.8608 4.8608 8.7447 8.7447 8.7447 8.7447 9.3441 9.3441 9.3441 9.3441 k = 0.5000 0.4242 0.1310 ( 4732 PWs) bands (ev): -7.5142 -7.5142 -7.5142 -7.5142 -7.4817 -7.4817 -7.4817 -7.4817 -3.2213 -3.2213 -3.2213 -3.2213 -3.0583 -3.0583 -3.0583 -3.0583 1.1612 1.1612 1.1612 1.1612 1.2989 1.2989 1.2989 1.2989 2.1379 2.1379 2.1379 2.1379 2.4983 2.4983 2.4983 2.4983 4.4367 4.4367 4.4367 4.4367 4.8352 4.8352 4.8352 4.8352 8.7699 8.7699 8.7699 8.7699 9.2599 9.2599 9.2599 9.2599 k = 0.5000 0.4242 0.1419 ( 4732 PWs) bands (ev): -7.5104 -7.5104 -7.5104 -7.5104 -7.4857 -7.4857 -7.4857 -7.4857 -3.2022 -3.2022 -3.2022 -3.2022 -3.0787 -3.0787 -3.0787 -3.0787 1.1818 1.1818 1.1818 1.1818 1.2894 1.2894 1.2894 1.2894 2.1642 2.1642 2.1642 2.1642 2.4412 2.4412 2.4412 2.4412 4.4980 4.4980 4.4980 4.4980 4.8031 4.8031 4.8031 4.8031 8.8044 8.8044 8.8044 8.8044 9.1782 9.1782 9.1782 9.1782 k = 0.5000 0.4242 0.1528 ( 4728 PWs) bands (ev): -7.5064 -7.5064 -7.5064 -7.5064 -7.4897 -7.4897 -7.4897 -7.4897 -3.1825 -3.1825 -3.1825 -3.1825 -3.0994 -3.0994 -3.0994 -3.0994 1.2025 1.2025 1.2025 1.2025 1.2766 1.2766 1.2766 1.2766 2.1969 2.1969 2.1969 2.1969 2.3862 2.3862 2.3862 2.3862 4.5574 4.5574 4.5574 4.5574 4.7651 4.7651 4.7651 4.7651 8.8479 8.8479 8.8479 8.8479 9.1002 9.1002 9.1002 9.1002 k = 0.5000 0.4242 0.1637 ( 4720 PWs) bands (ev): -7.5024 -7.5024 -7.5024 -7.5024 -7.4938 -7.4938 -7.4938 -7.4938 -3.1622 -3.1622 -3.1622 -3.1622 -3.1203 -3.1203 -3.1203 -3.1203 1.2226 1.2226 1.2226 1.2226 1.2612 1.2612 1.2612 1.2612 2.2349 2.2349 2.2349 2.2349 2.3348 2.3348 2.3348 2.3348 4.6132 4.6132 4.6132 4.6132 4.7222 4.7222 4.7222 4.7222 8.9000 8.9000 8.9000 8.9000 9.0272 9.0272 9.0272 9.0272 k = 0.5000 0.4242 0.1747 ( 4720 PWs) bands (ev): -7.4992 -7.4992 -7.4992 -7.4992 -7.4969 -7.4969 -7.4969 -7.4969 -3.1435 -3.1435 -3.1435 -3.1435 -3.1393 -3.1393 -3.1393 -3.1393 1.2380 1.2380 1.2380 1.2380 1.2473 1.2473 1.2473 1.2473 2.2655 2.2655 2.2655 2.2655 2.2996 2.2996 2.2996 2.2996 4.6523 4.6523 4.6523 4.6523 4.6875 4.6875 4.6875 4.6875 8.9576 8.9576 8.9576 8.9576 8.9625 8.9625 8.9625 8.9625 Writing output data file GeS.save init_run : 0.14s CPU 1.37s WALL ( 1 calls) electrons : 180.60s CPU 183.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 180.59s CPU 183.14s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 400 calls) cegterg : 163.62s CPU 165.61s WALL ( 469 calls) Called by sum_band: Called by *egterg: h_psi : 89.12s CPU 91.00s WALL ( 8001 calls) s_psi : 13.23s CPU 13.28s WALL ( 8001 calls) g_psi : 0.32s CPU 0.32s WALL ( 7132 calls) cdiaghg : 54.49s CPU 54.67s WALL ( 7532 calls) cegterg:over : 7.31s CPU 7.21s WALL ( 7132 calls) cegterg:upda : 6.62s CPU 6.46s WALL ( 7132 calls) cegterg:last : 3.12s CPU 3.30s WALL ( 1361 calls) cdiaghg:chol : 3.12s CPU 3.13s WALL ( 7532 calls) cdiaghg:inve : 1.78s CPU 2.07s WALL ( 7532 calls) cdiaghg:para : 3.36s CPU 3.29s WALL ( 15064 calls) Called by h_psi: h_psi:vloc : 71.16s CPU 73.15s WALL ( 8001 calls) h_psi:vnl : 17.68s CPU 17.56s WALL ( 8001 calls) add_vuspsi : 9.32s CPU 9.22s WALL ( 8001 calls) General routines calbec : 8.32s CPU 8.31s WALL ( 8001 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 67.29s CPU 69.26s WALL ( 880920 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.25s WALL ( 800 calls) Parallel routines fft_scatter : 24.18s CPU 25.07s WALL ( 880943 calls) PWSCF : 3m19.09s CPU 3m35.93s WALL This run was terminated on: 18:56:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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