Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:18: 5 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: ./ZnTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 24 7 1269 664 108 Max 38 25 8 1272 675 111 Sum 1341 871 265 45723 24087 3955 bravais-lattice index = 14 lattice parameter (alat) = 7.8405 a.u. unit-cell volume = 589.9748 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.840472 celldm(2)= 1.000000 celldm(3)= 1.232104 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.114001 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.114001 0.993481 0.000000 ) a(3) = ( 0.000000 0.000000 1.232104 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.114749 -0.000000 ) b(2) = ( 0.000000 1.006562 -0.000000 ) b(3) = ( 0.000000 0.000000 0.811620 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Te 6.00 127.60000 Te( 1.00) Zn 12.00 65.40900 Zn( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6160522 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6160522 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 422 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 2) = ( 0.0086314 0.0096785 -0.0000000), wk = 0.0023697 k( 3) = ( 0.0172628 0.0193570 -0.0000000), wk = 0.0023697 k( 4) = ( 0.0258942 0.0290354 -0.0000000), wk = 0.0023697 k( 5) = ( 0.0345256 0.0387139 -0.0000000), wk = 0.0023697 k( 6) = ( 0.0431570 0.0483924 -0.0000000), wk = 0.0023697 k( 7) = ( 0.0517884 0.0580709 -0.0000000), wk = 0.0023697 k( 8) = ( 0.0604198 0.0677494 -0.0000000), wk = 0.0023697 k( 9) = ( 0.0690512 0.0774279 -0.0000000), wk = 0.0023697 k( 10) = ( 0.0776826 0.0871063 -0.0000000), wk = 0.0023697 k( 11) = ( 0.0863140 0.0967848 -0.0000000), wk = 0.0023697 k( 12) = ( 0.0949454 0.1064633 -0.0000000), wk = 0.0023697 k( 13) = ( 0.1035768 0.1161418 -0.0000000), wk = 0.0023697 k( 14) = ( 0.1122082 0.1258203 -0.0000000), wk = 0.0023697 k( 15) = ( 0.1208396 0.1354987 -0.0000000), wk = 0.0023697 k( 16) = ( 0.1294710 0.1451772 -0.0000000), wk = 0.0023697 k( 17) = ( 0.1381024 0.1548557 -0.0000000), wk = 0.0023697 k( 18) = ( 0.1467338 0.1645342 -0.0000000), wk = 0.0023697 k( 19) = ( 0.1553652 0.1742127 -0.0000000), wk = 0.0023697 k( 20) = ( 0.1639966 0.1838911 -0.0000000), wk = 0.0023697 k( 21) = ( 0.1726280 0.1935696 -0.0000000), wk = 0.0023697 k( 22) = ( 0.1812594 0.2032481 -0.0000000), wk = 0.0023697 k( 23) = ( 0.1898908 0.2129266 -0.0000000), wk = 0.0023697 k( 24) = ( 0.1985222 0.2226051 -0.0000000), wk = 0.0023697 k( 25) = ( 0.2071536 0.2322836 -0.0000000), wk = 0.0023697 k( 26) = ( 0.2157850 0.2419620 -0.0000000), wk = 0.0023697 k( 27) = ( 0.2244164 0.2516405 -0.0000000), wk = 0.0023697 k( 28) = ( 0.2330478 0.2613190 -0.0000000), wk = 0.0023697 k( 29) = ( 0.2416792 0.2709975 -0.0000000), wk = 0.0023697 k( 30) = ( 0.2503106 0.2806760 -0.0000000), wk = 0.0023697 k( 31) = ( 0.2589420 0.2903545 -0.0000000), wk = 0.0023697 k( 32) = ( 0.2675734 0.3000329 -0.0000000), wk = 0.0023697 k( 33) = ( 0.2762048 0.3097114 -0.0000000), wk = 0.0023697 k( 34) = ( 0.2848362 0.3193899 -0.0000000), wk = 0.0023697 k( 35) = ( 0.2934676 0.3290684 -0.0000000), wk = 0.0023697 k( 36) = ( 0.3020990 0.3387469 -0.0000000), wk = 0.0023697 k( 37) = ( 0.3107304 0.3484253 -0.0000000), wk = 0.0023697 k( 38) = ( 0.3193618 0.3581038 -0.0000000), wk = 0.0023697 k( 39) = ( 0.3279932 0.3677823 -0.0000000), wk = 0.0023697 k( 40) = ( 0.3366246 0.3774608 -0.0000000), wk = 0.0023697 k( 41) = ( 0.3452560 0.3871393 -0.0000000), wk = 0.0023697 k( 42) = ( 0.3538874 0.3968178 -0.0000000), wk = 0.0023697 k( 43) = ( 0.3625188 0.4064962 -0.0000000), wk = 0.0023697 k( 44) = ( 0.3711502 0.4161747 -0.0000000), wk = 0.0023697 k( 45) = ( 0.3797816 0.4258532 -0.0000000), wk = 0.0023697 k( 46) = ( 0.3884130 0.4355317 -0.0000000), wk = 0.0023697 k( 47) = ( 0.3970444 0.4452102 -0.0000000), wk = 0.0023697 k( 48) = ( 0.4056758 0.4548886 -0.0000000), wk = 0.0023697 k( 49) = ( 0.4143072 0.4645671 -0.0000000), wk = 0.0023697 k( 50) = ( 0.4229386 0.4742456 -0.0000000), wk = 0.0023697 k( 51) = ( 0.4315700 0.4839241 -0.0000000), wk = 0.0023697 k( 52) = ( 0.4402014 0.4936026 -0.0000000), wk = 0.0023697 k( 53) = ( 0.4488328 0.5032811 -0.0000000), wk = 0.0023697 k( 54) = ( 0.4488328 0.5032811 -0.0000000), wk = 0.0023697 k( 55) = ( 0.4356318 0.5032811 -0.0000000), wk = 0.0023697 k( 56) = ( 0.4224308 0.5032811 -0.0000000), wk = 0.0023697 k( 57) = ( 0.4092299 0.5032811 -0.0000000), wk = 0.0023697 k( 58) = ( 0.3960289 0.5032811 -0.0000000), wk = 0.0023697 k( 59) = ( 0.3828279 0.5032811 -0.0000000), wk = 0.0023697 k( 60) = ( 0.3696270 0.5032811 -0.0000000), wk = 0.0023697 k( 61) = ( 0.3564260 0.5032811 -0.0000000), wk = 0.0023697 k( 62) = ( 0.3432250 0.5032811 -0.0000000), wk = 0.0023697 k( 63) = ( 0.3300241 0.5032811 -0.0000000), wk = 0.0023697 k( 64) = ( 0.3168231 0.5032811 -0.0000000), wk = 0.0023697 k( 65) = ( 0.3036222 0.5032811 -0.0000000), wk = 0.0023697 k( 66) = ( 0.2904212 0.5032811 -0.0000000), wk = 0.0023697 k( 67) = ( 0.2772202 0.5032811 -0.0000000), wk = 0.0023697 k( 68) = ( 0.2640193 0.5032811 -0.0000000), wk = 0.0023697 k( 69) = ( 0.2508183 0.5032811 -0.0000000), wk = 0.0023697 k( 70) = ( 0.2376173 0.5032811 -0.0000000), wk = 0.0023697 k( 71) = ( 0.2244164 0.5032811 -0.0000000), wk = 0.0023697 k( 72) = ( 0.2112154 0.5032811 -0.0000000), wk = 0.0023697 k( 73) = ( 0.1980145 0.5032811 -0.0000000), wk = 0.0023697 k( 74) = ( 0.1848135 0.5032811 -0.0000000), wk = 0.0023697 k( 75) = ( 0.1716125 0.5032811 -0.0000000), wk = 0.0023697 k( 76) = ( 0.1584116 0.5032811 -0.0000000), wk = 0.0023697 k( 77) = ( 0.1452106 0.5032811 -0.0000000), wk = 0.0023697 k( 78) = ( 0.1320096 0.5032811 -0.0000000), wk = 0.0023697 k( 79) = ( 0.1188087 0.5032811 -0.0000000), wk = 0.0023697 k( 80) = ( 0.1056077 0.5032811 -0.0000000), wk = 0.0023697 k( 81) = ( 0.0924067 0.5032811 -0.0000000), wk = 0.0023697 k( 82) = ( 0.0792058 0.5032811 -0.0000000), wk = 0.0023697 k( 83) = ( 0.0660048 0.5032811 -0.0000000), wk = 0.0023697 k( 84) = ( 0.0528038 0.5032810 -0.0000000), wk = 0.0023697 k( 85) = ( 0.0396029 0.5032811 -0.0000000), wk = 0.0023697 k( 86) = ( 0.0264019 0.5032811 -0.0000000), wk = 0.0023697 k( 87) = ( 0.0132010 0.5032811 -0.0000000), wk = 0.0023697 k( 88) = ( 0.0000000 0.5032811 -0.0000000), wk = 0.0023697 k( 89) = ( 0.0000000 0.5032811 -0.0000000), wk = 0.0023697 k( 90) = ( 0.0000000 0.5032811 0.0130906), wk = 0.0023697 k( 91) = ( 0.0000000 0.5032811 0.0261813), wk = 0.0023697 k( 92) = ( 0.0000000 0.5032811 0.0392719), wk = 0.0023697 k( 93) = ( 0.0000000 0.5032811 0.0523626), wk = 0.0023697 k( 94) = ( 0.0000000 0.5032811 0.0654532), wk = 0.0023697 k( 95) = ( 0.0000000 0.5032811 0.0785438), wk = 0.0023697 k( 96) = ( 0.0000000 0.5032811 0.0916345), wk = 0.0023697 k( 97) = ( 0.0000000 0.5032811 0.1047251), wk = 0.0023697 k( 98) = ( 0.0000000 0.5032811 0.1178157), wk = 0.0023697 k( 99) = ( 0.0000000 0.5032811 0.1309064), wk = 0.0023697 k( 100) = ( 0.0000000 0.5032811 0.1439970), wk = 0.0023697 k( 101) = ( 0.0000000 0.5032811 0.1570877), wk = 0.0023697 k( 102) = ( 0.0000000 0.5032811 0.1701783), wk = 0.0023697 k( 103) = ( 0.0000000 0.5032811 0.1832689), wk = 0.0023697 k( 104) = ( 0.0000000 0.5032811 0.1963596), wk = 0.0023697 k( 105) = ( 0.0000000 0.5032811 0.2094502), wk = 0.0023697 k( 106) = ( 0.0000000 0.5032811 0.2225408), wk = 0.0023697 k( 107) = ( 0.0000000 0.5032811 0.2356315), wk = 0.0023697 k( 108) = ( 0.0000000 0.5032811 0.2487221), wk = 0.0023697 k( 109) = ( 0.0000000 0.5032811 0.2618128), wk = 0.0023697 k( 110) = ( 0.0000000 0.5032811 0.2749034), wk = 0.0023697 k( 111) = ( 0.0000000 0.5032811 0.2879940), wk = 0.0023697 k( 112) = ( 0.0000000 0.5032811 0.3010847), wk = 0.0023697 k( 113) = ( 0.0000000 0.5032811 0.3141753), wk = 0.0023697 k( 114) = ( 0.0000000 0.5032811 0.3272660), wk = 0.0023697 k( 115) = ( 0.0000000 0.5032811 0.3403566), wk = 0.0023697 k( 116) = ( 0.0000000 0.5032811 0.3534472), wk = 0.0023697 k( 117) = ( 0.0000000 0.5032811 0.3665379), wk = 0.0023697 k( 118) = ( 0.0000000 0.5032811 0.3796285), wk = 0.0023697 k( 119) = ( 0.0000000 0.5032811 0.3927191), wk = 0.0023697 k( 120) = ( 0.0000000 0.5032811 0.4058098), wk = 0.0023697 k( 121) = ( 0.0000000 0.5032811 0.4058098), wk = 0.0023697 k( 122) = ( 0.0132010 0.5032811 0.4058098), wk = 0.0023697 k( 123) = ( 0.0264019 0.5032811 0.4058098), wk = 0.0023697 k( 124) = ( 0.0396029 0.5032811 0.4058098), wk = 0.0023697 k( 125) = ( 0.0528038 0.5032810 0.4058098), wk = 0.0023697 k( 126) = ( 0.0660048 0.5032811 0.4058098), wk = 0.0023697 k( 127) = ( 0.0792058 0.5032811 0.4058098), wk = 0.0023697 k( 128) = ( 0.0924067 0.5032811 0.4058098), wk = 0.0023697 k( 129) = ( 0.1056077 0.5032811 0.4058098), wk = 0.0023697 k( 130) = ( 0.1188087 0.5032811 0.4058098), wk = 0.0023697 k( 131) = ( 0.1320096 0.5032811 0.4058098), wk = 0.0023697 k( 132) = ( 0.1452106 0.5032811 0.4058098), wk = 0.0023697 k( 133) = ( 0.1584116 0.5032811 0.4058098), wk = 0.0023697 k( 134) = ( 0.1716125 0.5032811 0.4058098), wk = 0.0023697 k( 135) = ( 0.1848135 0.5032811 0.4058098), wk = 0.0023697 k( 136) = ( 0.1980145 0.5032811 0.4058098), wk = 0.0023697 k( 137) = ( 0.2112154 0.5032811 0.4058098), wk = 0.0023697 k( 138) = ( 0.2244164 0.5032811 0.4058098), wk = 0.0023697 k( 139) = ( 0.2376173 0.5032811 0.4058098), wk = 0.0023697 k( 140) = ( 0.2508183 0.5032811 0.4058098), wk = 0.0023697 k( 141) = ( 0.2640193 0.5032811 0.4058098), wk = 0.0023697 k( 142) = ( 0.2772202 0.5032811 0.4058098), wk = 0.0023697 k( 143) = ( 0.2904212 0.5032811 0.4058098), wk = 0.0023697 k( 144) = ( 0.3036222 0.5032811 0.4058098), wk = 0.0023697 k( 145) = ( 0.3168231 0.5032811 0.4058098), wk = 0.0023697 k( 146) = ( 0.3300241 0.5032811 0.4058098), wk = 0.0023697 k( 147) = ( 0.3432250 0.5032811 0.4058098), wk = 0.0023697 k( 148) = ( 0.3564260 0.5032811 0.4058098), wk = 0.0023697 k( 149) = ( 0.3696270 0.5032811 0.4058098), wk = 0.0023697 k( 150) = ( 0.3828279 0.5032811 0.4058098), wk = 0.0023697 k( 151) = ( 0.3960289 0.5032811 0.4058098), wk = 0.0023697 k( 152) = ( 0.4092299 0.5032811 0.4058098), wk = 0.0023697 k( 153) = ( 0.4224308 0.5032811 0.4058098), wk = 0.0023697 k( 154) = ( 0.4356318 0.5032811 0.4058098), wk = 0.0023697 k( 155) = ( 0.4488328 0.5032811 0.4058098), wk = 0.0023697 k( 156) = ( 0.4488328 0.5032811 0.4058098), wk = 0.0023697 k( 157) = ( 0.4402014 0.4936026 0.4058098), wk = 0.0023697 k( 158) = ( 0.4315700 0.4839241 0.4058098), wk = 0.0023697 k( 159) = ( 0.4229386 0.4742456 0.4058098), wk = 0.0023697 k( 160) = ( 0.4143072 0.4645671 0.4058098), wk = 0.0023697 k( 161) = ( 0.4056758 0.4548886 0.4058098), wk = 0.0023697 k( 162) = ( 0.3970444 0.4452102 0.4058098), wk = 0.0023697 k( 163) = ( 0.3884130 0.4355317 0.4058098), wk = 0.0023697 k( 164) = ( 0.3797816 0.4258532 0.4058098), wk = 0.0023697 k( 165) = ( 0.3711502 0.4161747 0.4058098), wk = 0.0023697 k( 166) = ( 0.3625188 0.4064962 0.4058098), wk = 0.0023697 k( 167) = ( 0.3538874 0.3968178 0.4058098), wk = 0.0023697 k( 168) = ( 0.3452560 0.3871393 0.4058098), wk = 0.0023697 k( 169) = ( 0.3366246 0.3774608 0.4058098), wk = 0.0023697 k( 170) = ( 0.3279932 0.3677823 0.4058098), wk = 0.0023697 k( 171) = ( 0.3193618 0.3581038 0.4058098), wk = 0.0023697 k( 172) = ( 0.3107304 0.3484253 0.4058098), wk = 0.0023697 k( 173) = ( 0.3020990 0.3387469 0.4058098), wk = 0.0023697 k( 174) = ( 0.2934676 0.3290684 0.4058098), wk = 0.0023697 k( 175) = ( 0.2848362 0.3193899 0.4058098), wk = 0.0023697 k( 176) = ( 0.2762048 0.3097114 0.4058098), wk = 0.0023697 k( 177) = ( 0.2675734 0.3000329 0.4058098), wk = 0.0023697 k( 178) = ( 0.2589420 0.2903545 0.4058098), wk = 0.0023697 k( 179) = ( 0.2503106 0.2806760 0.4058098), wk = 0.0023697 k( 180) = ( 0.2416792 0.2709975 0.4058098), wk = 0.0023697 k( 181) = ( 0.2330478 0.2613190 0.4058098), wk = 0.0023697 k( 182) = ( 0.2244164 0.2516405 0.4058098), wk = 0.0023697 k( 183) = ( 0.2157850 0.2419620 0.4058098), wk = 0.0023697 k( 184) = ( 0.2071536 0.2322836 0.4058098), wk = 0.0023697 k( 185) = ( 0.1985222 0.2226051 0.4058098), wk = 0.0023697 k( 186) = ( 0.1898908 0.2129266 0.4058098), wk = 0.0023697 k( 187) = ( 0.1812594 0.2032481 0.4058098), wk = 0.0023697 k( 188) = ( 0.1726280 0.1935696 0.4058098), wk = 0.0023697 k( 189) = ( 0.1639966 0.1838911 0.4058098), wk = 0.0023697 k( 190) = ( 0.1553652 0.1742127 0.4058098), wk = 0.0023697 k( 191) = ( 0.1467338 0.1645342 0.4058098), wk = 0.0023697 k( 192) = ( 0.1381024 0.1548557 0.4058098), wk = 0.0023697 k( 193) = ( 0.1294710 0.1451772 0.4058098), wk = 0.0023697 k( 194) = ( 0.1208396 0.1354987 0.4058098), wk = 0.0023697 k( 195) = ( 0.1122082 0.1258203 0.4058098), wk = 0.0023697 k( 196) = ( 0.1035768 0.1161418 0.4058098), wk = 0.0023697 k( 197) = ( 0.0949454 0.1064633 0.4058098), wk = 0.0023697 k( 198) = ( 0.0863140 0.0967848 0.4058098), wk = 0.0023697 k( 199) = ( 0.0776826 0.0871063 0.4058098), wk = 0.0023697 k( 200) = ( 0.0690512 0.0774279 0.4058098), wk = 0.0023697 k( 201) = ( 0.0604198 0.0677494 0.4058098), wk = 0.0023697 k( 202) = ( 0.0517884 0.0580709 0.4058098), wk = 0.0023697 k( 203) = ( 0.0431570 0.0483924 0.4058098), wk = 0.0023697 k( 204) = ( 0.0345256 0.0387139 0.4058098), wk = 0.0023697 k( 205) = ( 0.0258942 0.0290354 0.4058098), wk = 0.0023697 k( 206) = ( 0.0172628 0.0193570 0.4058098), wk = 0.0023697 k( 207) = ( 0.0086314 0.0096785 0.4058098), wk = 0.0023697 k( 208) = ( 0.0000000 0.0000000 0.4058098), wk = 0.0023697 k( 209) = ( 0.0000000 0.0000000 0.4058098), wk = 0.0023697 k( 210) = ( 0.0000000 0.0000000 0.3927191), wk = 0.0023697 k( 211) = ( 0.0000000 0.0000000 0.3796285), wk = 0.0023697 k( 212) = ( 0.0000000 0.0000000 0.3665379), wk = 0.0023697 k( 213) = ( 0.0000000 0.0000000 0.3534472), wk = 0.0023697 k( 214) = ( 0.0000000 0.0000000 0.3403566), wk = 0.0023697 k( 215) = ( 0.0000000 0.0000000 0.3272660), wk = 0.0023697 k( 216) = ( 0.0000000 0.0000000 0.3141753), wk = 0.0023697 k( 217) = ( 0.0000000 0.0000000 0.3010847), wk = 0.0023697 k( 218) = ( 0.0000000 0.0000000 0.2879940), wk = 0.0023697 k( 219) = ( 0.0000000 0.0000000 0.2749034), wk = 0.0023697 k( 220) = ( 0.0000000 0.0000000 0.2618128), wk = 0.0023697 k( 221) = ( 0.0000000 0.0000000 0.2487221), wk = 0.0023697 k( 222) = ( 0.0000000 0.0000000 0.2356315), wk = 0.0023697 k( 223) = ( 0.0000000 0.0000000 0.2225408), wk = 0.0023697 k( 224) = ( 0.0000000 0.0000000 0.2094502), wk = 0.0023697 k( 225) = ( 0.0000000 0.0000000 0.1963596), wk = 0.0023697 k( 226) = ( 0.0000000 0.0000000 0.1832689), wk = 0.0023697 k( 227) = ( 0.0000000 0.0000000 0.1701783), wk = 0.0023697 k( 228) = ( 0.0000000 0.0000000 0.1570877), wk = 0.0023697 k( 229) = ( 0.0000000 0.0000000 0.1439970), wk = 0.0023697 k( 230) = ( 0.0000000 0.0000000 0.1309064), wk = 0.0023697 k( 231) = ( 0.0000000 0.0000000 0.1178157), wk = 0.0023697 k( 232) = ( 0.0000000 0.0000000 0.1047251), wk = 0.0023697 k( 233) = ( 0.0000000 0.0000000 0.0916345), wk = 0.0023697 k( 234) = ( 0.0000000 0.0000000 0.0785438), wk = 0.0023697 k( 235) = ( 0.0000000 0.0000000 0.0654532), wk = 0.0023697 k( 236) = ( 0.0000000 0.0000000 0.0523626), wk = 0.0023697 k( 237) = ( 0.0000000 0.0000000 0.0392719), wk = 0.0023697 k( 238) = ( 0.0000000 0.0000000 0.0261813), wk = 0.0023697 k( 239) = ( 0.0000000 0.0000000 0.0130906), wk = 0.0023697 k( 240) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 241) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 242) = ( -0.0098039 0.0087433 -0.0000000), wk = 0.0023697 k( 243) = ( -0.0196078 0.0174865 -0.0000000), wk = 0.0023697 k( 244) = ( -0.0294118 0.0262298 -0.0000000), wk = 0.0023697 k( 245) = ( -0.0392157 0.0349731 -0.0000000), wk = 0.0023697 k( 246) = ( -0.0490196 0.0437163 -0.0000000), wk = 0.0023697 k( 247) = ( -0.0588235 0.0524596 -0.0000000), wk = 0.0023697 k( 248) = ( -0.0686275 0.0612029 -0.0000000), wk = 0.0023697 k( 249) = ( -0.0784314 0.0699461 -0.0000000), wk = 0.0023697 k( 250) = ( -0.0882353 0.0786894 -0.0000000), wk = 0.0023697 k( 251) = ( -0.0980392 0.0874327 -0.0000000), wk = 0.0023697 k( 252) = ( -0.1078431 0.0961760 -0.0000000), wk = 0.0023697 k( 253) = ( -0.1176471 0.1049192 -0.0000000), wk = 0.0023697 k( 254) = ( -0.1274510 0.1136625 -0.0000000), wk = 0.0023697 k( 255) = ( -0.1372549 0.1224058 -0.0000000), wk = 0.0023697 k( 256) = ( -0.1470588 0.1311490 -0.0000000), wk = 0.0023697 k( 257) = ( -0.1568627 0.1398923 -0.0000000), wk = 0.0023697 k( 258) = ( -0.1666667 0.1486356 -0.0000000), wk = 0.0023697 k( 259) = ( -0.1764706 0.1573788 -0.0000000), wk = 0.0023697 k( 260) = ( -0.1862745 0.1661221 -0.0000000), wk = 0.0023697 k( 261) = ( -0.1960784 0.1748654 -0.0000000), wk = 0.0023697 k( 262) = ( -0.2058823 0.1836086 -0.0000000), wk = 0.0023697 k( 263) = ( -0.2156863 0.1923519 -0.0000000), wk = 0.0023697 k( 264) = ( -0.2254902 0.2010952 -0.0000000), wk = 0.0023697 k( 265) = ( -0.2352941 0.2098384 -0.0000000), wk = 0.0023697 k( 266) = ( -0.2450980 0.2185817 -0.0000000), wk = 0.0023697 k( 267) = ( -0.2549020 0.2273250 -0.0000000), wk = 0.0023697 k( 268) = ( -0.2647059 0.2360682 -0.0000000), wk = 0.0023697 k( 269) = ( -0.2745098 0.2448115 -0.0000000), wk = 0.0023697 k( 270) = ( -0.2843137 0.2535548 -0.0000000), wk = 0.0023697 k( 271) = ( -0.2941177 0.2622980 -0.0000000), wk = 0.0023697 k( 272) = ( -0.3039216 0.2710413 -0.0000000), wk = 0.0023697 k( 273) = ( -0.3137255 0.2797846 -0.0000000), wk = 0.0023697 k( 274) = ( -0.3235294 0.2885278 -0.0000000), wk = 0.0023697 k( 275) = ( -0.3333333 0.2972711 -0.0000000), wk = 0.0023697 k( 276) = ( -0.3431373 0.3060144 -0.0000000), wk = 0.0023697 k( 277) = ( -0.3529412 0.3147577 -0.0000000), wk = 0.0023697 k( 278) = ( -0.3627451 0.3235009 -0.0000000), wk = 0.0023697 k( 279) = ( -0.3725490 0.3322442 -0.0000000), wk = 0.0023697 k( 280) = ( -0.3823529 0.3409875 -0.0000000), wk = 0.0023697 k( 281) = ( -0.3921569 0.3497307 -0.0000000), wk = 0.0023697 k( 282) = ( -0.4019608 0.3584740 -0.0000000), wk = 0.0023697 k( 283) = ( -0.4117647 0.3672173 -0.0000000), wk = 0.0023697 k( 284) = ( -0.4215686 0.3759605 -0.0000000), wk = 0.0023697 k( 285) = ( -0.4313726 0.3847038 -0.0000000), wk = 0.0023697 k( 286) = ( -0.4411765 0.3934471 -0.0000000), wk = 0.0023697 k( 287) = ( -0.4509804 0.4021903 -0.0000000), wk = 0.0023697 k( 288) = ( -0.4607843 0.4109336 -0.0000000), wk = 0.0023697 k( 289) = ( -0.4705882 0.4196769 -0.0000000), wk = 0.0023697 k( 290) = ( -0.4803922 0.4284201 -0.0000000), wk = 0.0023697 k( 291) = ( -0.4901961 0.4371634 -0.0000000), wk = 0.0023697 k( 292) = ( -0.5000000 0.4459067 -0.0000000), wk = 0.0023697 k( 293) = ( -0.5000000 0.4459067 -0.0000000), wk = 0.0023697 k( 294) = ( -0.4914721 0.4554691 -0.0000000), wk = 0.0023697 k( 295) = ( -0.4829443 0.4650315 -0.0000000), wk = 0.0023697 k( 296) = ( -0.4744164 0.4745939 -0.0000000), wk = 0.0023697 k( 297) = ( -0.4658885 0.4841563 -0.0000000), wk = 0.0023697 k( 298) = ( -0.4573606 0.4937187 -0.0000000), wk = 0.0023697 k( 299) = ( -0.4488328 0.5032811 -0.0000000), wk = 0.0023697 k( 300) = ( -0.4488328 0.5032811 -0.0000000), wk = 0.0023697 k( 301) = ( -0.4488328 0.5032811 0.0130906), wk = 0.0023697 k( 302) = ( -0.4488328 0.5032811 0.0261813), wk = 0.0023697 k( 303) = ( -0.4488328 0.5032811 0.0392719), wk = 0.0023697 k( 304) = ( -0.4488328 0.5032811 0.0523626), wk = 0.0023697 k( 305) = ( -0.4488328 0.5032811 0.0654532), wk = 0.0023697 k( 306) = ( -0.4488328 0.5032811 0.0785438), wk = 0.0023697 k( 307) = ( -0.4488328 0.5032811 0.0916345), wk = 0.0023697 k( 308) = ( -0.4488328 0.5032811 0.1047251), wk = 0.0023697 k( 309) = ( -0.4488328 0.5032811 0.1178157), wk = 0.0023697 k( 310) = ( -0.4488328 0.5032811 0.1309064), wk = 0.0023697 k( 311) = ( -0.4488328 0.5032811 0.1439970), wk = 0.0023697 k( 312) = ( -0.4488328 0.5032811 0.1570877), wk = 0.0023697 k( 313) = ( -0.4488328 0.5032811 0.1701783), wk = 0.0023697 k( 314) = ( -0.4488328 0.5032811 0.1832689), wk = 0.0023697 k( 315) = ( -0.4488328 0.5032811 0.1963596), wk = 0.0023697 k( 316) = ( -0.4488328 0.5032811 0.2094502), wk = 0.0023697 k( 317) = ( -0.4488328 0.5032811 0.2225408), wk = 0.0023697 k( 318) = ( -0.4488328 0.5032811 0.2356315), wk = 0.0023697 k( 319) = ( -0.4488328 0.5032811 0.2487221), wk = 0.0023697 k( 320) = ( -0.4488328 0.5032811 0.2618128), wk = 0.0023697 k( 321) = ( -0.4488328 0.5032811 0.2749034), wk = 0.0023697 k( 322) = ( -0.4488328 0.5032811 0.2879940), wk = 0.0023697 k( 323) = ( -0.4488328 0.5032811 0.3010847), wk = 0.0023697 k( 324) = ( -0.4488328 0.5032811 0.3141753), wk = 0.0023697 k( 325) = ( -0.4488328 0.5032811 0.3272660), wk = 0.0023697 k( 326) = ( -0.4488328 0.5032811 0.3403566), wk = 0.0023697 k( 327) = ( -0.4488328 0.5032811 0.3534472), wk = 0.0023697 k( 328) = ( -0.4488328 0.5032811 0.3665379), wk = 0.0023697 k( 329) = ( -0.4488328 0.5032811 0.3796285), wk = 0.0023697 k( 330) = ( -0.4488328 0.5032811 0.3927191), wk = 0.0023697 k( 331) = ( -0.4488328 0.5032811 0.4058098), wk = 0.0023697 k( 332) = ( -0.4488328 0.5032811 0.4058098), wk = 0.0023697 k( 333) = ( -0.4573606 0.4937187 0.4058098), wk = 0.0023697 k( 334) = ( -0.4658885 0.4841563 0.4058098), wk = 0.0023697 k( 335) = ( -0.4744164 0.4745939 0.4058098), wk = 0.0023697 k( 336) = ( -0.4829443 0.4650315 0.4058098), wk = 0.0023697 k( 337) = ( -0.4914721 0.4554691 0.4058098), wk = 0.0023697 k( 338) = ( -0.5000000 0.4459067 0.4058098), wk = 0.0023697 k( 339) = ( -0.5000000 0.4459067 0.4058098), wk = 0.0023697 k( 340) = ( -0.5000000 0.4459067 0.3927191), wk = 0.0023697 k( 341) = ( -0.5000000 0.4459067 0.3796285), wk = 0.0023697 k( 342) = ( -0.5000000 0.4459067 0.3665379), wk = 0.0023697 k( 343) = ( -0.5000000 0.4459067 0.3534472), wk = 0.0023697 k( 344) = ( -0.5000000 0.4459067 0.3403566), wk = 0.0023697 k( 345) = ( -0.5000000 0.4459067 0.3272660), wk = 0.0023697 k( 346) = ( -0.5000000 0.4459067 0.3141753), wk = 0.0023697 k( 347) = ( -0.5000000 0.4459067 0.3010847), wk = 0.0023697 k( 348) = ( -0.5000000 0.4459067 0.2879940), wk = 0.0023697 k( 349) = ( -0.5000000 0.4459067 0.2749034), wk = 0.0023697 k( 350) = ( -0.5000000 0.4459067 0.2618128), wk = 0.0023697 k( 351) = ( -0.5000000 0.4459067 0.2487221), wk = 0.0023697 k( 352) = ( -0.5000000 0.4459067 0.2356315), wk = 0.0023697 k( 353) = ( -0.5000000 0.4459067 0.2225408), wk = 0.0023697 k( 354) = ( -0.5000000 0.4459067 0.2094502), wk = 0.0023697 k( 355) = ( -0.5000000 0.4459067 0.1963596), wk = 0.0023697 k( 356) = ( -0.5000000 0.4459067 0.1832689), wk = 0.0023697 k( 357) = ( -0.5000000 0.4459067 0.1701783), wk = 0.0023697 k( 358) = ( -0.5000000 0.4459067 0.1570877), wk = 0.0023697 k( 359) = ( -0.5000000 0.4459067 0.1439970), wk = 0.0023697 k( 360) = ( -0.5000000 0.4459067 0.1309064), wk = 0.0023697 k( 361) = ( -0.5000000 0.4459067 0.1178157), wk = 0.0023697 k( 362) = ( -0.5000000 0.4459067 0.1047251), wk = 0.0023697 k( 363) = ( -0.5000000 0.4459067 0.0916345), wk = 0.0023697 k( 364) = ( -0.5000000 0.4459067 0.0785438), wk = 0.0023697 k( 365) = ( -0.5000000 0.4459067 0.0654532), wk = 0.0023697 k( 366) = ( -0.5000000 0.4459067 0.0523626), wk = 0.0023697 k( 367) = ( -0.5000000 0.4459067 0.0392719), wk = 0.0023697 k( 368) = ( -0.5000000 0.4459067 0.0261813), wk = 0.0023697 k( 369) = ( -0.5000000 0.4459067 0.0130906), wk = 0.0023697 k( 370) = ( -0.5000000 0.4459067 -0.0000000), wk = 0.0023697 k( 371) = ( 0.0000000 0.0000000 0.4058098), wk = 0.0023697 k( 372) = ( -0.0098039 0.0087433 0.4058098), wk = 0.0023697 k( 373) = ( -0.0196078 0.0174865 0.4058098), wk = 0.0023697 k( 374) = ( -0.0294118 0.0262298 0.4058098), wk = 0.0023697 k( 375) = ( -0.0392157 0.0349731 0.4058098), wk = 0.0023697 k( 376) = ( -0.0490196 0.0437163 0.4058098), wk = 0.0023697 k( 377) = ( -0.0588235 0.0524596 0.4058098), wk = 0.0023697 k( 378) = ( -0.0686275 0.0612029 0.4058098), wk = 0.0023697 k( 379) = ( -0.0784314 0.0699461 0.4058098), wk = 0.0023697 k( 380) = ( -0.0882353 0.0786894 0.4058098), wk = 0.0023697 k( 381) = ( -0.0980392 0.0874327 0.4058098), wk = 0.0023697 k( 382) = ( -0.1078431 0.0961760 0.4058098), wk = 0.0023697 k( 383) = ( -0.1176471 0.1049192 0.4058098), wk = 0.0023697 k( 384) = ( -0.1274510 0.1136625 0.4058098), wk = 0.0023697 k( 385) = ( -0.1372549 0.1224058 0.4058098), wk = 0.0023697 k( 386) = ( -0.1470588 0.1311490 0.4058098), wk = 0.0023697 k( 387) = ( -0.1568627 0.1398923 0.4058098), wk = 0.0023697 k( 388) = ( -0.1666667 0.1486356 0.4058098), wk = 0.0023697 k( 389) = ( -0.1764706 0.1573788 0.4058098), wk = 0.0023697 k( 390) = ( -0.1862745 0.1661221 0.4058098), wk = 0.0023697 k( 391) = ( -0.1960784 0.1748654 0.4058098), wk = 0.0023697 k( 392) = ( -0.2058823 0.1836086 0.4058098), wk = 0.0023697 k( 393) = ( -0.2156863 0.1923519 0.4058098), wk = 0.0023697 k( 394) = ( -0.2254902 0.2010952 0.4058098), wk = 0.0023697 k( 395) = ( -0.2352941 0.2098384 0.4058098), wk = 0.0023697 k( 396) = ( -0.2450980 0.2185817 0.4058098), wk = 0.0023697 k( 397) = ( -0.2549020 0.2273250 0.4058098), wk = 0.0023697 k( 398) = ( -0.2647059 0.2360682 0.4058098), wk = 0.0023697 k( 399) = ( -0.2745098 0.2448115 0.4058098), wk = 0.0023697 k( 400) = ( -0.2843137 0.2535548 0.4058098), wk = 0.0023697 k( 401) = ( -0.2941177 0.2622980 0.4058098), wk = 0.0023697 k( 402) = ( -0.3039216 0.2710413 0.4058098), wk = 0.0023697 k( 403) = ( -0.3137255 0.2797846 0.4058098), wk = 0.0023697 k( 404) = ( -0.3235294 0.2885278 0.4058098), wk = 0.0023697 k( 405) = ( -0.3333333 0.2972711 0.4058098), wk = 0.0023697 k( 406) = ( -0.3431373 0.3060144 0.4058098), wk = 0.0023697 k( 407) = ( -0.3529412 0.3147577 0.4058098), wk = 0.0023697 k( 408) = ( -0.3627451 0.3235009 0.4058098), wk = 0.0023697 k( 409) = ( -0.3725490 0.3322442 0.4058098), wk = 0.0023697 k( 410) = ( -0.3823529 0.3409875 0.4058098), wk = 0.0023697 k( 411) = ( -0.3921569 0.3497307 0.4058098), wk = 0.0023697 k( 412) = ( -0.4019608 0.3584740 0.4058098), wk = 0.0023697 k( 413) = ( -0.4117647 0.3672173 0.4058098), wk = 0.0023697 k( 414) = ( -0.4215686 0.3759605 0.4058098), wk = 0.0023697 k( 415) = ( -0.4313726 0.3847038 0.4058098), wk = 0.0023697 k( 416) = ( -0.4411765 0.3934471 0.4058098), wk = 0.0023697 k( 417) = ( -0.4509804 0.4021903 0.4058098), wk = 0.0023697 k( 418) = ( -0.4607843 0.4109336 0.4058098), wk = 0.0023697 k( 419) = ( -0.4705882 0.4196769 0.4058098), wk = 0.0023697 k( 420) = ( -0.4803922 0.4284201 0.4058098), wk = 0.0023697 k( 421) = ( -0.4901961 0.4371634 0.4058098), wk = 0.0023697 k( 422) = ( -0.5000000 0.4459067 0.4058098), wk = 0.0023697 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 2) = ( 0.0086314 0.0086314 0.0000000), wk = 0.0023697 k( 3) = ( 0.0172628 0.0172628 0.0000000), wk = 0.0023697 k( 4) = ( 0.0258942 0.0258942 0.0000000), wk = 0.0023697 k( 5) = ( 0.0345256 0.0345256 0.0000000), wk = 0.0023697 k( 6) = ( 0.0431570 0.0431570 -0.0000000), wk = 0.0023697 k( 7) = ( 0.0517884 0.0517884 0.0000000), wk = 0.0023697 k( 8) = ( 0.0604198 0.0604198 0.0000000), wk = 0.0023697 k( 9) = ( 0.0690512 0.0690512 -0.0000000), wk = 0.0023697 k( 10) = ( 0.0776826 0.0776826 -0.0000000), wk = 0.0023697 k( 11) = ( 0.0863140 0.0863140 -0.0000000), wk = 0.0023697 k( 12) = ( 0.0949454 0.0949454 -0.0000000), wk = 0.0023697 k( 13) = ( 0.1035768 0.1035768 -0.0000000), wk = 0.0023697 k( 14) = ( 0.1122082 0.1122082 0.0000000), wk = 0.0023697 k( 15) = ( 0.1208396 0.1208396 -0.0000000), wk = 0.0023697 k( 16) = ( 0.1294710 0.1294710 0.0000000), wk = 0.0023697 k( 17) = ( 0.1381024 0.1381024 0.0000000), wk = 0.0023697 k( 18) = ( 0.1467338 0.1467338 -0.0000000), wk = 0.0023697 k( 19) = ( 0.1553652 0.1553652 -0.0000000), wk = 0.0023697 k( 20) = ( 0.1639966 0.1639966 -0.0000000), wk = 0.0023697 k( 21) = ( 0.1726280 0.1726280 -0.0000000), wk = 0.0023697 k( 22) = ( 0.1812594 0.1812594 0.0000000), wk = 0.0023697 k( 23) = ( 0.1898908 0.1898908 -0.0000000), wk = 0.0023697 k( 24) = ( 0.1985222 0.1985222 -0.0000000), wk = 0.0023697 k( 25) = ( 0.2071536 0.2071536 -0.0000000), wk = 0.0023697 k( 26) = ( 0.2157850 0.2157850 -0.0000000), wk = 0.0023697 k( 27) = ( 0.2244164 0.2244164 0.0000000), wk = 0.0023697 k( 28) = ( 0.2330478 0.2330478 -0.0000000), wk = 0.0023697 k( 29) = ( 0.2416792 0.2416792 -0.0000000), wk = 0.0023697 k( 30) = ( 0.2503106 0.2503106 -0.0000000), wk = 0.0023697 k( 31) = ( 0.2589420 0.2589420 0.0000000), wk = 0.0023697 k( 32) = ( 0.2675734 0.2675734 -0.0000000), wk = 0.0023697 k( 33) = ( 0.2762048 0.2762048 -0.0000000), wk = 0.0023697 k( 34) = ( 0.2848362 0.2848362 0.0000000), wk = 0.0023697 k( 35) = ( 0.2934676 0.2934676 0.0000000), wk = 0.0023697 k( 36) = ( 0.3020990 0.3020990 -0.0000000), wk = 0.0023697 k( 37) = ( 0.3107304 0.3107304 -0.0000000), wk = 0.0023697 k( 38) = ( 0.3193618 0.3193618 0.0000000), wk = 0.0023697 k( 39) = ( 0.3279932 0.3279932 0.0000000), wk = 0.0023697 k( 40) = ( 0.3366246 0.3366246 -0.0000000), wk = 0.0023697 k( 41) = ( 0.3452560 0.3452560 -0.0000000), wk = 0.0023697 k( 42) = ( 0.3538874 0.3538874 -0.0000000), wk = 0.0023697 k( 43) = ( 0.3625188 0.3625188 0.0000000), wk = 0.0023697 k( 44) = ( 0.3711502 0.3711502 -0.0000000), wk = 0.0023697 k( 45) = ( 0.3797816 0.3797816 -0.0000000), wk = 0.0023697 k( 46) = ( 0.3884130 0.3884130 -0.0000000), wk = 0.0023697 k( 47) = ( 0.3970444 0.3970444 -0.0000000), wk = 0.0023697 k( 48) = ( 0.4056758 0.4056758 -0.0000000), wk = 0.0023697 k( 49) = ( 0.4143072 0.4143072 -0.0000000), wk = 0.0023697 k( 50) = ( 0.4229386 0.4229386 0.0000000), wk = 0.0023697 k( 51) = ( 0.4315700 0.4315700 -0.0000000), wk = 0.0023697 k( 52) = ( 0.4402014 0.4402014 -0.0000000), wk = 0.0023697 k( 53) = ( 0.4488328 0.4488328 0.0000000), wk = 0.0023697 k( 54) = ( 0.4488328 0.4488328 0.0000000), wk = 0.0023697 k( 55) = ( 0.4356318 0.4503377 -0.0000000), wk = 0.0023697 k( 56) = ( 0.4224308 0.4518426 -0.0000000), wk = 0.0023697 k( 57) = ( 0.4092299 0.4533475 -0.0000000), wk = 0.0023697 k( 58) = ( 0.3960289 0.4548524 0.0000000), wk = 0.0023697 k( 59) = ( 0.3828279 0.4563574 -0.0000000), wk = 0.0023697 k( 60) = ( 0.3696270 0.4578623 -0.0000000), wk = 0.0023697 k( 61) = ( 0.3564260 0.4593672 -0.0000000), wk = 0.0023697 k( 62) = ( 0.3432250 0.4608721 -0.0000000), wk = 0.0023697 k( 63) = ( 0.3300241 0.4623770 0.0000000), wk = 0.0023697 k( 64) = ( 0.3168231 0.4638820 0.0000000), wk = 0.0023697 k( 65) = ( 0.3036222 0.4653869 0.0000000), wk = 0.0023697 k( 66) = ( 0.2904212 0.4668918 0.0000000), wk = 0.0023697 k( 67) = ( 0.2772202 0.4683967 -0.0000000), wk = 0.0023697 k( 68) = ( 0.2640193 0.4699016 0.0000000), wk = 0.0023697 k( 69) = ( 0.2508183 0.4714065 0.0000000), wk = 0.0023697 k( 70) = ( 0.2376173 0.4729115 -0.0000000), wk = 0.0023697 k( 71) = ( 0.2244164 0.4744164 0.0000000), wk = 0.0023697 k( 72) = ( 0.2112154 0.4759213 0.0000000), wk = 0.0023697 k( 73) = ( 0.1980145 0.4774262 -0.0000000), wk = 0.0023697 k( 74) = ( 0.1848135 0.4789311 0.0000000), wk = 0.0023697 k( 75) = ( 0.1716125 0.4804361 0.0000000), wk = 0.0023697 k( 76) = ( 0.1584116 0.4819410 -0.0000000), wk = 0.0023697 k( 77) = ( 0.1452106 0.4834459 0.0000000), wk = 0.0023697 k( 78) = ( 0.1320096 0.4849508 0.0000000), wk = 0.0023697 k( 79) = ( 0.1188087 0.4864557 -0.0000000), wk = 0.0023697 k( 80) = ( 0.1056077 0.4879606 -0.0000000), wk = 0.0023697 k( 81) = ( 0.0924067 0.4894656 -0.0000000), wk = 0.0023697 k( 82) = ( 0.0792058 0.4909705 0.0000000), wk = 0.0023697 k( 83) = ( 0.0660048 0.4924754 0.0000000), wk = 0.0023697 k( 84) = ( 0.0528038 0.4939803 0.0000000), wk = 0.0023697 k( 85) = ( 0.0396029 0.4954852 -0.0000000), wk = 0.0023697 k( 86) = ( 0.0264019 0.4969902 0.0000000), wk = 0.0023697 k( 87) = ( 0.0132010 0.4984951 0.0000000), wk = 0.0023697 k( 88) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023697 k( 89) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023697 k( 90) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0023697 k( 91) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0023697 k( 92) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0023697 k( 93) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0023697 k( 94) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0023697 k( 95) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0023697 k( 96) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0023697 k( 97) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0023697 k( 98) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0023697 k( 99) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0023697 k( 100) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0023697 k( 101) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0023697 k( 102) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0023697 k( 103) = ( 0.0000000 0.5000000 0.2258065), wk = 0.0023697 k( 104) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0023697 k( 105) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0023697 k( 106) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0023697 k( 107) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0023697 k( 108) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0023697 k( 109) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0023697 k( 110) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0023697 k( 111) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0023697 k( 112) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0023697 k( 113) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0023697 k( 114) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0023697 k( 115) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0023697 k( 116) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0023697 k( 117) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0023697 k( 118) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0023697 k( 119) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0023697 k( 120) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 121) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 122) = ( 0.0132010 0.4984951 0.5000000), wk = 0.0023697 k( 123) = ( 0.0264019 0.4969902 0.5000000), wk = 0.0023697 k( 124) = ( 0.0396029 0.4954852 0.5000000), wk = 0.0023697 k( 125) = ( 0.0528038 0.4939803 0.5000000), wk = 0.0023697 k( 126) = ( 0.0660048 0.4924754 0.5000000), wk = 0.0023697 k( 127) = ( 0.0792058 0.4909705 0.5000000), wk = 0.0023697 k( 128) = ( 0.0924067 0.4894656 0.5000000), wk = 0.0023697 k( 129) = ( 0.1056077 0.4879606 0.5000000), wk = 0.0023697 k( 130) = ( 0.1188087 0.4864557 0.5000000), wk = 0.0023697 k( 131) = ( 0.1320096 0.4849508 0.5000000), wk = 0.0023697 k( 132) = ( 0.1452106 0.4834459 0.5000000), wk = 0.0023697 k( 133) = ( 0.1584116 0.4819410 0.5000000), wk = 0.0023697 k( 134) = ( 0.1716125 0.4804361 0.5000000), wk = 0.0023697 k( 135) = ( 0.1848135 0.4789311 0.5000000), wk = 0.0023697 k( 136) = ( 0.1980145 0.4774262 0.5000000), wk = 0.0023697 k( 137) = ( 0.2112154 0.4759213 0.5000000), wk = 0.0023697 k( 138) = ( 0.2244164 0.4744164 0.5000000), wk = 0.0023697 k( 139) = ( 0.2376173 0.4729115 0.5000000), wk = 0.0023697 k( 140) = ( 0.2508183 0.4714065 0.5000000), wk = 0.0023697 k( 141) = ( 0.2640193 0.4699016 0.5000000), wk = 0.0023697 k( 142) = ( 0.2772202 0.4683967 0.5000000), wk = 0.0023697 k( 143) = ( 0.2904212 0.4668918 0.5000000), wk = 0.0023697 k( 144) = ( 0.3036222 0.4653869 0.5000000), wk = 0.0023697 k( 145) = ( 0.3168231 0.4638820 0.5000000), wk = 0.0023697 k( 146) = ( 0.3300241 0.4623770 0.5000000), wk = 0.0023697 k( 147) = ( 0.3432250 0.4608721 0.5000000), wk = 0.0023697 k( 148) = ( 0.3564260 0.4593672 0.5000000), wk = 0.0023697 k( 149) = ( 0.3696270 0.4578623 0.5000000), wk = 0.0023697 k( 150) = ( 0.3828279 0.4563574 0.5000000), wk = 0.0023697 k( 151) = ( 0.3960289 0.4548524 0.5000000), wk = 0.0023697 k( 152) = ( 0.4092299 0.4533475 0.5000000), wk = 0.0023697 k( 153) = ( 0.4224308 0.4518426 0.5000000), wk = 0.0023697 k( 154) = ( 0.4356318 0.4503377 0.5000000), wk = 0.0023697 k( 155) = ( 0.4488328 0.4488328 0.5000000), wk = 0.0023697 k( 156) = ( 0.4488328 0.4488328 0.5000000), wk = 0.0023697 k( 157) = ( 0.4402014 0.4402014 0.5000000), wk = 0.0023697 k( 158) = ( 0.4315700 0.4315700 0.5000000), wk = 0.0023697 k( 159) = ( 0.4229386 0.4229386 0.5000000), wk = 0.0023697 k( 160) = ( 0.4143072 0.4143072 0.5000000), wk = 0.0023697 k( 161) = ( 0.4056758 0.4056758 0.5000000), wk = 0.0023697 k( 162) = ( 0.3970444 0.3970444 0.5000000), wk = 0.0023697 k( 163) = ( 0.3884130 0.3884130 0.5000000), wk = 0.0023697 k( 164) = ( 0.3797816 0.3797816 0.5000000), wk = 0.0023697 k( 165) = ( 0.3711502 0.3711502 0.5000000), wk = 0.0023697 k( 166) = ( 0.3625188 0.3625188 0.5000000), wk = 0.0023697 k( 167) = ( 0.3538874 0.3538874 0.5000000), wk = 0.0023697 k( 168) = ( 0.3452560 0.3452560 0.5000000), wk = 0.0023697 k( 169) = ( 0.3366246 0.3366246 0.5000000), wk = 0.0023697 k( 170) = ( 0.3279932 0.3279932 0.5000000), wk = 0.0023697 k( 171) = ( 0.3193618 0.3193618 0.5000000), wk = 0.0023697 k( 172) = ( 0.3107304 0.3107304 0.5000000), wk = 0.0023697 k( 173) = ( 0.3020990 0.3020990 0.5000000), wk = 0.0023697 k( 174) = ( 0.2934676 0.2934676 0.5000000), wk = 0.0023697 k( 175) = ( 0.2848362 0.2848362 0.5000000), wk = 0.0023697 k( 176) = ( 0.2762048 0.2762048 0.5000000), wk = 0.0023697 k( 177) = ( 0.2675734 0.2675734 0.5000000), wk = 0.0023697 k( 178) = ( 0.2589420 0.2589420 0.5000000), wk = 0.0023697 k( 179) = ( 0.2503106 0.2503106 0.5000000), wk = 0.0023697 k( 180) = ( 0.2416792 0.2416792 0.5000000), wk = 0.0023697 k( 181) = ( 0.2330478 0.2330478 0.5000000), wk = 0.0023697 k( 182) = ( 0.2244164 0.2244164 0.5000000), wk = 0.0023697 k( 183) = ( 0.2157850 0.2157850 0.5000000), wk = 0.0023697 k( 184) = ( 0.2071536 0.2071536 0.5000000), wk = 0.0023697 k( 185) = ( 0.1985222 0.1985222 0.5000000), wk = 0.0023697 k( 186) = ( 0.1898908 0.1898908 0.5000000), wk = 0.0023697 k( 187) = ( 0.1812594 0.1812594 0.5000000), wk = 0.0023697 k( 188) = ( 0.1726280 0.1726280 0.5000000), wk = 0.0023697 k( 189) = ( 0.1639966 0.1639966 0.5000000), wk = 0.0023697 k( 190) = ( 0.1553652 0.1553652 0.5000000), wk = 0.0023697 k( 191) = ( 0.1467338 0.1467338 0.5000000), wk = 0.0023697 k( 192) = ( 0.1381024 0.1381024 0.5000000), wk = 0.0023697 k( 193) = ( 0.1294710 0.1294710 0.5000000), wk = 0.0023697 k( 194) = ( 0.1208396 0.1208396 0.5000000), wk = 0.0023697 k( 195) = ( 0.1122082 0.1122082 0.5000000), wk = 0.0023697 k( 196) = ( 0.1035768 0.1035768 0.5000000), wk = 0.0023697 k( 197) = ( 0.0949454 0.0949454 0.5000000), wk = 0.0023697 k( 198) = ( 0.0863140 0.0863140 0.5000000), wk = 0.0023697 k( 199) = ( 0.0776826 0.0776826 0.5000000), wk = 0.0023697 k( 200) = ( 0.0690512 0.0690512 0.5000000), wk = 0.0023697 k( 201) = ( 0.0604198 0.0604198 0.5000000), wk = 0.0023697 k( 202) = ( 0.0517884 0.0517884 0.5000000), wk = 0.0023697 k( 203) = ( 0.0431570 0.0431570 0.5000000), wk = 0.0023697 k( 204) = ( 0.0345256 0.0345256 0.5000000), wk = 0.0023697 k( 205) = ( 0.0258942 0.0258942 0.5000000), wk = 0.0023697 k( 206) = ( 0.0172628 0.0172628 0.5000000), wk = 0.0023697 k( 207) = ( 0.0086314 0.0086314 0.5000000), wk = 0.0023697 k( 208) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 209) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 210) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0023697 k( 211) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0023697 k( 212) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0023697 k( 213) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0023697 k( 214) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0023697 k( 215) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0023697 k( 216) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0023697 k( 217) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0023697 k( 218) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0023697 k( 219) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0023697 k( 220) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0023697 k( 221) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0023697 k( 222) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0023697 k( 223) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0023697 k( 224) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0023697 k( 225) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0023697 k( 226) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0023697 k( 227) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0023697 k( 228) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0023697 k( 229) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0023697 k( 230) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0023697 k( 231) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0023697 k( 232) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0023697 k( 233) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0023697 k( 234) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0023697 k( 235) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0023697 k( 236) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0023697 k( 237) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0023697 k( 238) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0023697 k( 239) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0023697 k( 240) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 241) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 242) = ( -0.0098039 0.0098039 0.0000000), wk = 0.0023697 k( 243) = ( -0.0196078 0.0196078 0.0000000), wk = 0.0023697 k( 244) = ( -0.0294118 0.0294118 0.0000000), wk = 0.0023697 k( 245) = ( -0.0392157 0.0392157 0.0000000), wk = 0.0023697 k( 246) = ( -0.0490196 0.0490196 0.0000000), wk = 0.0023697 k( 247) = ( -0.0588235 0.0588235 0.0000000), wk = 0.0023697 k( 248) = ( -0.0686275 0.0686275 0.0000000), wk = 0.0023697 k( 249) = ( -0.0784314 0.0784314 -0.0000000), wk = 0.0023697 k( 250) = ( -0.0882353 0.0882353 0.0000000), wk = 0.0023697 k( 251) = ( -0.0980392 0.0980392 0.0000000), wk = 0.0023697 k( 252) = ( -0.1078431 0.1078431 0.0000000), wk = 0.0023697 k( 253) = ( -0.1176471 0.1176471 0.0000000), wk = 0.0023697 k( 254) = ( -0.1274510 0.1274510 0.0000000), wk = 0.0023697 k( 255) = ( -0.1372549 0.1372549 0.0000000), wk = 0.0023697 k( 256) = ( -0.1470588 0.1470588 -0.0000000), wk = 0.0023697 k( 257) = ( -0.1568627 0.1568627 -0.0000000), wk = 0.0023697 k( 258) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0023697 k( 259) = ( -0.1764706 0.1764706 0.0000000), wk = 0.0023697 k( 260) = ( -0.1862745 0.1862745 0.0000000), wk = 0.0023697 k( 261) = ( -0.1960784 0.1960784 0.0000000), wk = 0.0023697 k( 262) = ( -0.2058823 0.2058824 0.0000000), wk = 0.0023697 k( 263) = ( -0.2156863 0.2156863 0.0000000), wk = 0.0023697 k( 264) = ( -0.2254902 0.2254902 0.0000000), wk = 0.0023697 k( 265) = ( -0.2352941 0.2352941 0.0000000), wk = 0.0023697 k( 266) = ( -0.2450980 0.2450980 -0.0000000), wk = 0.0023697 k( 267) = ( -0.2549020 0.2549020 0.0000000), wk = 0.0023697 k( 268) = ( -0.2647059 0.2647059 0.0000000), wk = 0.0023697 k( 269) = ( -0.2745098 0.2745098 0.0000000), wk = 0.0023697 k( 270) = ( -0.2843137 0.2843137 0.0000000), wk = 0.0023697 k( 271) = ( -0.2941177 0.2941177 0.0000000), wk = 0.0023697 k( 272) = ( -0.3039216 0.3039216 0.0000000), wk = 0.0023697 k( 273) = ( -0.3137255 0.3137255 0.0000000), wk = 0.0023697 k( 274) = ( -0.3235294 0.3235294 0.0000000), wk = 0.0023697 k( 275) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0023697 k( 276) = ( -0.3431373 0.3431373 -0.0000000), wk = 0.0023697 k( 277) = ( -0.3529412 0.3529412 0.0000000), wk = 0.0023697 k( 278) = ( -0.3627451 0.3627451 0.0000000), wk = 0.0023697 k( 279) = ( -0.3725490 0.3725490 0.0000000), wk = 0.0023697 k( 280) = ( -0.3823529 0.3823529 0.0000000), wk = 0.0023697 k( 281) = ( -0.3921569 0.3921569 0.0000000), wk = 0.0023697 k( 282) = ( -0.4019608 0.4019608 0.0000000), wk = 0.0023697 k( 283) = ( -0.4117647 0.4117647 0.0000000), wk = 0.0023697 k( 284) = ( -0.4215686 0.4215686 0.0000000), wk = 0.0023697 k( 285) = ( -0.4313726 0.4313726 0.0000000), wk = 0.0023697 k( 286) = ( -0.4411765 0.4411765 0.0000000), wk = 0.0023697 k( 287) = ( -0.4509804 0.4509804 0.0000000), wk = 0.0023697 k( 288) = ( -0.4607843 0.4607843 -0.0000000), wk = 0.0023697 k( 289) = ( -0.4705882 0.4705882 0.0000000), wk = 0.0023697 k( 290) = ( -0.4803922 0.4803922 -0.0000000), wk = 0.0023697 k( 291) = ( -0.4901961 0.4901961 -0.0000000), wk = 0.0023697 k( 292) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 293) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 294) = ( -0.4914721 0.5085279 -0.0000000), wk = 0.0023697 k( 295) = ( -0.4829443 0.5170558 0.0000000), wk = 0.0023697 k( 296) = ( -0.4744164 0.5255836 0.0000000), wk = 0.0023697 k( 297) = ( -0.4658885 0.5341115 -0.0000000), wk = 0.0023697 k( 298) = ( -0.4573606 0.5426394 -0.0000000), wk = 0.0023697 k( 299) = ( -0.4488328 0.5511672 -0.0000000), wk = 0.0023697 k( 300) = ( -0.4488328 0.5511672 -0.0000000), wk = 0.0023697 k( 301) = ( -0.4488328 0.5511672 0.0161290), wk = 0.0023697 k( 302) = ( -0.4488328 0.5511672 0.0322581), wk = 0.0023697 k( 303) = ( -0.4488328 0.5511672 0.0483871), wk = 0.0023697 k( 304) = ( -0.4488328 0.5511672 0.0645161), wk = 0.0023697 k( 305) = ( -0.4488328 0.5511672 0.0806452), wk = 0.0023697 k( 306) = ( -0.4488328 0.5511672 0.0967742), wk = 0.0023697 k( 307) = ( -0.4488328 0.5511672 0.1129032), wk = 0.0023697 k( 308) = ( -0.4488328 0.5511672 0.1290323), wk = 0.0023697 k( 309) = ( -0.4488328 0.5511672 0.1451613), wk = 0.0023697 k( 310) = ( -0.4488328 0.5511672 0.1612903), wk = 0.0023697 k( 311) = ( -0.4488328 0.5511672 0.1774194), wk = 0.0023697 k( 312) = ( -0.4488328 0.5511672 0.1935484), wk = 0.0023697 k( 313) = ( -0.4488328 0.5511672 0.2096774), wk = 0.0023697 k( 314) = ( -0.4488328 0.5511672 0.2258064), wk = 0.0023697 k( 315) = ( -0.4488328 0.5511672 0.2419355), wk = 0.0023697 k( 316) = ( -0.4488328 0.5511672 0.2580645), wk = 0.0023697 k( 317) = ( -0.4488328 0.5511672 0.2741936), wk = 0.0023697 k( 318) = ( -0.4488328 0.5511672 0.2903226), wk = 0.0023697 k( 319) = ( -0.4488328 0.5511672 0.3064516), wk = 0.0023697 k( 320) = ( -0.4488328 0.5511672 0.3225807), wk = 0.0023697 k( 321) = ( -0.4488328 0.5511672 0.3387097), wk = 0.0023697 k( 322) = ( -0.4488328 0.5511672 0.3548387), wk = 0.0023697 k( 323) = ( -0.4488328 0.5511672 0.3709677), wk = 0.0023697 k( 324) = ( -0.4488328 0.5511672 0.3870968), wk = 0.0023697 k( 325) = ( -0.4488328 0.5511672 0.4032258), wk = 0.0023697 k( 326) = ( -0.4488328 0.5511672 0.4193548), wk = 0.0023697 k( 327) = ( -0.4488328 0.5511672 0.4354839), wk = 0.0023697 k( 328) = ( -0.4488328 0.5511672 0.4516129), wk = 0.0023697 k( 329) = ( -0.4488328 0.5511672 0.4677419), wk = 0.0023697 k( 330) = ( -0.4488328 0.5511672 0.4838710), wk = 0.0023697 k( 331) = ( -0.4488328 0.5511672 0.5000000), wk = 0.0023697 k( 332) = ( -0.4488328 0.5511672 0.5000000), wk = 0.0023697 k( 333) = ( -0.4573606 0.5426394 0.5000000), wk = 0.0023697 k( 334) = ( -0.4658885 0.5341115 0.5000000), wk = 0.0023697 k( 335) = ( -0.4744164 0.5255836 0.5000000), wk = 0.0023697 k( 336) = ( -0.4829443 0.5170558 0.5000000), wk = 0.0023697 k( 337) = ( -0.4914721 0.5085279 0.5000000), wk = 0.0023697 k( 338) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 k( 339) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 k( 340) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0023697 k( 341) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0023697 k( 342) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0023697 k( 343) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0023697 k( 344) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0023697 k( 345) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0023697 k( 346) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0023697 k( 347) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0023697 k( 348) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0023697 k( 349) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0023697 k( 350) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0023697 k( 351) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0023697 k( 352) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0023697 k( 353) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0023697 k( 354) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0023697 k( 355) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0023697 k( 356) = ( -0.5000000 0.5000000 0.2258065), wk = 0.0023697 k( 357) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0023697 k( 358) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0023697 k( 359) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0023697 k( 360) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0023697 k( 361) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0023697 k( 362) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0023697 k( 363) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0023697 k( 364) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0023697 k( 365) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0023697 k( 366) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0023697 k( 367) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0023697 k( 368) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0023697 k( 369) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0023697 k( 370) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 371) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 372) = ( -0.0098039 0.0098039 0.5000000), wk = 0.0023697 k( 373) = ( -0.0196078 0.0196078 0.5000000), wk = 0.0023697 k( 374) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0023697 k( 375) = ( -0.0392157 0.0392157 0.5000000), wk = 0.0023697 k( 376) = ( -0.0490196 0.0490196 0.5000000), wk = 0.0023697 k( 377) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0023697 k( 378) = ( -0.0686275 0.0686275 0.5000000), wk = 0.0023697 k( 379) = ( -0.0784314 0.0784314 0.5000000), wk = 0.0023697 k( 380) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0023697 k( 381) = ( -0.0980392 0.0980392 0.5000000), wk = 0.0023697 k( 382) = ( -0.1078431 0.1078431 0.5000000), wk = 0.0023697 k( 383) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0023697 k( 384) = ( -0.1274510 0.1274510 0.5000000), wk = 0.0023697 k( 385) = ( -0.1372549 0.1372549 0.5000000), wk = 0.0023697 k( 386) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0023697 k( 387) = ( -0.1568627 0.1568627 0.5000000), wk = 0.0023697 k( 388) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0023697 k( 389) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0023697 k( 390) = ( -0.1862745 0.1862745 0.5000000), wk = 0.0023697 k( 391) = ( -0.1960784 0.1960784 0.5000000), wk = 0.0023697 k( 392) = ( -0.2058823 0.2058824 0.5000000), wk = 0.0023697 k( 393) = ( -0.2156863 0.2156863 0.5000000), wk = 0.0023697 k( 394) = ( -0.2254902 0.2254902 0.5000000), wk = 0.0023697 k( 395) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0023697 k( 396) = ( -0.2450980 0.2450980 0.5000000), wk = 0.0023697 k( 397) = ( -0.2549020 0.2549020 0.5000000), wk = 0.0023697 k( 398) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0023697 k( 399) = ( -0.2745098 0.2745098 0.5000000), wk = 0.0023697 k( 400) = ( -0.2843137 0.2843137 0.5000000), wk = 0.0023697 k( 401) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0023697 k( 402) = ( -0.3039216 0.3039216 0.5000000), wk = 0.0023697 k( 403) = ( -0.3137255 0.3137255 0.5000000), wk = 0.0023697 k( 404) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0023697 k( 405) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0023697 k( 406) = ( -0.3431373 0.3431373 0.5000000), wk = 0.0023697 k( 407) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0023697 k( 408) = ( -0.3627451 0.3627451 0.5000000), wk = 0.0023697 k( 409) = ( -0.3725490 0.3725490 0.5000000), wk = 0.0023697 k( 410) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0023697 k( 411) = ( -0.3921569 0.3921569 0.5000000), wk = 0.0023697 k( 412) = ( -0.4019608 0.4019608 0.5000000), wk = 0.0023697 k( 413) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0023697 k( 414) = ( -0.4215686 0.4215686 0.5000000), wk = 0.0023697 k( 415) = ( -0.4313726 0.4313726 0.5000000), wk = 0.0023697 k( 416) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0023697 k( 417) = ( -0.4509804 0.4509804 0.5000000), wk = 0.0023697 k( 418) = ( -0.4607843 0.4607843 0.5000000), wk = 0.0023697 k( 419) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0023697 k( 420) = ( -0.4803922 0.4803922 0.5000000), wk = 0.0023697 k( 421) = ( -0.4901961 0.4901961 0.5000000), wk = 0.0023697 k( 422) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 Dense grid: 45723 G-vectors FFT dimensions: ( 45, 45, 54) Smooth grid: 24087 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 190, 44) NL pseudopotentials 0.20 Mb ( 95, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1271) G-vector shells 0.00 Mb ( 654) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 190, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./ZnTe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 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 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.3 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 6.8 secs Computing kpt #: 13 total cpu time spent up to now is 7.1 secs Computing kpt #: 14 total cpu time spent up to now is 7.4 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.0 secs Computing kpt #: 17 total cpu time spent up to now is 8.2 secs Computing kpt #: 18 total cpu time spent up to now is 8.5 secs Computing kpt #: 19 total cpu time spent up to now is 8.8 secs Computing kpt #: 20 total cpu time spent up to now is 9.1 secs Computing kpt #: 21 total cpu time spent up to now is 9.4 secs Computing kpt #: 22 total cpu time spent up to now is 9.7 secs Computing kpt #: 23 total cpu time spent up to now is 10.0 secs Computing kpt #: 24 total cpu time spent up to now is 10.2 secs Computing kpt #: 25 total cpu time spent up to now is 10.5 secs Computing kpt #: 26 total cpu time spent up to now is 10.8 secs Computing kpt #: 27 total cpu time spent up to now is 11.1 secs Computing kpt #: 28 total cpu time spent up to now is 11.5 secs Computing kpt #: 29 total cpu time spent up to now is 12.3 secs Computing kpt #: 30 total cpu time spent up to now is 12.7 secs Computing kpt #: 31 total cpu time spent up to now is 13.0 secs Computing kpt #: 32 total cpu time spent up to now is 13.4 secs Computing kpt #: 33 total cpu time spent up to now is 13.7 secs Computing kpt #: 34 total cpu time spent up to now is 14.0 secs Computing kpt #: 35 total cpu time spent up to now is 14.4 secs Computing kpt #: 36 total cpu time spent up to now is 14.7 secs Computing kpt #: 37 total cpu time spent up to now is 15.1 secs Computing kpt #: 38 total cpu time spent up to now is 15.4 secs Computing kpt #: 39 total cpu time spent up to now is 15.8 secs Computing kpt #: 40 total cpu time spent up to now is 16.1 secs Computing kpt #: 41 total cpu time spent up to now is 16.4 secs Computing kpt #: 42 total cpu time spent up to now is 16.7 secs Computing kpt #: 43 total cpu time spent up to now is 17.0 secs Computing kpt #: 44 total cpu time spent up to now is 17.2 secs Computing kpt #: 45 total cpu time spent up to now is 17.5 secs Computing kpt #: 46 total cpu time spent up to now is 17.7 secs Computing kpt #: 47 total cpu time spent up to now is 18.0 secs Computing kpt #: 48 total cpu time spent up to now is 18.3 secs Computing kpt #: 49 total cpu time spent up to now is 18.5 secs Computing kpt #: 50 total cpu time spent up to now is 18.8 secs Computing kpt #: 51 total cpu time spent up to now is 19.0 secs Computing kpt #: 52 total cpu time spent up to now is 19.3 secs Computing kpt #: 53 total cpu time spent up to now is 19.5 secs Computing kpt #: 54 total cpu time spent up to now is 19.8 secs Computing kpt #: 55 total cpu time spent up to now is 20.0 secs Computing kpt #: 56 total cpu time spent up to now is 20.3 secs Computing kpt #: 57 total cpu time spent up to now is 20.5 secs Computing kpt #: 58 total cpu time spent up to now is 20.8 secs Computing kpt #: 59 total cpu time spent up to now is 21.0 secs Computing kpt #: 60 total cpu time spent up to now is 21.3 secs Computing kpt #: 61 total cpu time spent up to now is 21.5 secs Computing kpt #: 62 total cpu time spent up to now is 21.8 secs Computing kpt #: 63 total cpu time spent up to now is 22.1 secs Computing kpt #: 64 total cpu time spent up to now is 22.4 secs Computing kpt #: 65 total cpu time spent up to now is 22.7 secs Computing kpt #: 66 total cpu time spent up to now is 23.0 secs Computing kpt #: 67 total cpu time spent up to now is 23.3 secs Computing kpt #: 68 total cpu time spent up to now is 23.5 secs Computing kpt #: 69 total cpu time spent up to now is 23.8 secs Computing kpt #: 70 total cpu time spent up to now is 24.1 secs Computing kpt #: 71 total cpu time spent up to now is 24.4 secs Computing kpt #: 72 total cpu time spent up to now is 24.7 secs Computing kpt #: 73 total cpu time spent up to now is 24.9 secs Computing kpt #: 74 total cpu time spent up to now is 25.2 secs Computing kpt #: 75 total cpu time spent up to now is 25.5 secs Computing kpt #: 76 total cpu time spent up to now is 25.8 secs Computing kpt #: 77 total cpu time spent up to now is 26.1 secs Computing kpt #: 78 total cpu time spent up to now is 26.3 secs Computing kpt #: 79 total cpu time spent up to now is 26.6 secs Computing kpt #: 80 total cpu time spent up to now is 26.9 secs Computing kpt #: 81 total cpu time spent up to now is 27.3 secs Computing kpt #: 82 total cpu time spent up to now is 27.6 secs Computing kpt #: 83 total cpu time spent up to now is 27.9 secs Computing kpt #: 84 total cpu time spent up to now is 28.2 secs Computing kpt #: 85 total cpu time spent up to now is 28.5 secs Computing kpt #: 86 total cpu time spent up to now is 28.8 secs Computing kpt #: 87 total cpu time spent up to now is 29.1 secs Computing kpt #: 88 total cpu time spent up to now is 29.4 secs Computing kpt #: 89 total cpu time spent up to now is 29.7 secs Computing kpt #: 90 total cpu time spent up to now is 30.1 secs Computing kpt #: 91 total cpu time spent up to now is 30.4 secs Computing kpt #: 92 total cpu time spent up to now is 30.7 secs Computing kpt #: 93 total cpu time spent up to now is 31.0 secs Computing kpt #: 94 total cpu time spent up to now is 31.3 secs Computing kpt #: 95 total cpu time spent up to now is 31.6 secs Computing kpt #: 96 total cpu time spent up to now is 31.9 secs Computing kpt #: 97 total cpu time spent up to now is 32.2 secs Computing kpt #: 98 total cpu time spent up to now is 32.5 secs Computing kpt #: 99 total cpu time spent up to now is 32.8 secs Computing kpt #: 100 total cpu time spent up to now is 33.1 secs Computing kpt #: 101 total cpu time spent up to now is 33.4 secs Computing kpt #: 102 total cpu time spent up to now is 33.7 secs Computing kpt #: 103 total cpu time spent up to now is 34.0 secs Computing kpt #: 104 total cpu time spent up to now is 34.3 secs Computing kpt #: 105 total cpu time spent up to now is 34.6 secs Computing kpt #: 106 total cpu time spent up to now is 34.9 secs Computing kpt #: 107 total cpu time spent up to now is 35.2 secs Computing kpt #: 108 total cpu time spent up to now is 35.5 secs Computing kpt #: 109 total cpu time spent up to now is 35.8 secs Computing kpt #: 110 total cpu time spent up to now is 36.1 secs Computing kpt #: 111 total cpu time spent up to now is 36.5 secs Computing kpt #: 112 total cpu time spent up to now is 36.8 secs Computing kpt #: 113 total cpu time spent up to now is 37.1 secs Computing kpt #: 114 total cpu time spent up to now is 37.4 secs Computing kpt #: 115 total cpu time spent up to now is 37.7 secs Computing kpt #: 116 total cpu time spent up to now is 38.0 secs Computing kpt #: 117 total cpu time spent up to now is 38.3 secs Computing kpt #: 118 total cpu time spent up to now is 38.6 secs Computing kpt #: 119 total cpu time spent up to now is 38.9 secs Computing kpt #: 120 total cpu time spent up to now is 39.2 secs Computing kpt #: 121 total cpu time spent up to now is 39.5 secs Computing kpt #: 122 total cpu time spent up to now is 39.8 secs Computing kpt #: 123 total cpu time spent up to now is 40.1 secs Computing kpt #: 124 total cpu time spent up to now is 40.4 secs Computing kpt #: 125 total cpu time spent up to now is 40.7 secs Computing kpt #: 126 total cpu time spent up to now is 41.0 secs Computing kpt #: 127 total cpu time spent up to now is 41.3 secs Computing kpt #: 128 total cpu time spent up to now is 41.6 secs Computing kpt #: 129 total cpu time spent up to now is 41.9 secs Computing kpt #: 130 total cpu time spent up to now is 42.2 secs Computing kpt #: 131 total cpu time spent up to now is 42.6 secs Computing kpt #: 132 total cpu time spent up to now is 42.9 secs Computing kpt #: 133 total cpu time spent up to now is 43.2 secs Computing kpt #: 134 total cpu time spent up to now is 43.5 secs Computing kpt #: 135 total cpu time spent up to now is 43.8 secs Computing kpt #: 136 total cpu time spent up to now is 44.1 secs Computing kpt #: 137 total cpu time spent up to now is 44.4 secs Computing kpt #: 138 total cpu time spent up to now is 44.7 secs Computing kpt 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secs Computing kpt #: 170 total cpu time spent up to now is 54.2 secs Computing kpt #: 171 total cpu time spent up to now is 54.5 secs Computing kpt #: 172 total cpu time spent up to now is 54.8 secs Computing kpt #: 173 total cpu time spent up to now is 55.1 secs Computing kpt #: 174 total cpu time spent up to now is 55.5 secs Computing kpt #: 175 total cpu time spent up to now is 55.8 secs Computing kpt #: 176 total cpu time spent up to now is 56.1 secs Computing kpt #: 177 total cpu time spent up to now is 56.5 secs Computing kpt #: 178 total cpu time spent up to now is 56.8 secs Computing kpt #: 179 total cpu time spent up to now is 57.2 secs Computing kpt #: 180 total cpu time spent up to now is 57.5 secs Computing kpt #: 181 total cpu time spent up to now is 57.8 secs Computing kpt #: 182 total cpu time spent up to now is 58.1 secs Computing kpt #: 183 total cpu time spent up to now is 58.5 secs Computing kpt #: 184 total cpu time spent up to now is 58.8 secs Computing kpt #: 185 total cpu time spent up to now is 59.1 secs Computing kpt #: 186 total cpu time spent up to now is 59.5 secs Computing kpt #: 187 total cpu time spent up to now is 59.8 secs Computing kpt #: 188 total cpu time spent up to now is 60.1 secs Computing kpt #: 189 total cpu time spent up to now is 60.5 secs Computing kpt #: 190 total cpu time spent up to now is 60.8 secs Computing kpt #: 191 total cpu time spent up to now is 61.1 secs Computing kpt #: 192 total cpu time spent up to now is 61.4 secs Computing kpt #: 193 total cpu time spent up to now is 61.7 secs Computing kpt #: 194 total cpu time spent up to now is 62.0 secs Computing kpt #: 195 total cpu time spent up to now is 62.3 secs Computing kpt #: 196 total cpu time spent up to now is 62.6 secs Computing kpt #: 197 total cpu time spent up to now is 63.0 secs Computing kpt #: 198 total cpu time spent up to now is 63.3 secs Computing kpt #: 199 total cpu time spent up to now is 63.6 secs Computing kpt #: 200 total cpu time spent up to now is 63.9 secs Computing kpt #: 201 total cpu time spent up to now is 64.2 secs Computing kpt #: 202 total cpu time spent up to now is 64.5 secs Computing kpt #: 203 total cpu time spent up to now is 64.8 secs Computing kpt #: 204 total cpu time spent up to now is 65.0 secs Computing kpt #: 205 total cpu time spent up to now is 65.3 secs Computing kpt #: 206 total cpu time spent up to now is 65.6 secs Computing kpt #: 207 total cpu time spent up to now is 65.9 secs Computing kpt #: 208 total cpu time spent up to now is 66.2 secs Computing kpt #: 209 total cpu time spent up to now is 66.5 secs Computing kpt #: 210 total cpu time spent up to now is 66.7 secs Computing kpt #: 211 total cpu time spent up to now is 67.0 secs Computing kpt #: 212 total cpu time spent up to now is 67.3 secs Computing kpt #: 213 total cpu time spent up to now is 67.6 secs Computing kpt #: 214 total cpu time spent up to now is 67.9 secs Computing kpt #: 215 total cpu time spent up to now is 68.2 secs Computing kpt #: 216 total cpu time spent up to now is 68.5 secs Computing kpt #: 217 total cpu time spent up to now is 68.8 secs Computing kpt #: 218 total cpu time spent up to now is 69.1 secs Computing kpt #: 219 total cpu time spent up to now is 69.3 secs Computing kpt #: 220 total cpu time spent up to now is 69.7 secs Computing kpt #: 221 total cpu time spent up to now is 70.0 secs Computing kpt #: 222 total cpu time spent up to now is 70.3 secs Computing kpt #: 223 total cpu time spent up to now is 70.6 secs Computing kpt #: 224 total cpu time spent up to now is 70.9 secs Computing kpt #: 225 total cpu time spent up to now is 71.3 secs Computing kpt #: 226 total cpu time spent up to now is 71.6 secs Computing kpt #: 227 total cpu time spent up to now is 71.9 secs Computing kpt #: 228 total cpu time spent up to now is 72.3 secs Computing kpt #: 229 total cpu time spent up to now is 72.7 secs Computing kpt #: 230 total cpu time spent up to now is 73.0 secs Computing kpt #: 231 total cpu time spent up to now is 73.4 secs Computing kpt #: 232 total cpu time spent up to now is 73.8 secs Computing kpt #: 233 total cpu time spent up to now is 74.1 secs Computing kpt #: 234 total cpu time spent up to now is 74.5 secs Computing kpt #: 235 total cpu time spent up to now is 74.8 secs Computing kpt #: 236 total cpu time spent up to now is 75.2 secs Computing kpt #: 237 total cpu time spent up to now is 75.6 secs Computing kpt #: 238 total cpu time spent up to now is 75.9 secs Computing kpt #: 239 total cpu time spent up to now is 76.3 secs Computing kpt #: 240 total cpu time spent up to now is 76.6 secs Computing kpt #: 241 total cpu time spent up to now is 77.3 secs Computing kpt #: 242 total cpu time spent up to now is 77.7 secs Computing kpt #: 243 total cpu time spent up to now is 78.0 secs Computing kpt #: 244 total cpu time spent up to now is 78.3 secs Computing kpt #: 245 total cpu time spent up to now is 78.6 secs Computing kpt #: 246 total cpu time spent up to now is 78.9 secs Computing kpt #: 247 total cpu time spent up to now is 79.2 secs Computing kpt #: 248 total cpu time spent up to now is 79.4 secs Computing kpt #: 249 total cpu time spent up to now is 79.7 secs Computing kpt #: 250 total cpu time spent up to now is 80.0 secs Computing kpt #: 251 total cpu time spent up to now is 80.3 secs Computing kpt #: 252 total cpu time spent up to now is 80.6 secs Computing kpt #: 253 total cpu time spent up to now is 80.9 secs Computing kpt #: 254 total cpu time spent up to now is 81.1 secs Computing kpt #: 255 total cpu time spent up to now is 81.4 secs Computing kpt #: 256 total cpu time spent up to now is 81.7 secs Computing kpt #: 257 total cpu time spent up to now is 82.0 secs Computing kpt #: 258 total cpu time spent up to now is 82.3 secs Computing kpt #: 259 total cpu time spent up to now is 82.6 secs Computing kpt #: 260 total cpu time spent up to now is 82.9 secs Computing kpt #: 261 total cpu time spent up to now is 83.2 secs Computing kpt #: 262 total cpu time spent up to now is 83.5 secs Computing kpt #: 263 total cpu time spent up to now is 84.3 secs Computing kpt #: 264 total cpu time spent up to now is 84.7 secs Computing kpt #: 265 total cpu time spent up to now is 85.0 secs Computing kpt #: 266 total cpu time spent up to now is 85.4 secs Computing kpt #: 267 total cpu time spent up to now is 85.7 secs Computing kpt #: 268 total cpu time spent up to now is 86.0 secs Computing kpt #: 269 total cpu time spent up to now is 86.3 secs Computing kpt #: 270 total cpu time spent up to now is 86.6 secs Computing kpt #: 271 total cpu time spent up to now is 86.8 secs Computing kpt #: 272 total cpu time spent up to now is 87.1 secs Computing kpt #: 273 total cpu time spent up to now is 87.4 secs Computing kpt #: 274 total cpu time spent up to now is 87.6 secs Computing kpt #: 275 total cpu time spent up to now is 87.9 secs Computing kpt #: 276 total cpu time spent up to now is 88.2 secs Computing kpt #: 277 total cpu time spent up to now is 88.5 secs Computing kpt #: 278 total cpu time spent up to now is 88.8 secs Computing kpt #: 279 total cpu time spent up to now is 89.0 secs Computing kpt #: 280 total cpu time spent up to now is 89.3 secs Computing kpt #: 281 total cpu time spent up to now is 89.6 secs Computing kpt #: 282 total cpu time spent up to now is 89.8 secs Computing kpt #: 283 total cpu time spent up to now is 90.1 secs Computing kpt #: 284 total cpu time spent up to now is 90.4 secs Computing kpt #: 285 total cpu time spent up to now is 90.8 secs Computing kpt #: 286 total cpu time spent up to now is 91.1 secs Computing kpt #: 287 total cpu time spent up to now is 91.4 secs Computing kpt #: 288 total cpu time spent up to now is 91.8 secs Computing kpt #: 289 total cpu time spent up to now is 92.1 secs Computing kpt #: 290 total cpu time spent up to now is 92.3 secs Computing kpt #: 291 total cpu time spent up to now is 92.5 secs Computing kpt #: 292 total cpu time spent up to now is 92.8 secs Computing kpt #: 293 total cpu time spent up to now is 93.0 secs Computing kpt #: 294 total cpu time spent up to now is 93.3 secs Computing kpt #: 295 total cpu time spent up to now is 93.5 secs Computing kpt #: 296 total cpu time spent up to now is 93.8 secs Computing kpt #: 297 total cpu time spent up to now is 94.0 secs Computing kpt #: 298 total cpu time spent up to now is 94.3 secs Computing kpt #: 299 total cpu time spent up to now is 94.5 secs Computing kpt #: 300 total cpu time spent up to now is 94.8 secs Computing kpt #: 301 total cpu time spent up to now is 95.0 secs Computing kpt #: 302 total cpu time spent up to now is 95.3 secs Computing kpt #: 303 total cpu time spent up to now is 95.5 secs Computing kpt #: 304 total cpu time spent up to now is 95.8 secs Computing kpt #: 305 total cpu time spent up to now is 96.0 secs Computing kpt #: 306 total cpu time spent up to now is 96.3 secs Computing kpt #: 307 total cpu time spent up to now is 96.5 secs Computing kpt #: 308 total cpu time spent up to now is 96.8 secs Computing kpt #: 309 total cpu time spent up to now is 97.0 secs Computing kpt #: 310 total cpu time spent up to now is 97.3 secs Computing kpt #: 311 total cpu time spent up to now is 97.5 secs Computing kpt #: 312 total cpu time spent up to now is 97.8 secs Computing kpt #: 313 total cpu time spent up to now is 98.1 secs Computing kpt #: 314 total cpu time spent up to now is 98.3 secs Computing kpt #: 315 total cpu time spent up to now is 98.6 secs Computing kpt #: 316 total cpu time spent up to now is 98.9 secs Computing kpt #: 317 total cpu time spent up to now is 99.1 secs Computing kpt #: 318 total cpu time spent up to now is 99.4 secs Computing kpt #: 319 total cpu time spent up to now is 99.7 secs Computing kpt #: 320 total cpu time spent up to now is 100.0 secs Computing kpt #: 321 total cpu time spent up to now is 100.3 secs Computing kpt #: 322 total cpu time spent up to now is 100.6 secs Computing kpt #: 323 total cpu time spent up to now is 101.0 secs Computing kpt #: 324 total cpu time spent up to now is 101.3 secs Computing kpt #: 325 total cpu time spent up to now is 101.7 secs Computing kpt #: 326 total cpu time spent up to now is 102.0 secs Computing kpt #: 327 total cpu time spent up to now is 102.3 secs Computing kpt #: 328 total cpu time spent up to now is 102.6 secs Computing kpt #: 329 total cpu time spent up to now is 102.8 secs Computing kpt #: 330 total cpu time spent up to now is 103.1 secs Computing kpt #: 331 total cpu time spent up to now is 103.4 secs Computing kpt #: 332 total cpu time spent up to now is 103.7 secs Computing kpt #: 333 total cpu time spent up to now is 103.9 secs Computing kpt #: 334 total cpu time spent up to now is 104.2 secs Computing kpt #: 335 total cpu time spent up to now is 104.5 secs Computing kpt #: 336 total cpu time spent up to now is 104.7 secs Computing kpt #: 337 total cpu time spent up to now is 105.0 secs Computing kpt #: 338 total cpu time spent up to now is 105.3 secs Computing kpt #: 339 total cpu time spent up to now is 105.5 secs Computing kpt #: 340 total cpu time spent up to now is 105.8 secs Computing kpt #: 341 total cpu time spent up to now is 106.1 secs Computing kpt #: 342 total cpu time spent up to now is 106.3 secs Computing kpt #: 343 total cpu time spent up to now is 106.7 secs Computing kpt #: 344 total cpu time spent up to now is 107.1 secs Computing kpt #: 345 total cpu time spent up to now is 107.4 secs Computing kpt #: 346 total cpu time spent up to now is 107.8 secs Computing kpt #: 347 total cpu time spent up to now is 108.1 secs Computing kpt #: 348 total cpu time spent up to now is 108.4 secs Computing kpt #: 349 total cpu time spent up to now is 108.7 secs Computing kpt #: 350 total cpu time spent up to now is 108.9 secs Computing kpt #: 351 total cpu time spent up to now is 109.2 secs Computing kpt #: 352 total cpu time spent up to now is 109.5 secs Computing kpt #: 353 total cpu time spent up to now is 109.7 secs Computing kpt #: 354 total cpu time spent up to now is 110.0 secs Computing kpt #: 355 total cpu time spent up to now is 110.2 secs Computing kpt #: 356 total cpu time spent up to now is 110.5 secs Computing kpt #: 357 total cpu time spent up to now is 110.7 secs Computing kpt #: 358 total cpu time spent up to now is 111.0 secs Computing kpt #: 359 total cpu time spent up to now is 111.2 secs Computing kpt #: 360 total cpu time spent up to now is 111.5 secs Computing kpt #: 361 total cpu time spent up to now is 111.7 secs Computing kpt #: 362 total cpu time spent up to now is 112.2 secs Computing kpt #: 363 total cpu time spent up to now is 112.4 secs Computing kpt #: 364 total cpu time spent up to now is 112.7 secs Computing kpt #: 365 total cpu time spent up to now is 112.9 secs Computing kpt #: 366 total cpu time spent up to now is 113.2 secs Computing kpt #: 367 total cpu time spent up to now is 113.4 secs Computing kpt #: 368 total cpu time spent up to now is 113.7 secs Computing kpt #: 369 total cpu time spent up to now is 113.9 secs Computing kpt #: 370 total cpu time spent up to now is 114.2 secs Computing kpt #: 371 total cpu time spent up to now is 114.4 secs Computing kpt #: 372 total cpu time spent up to now is 114.7 secs Computing kpt #: 373 total cpu time spent up to now is 115.0 secs Computing kpt #: 374 total cpu time spent up to now is 115.3 secs Computing kpt #: 375 total cpu time spent up to now is 115.6 secs Computing kpt #: 376 total cpu time spent up to now is 115.9 secs Computing kpt #: 377 total cpu time spent up to now is 116.2 secs Computing kpt #: 378 total cpu time spent up to now is 116.5 secs Computing kpt #: 379 total cpu time spent up to now is 116.8 secs Computing kpt #: 380 total cpu time spent up to now is 117.6 secs Computing kpt #: 381 total cpu time spent up to now is 117.9 secs Computing kpt #: 382 total cpu time spent up to now is 118.2 secs Computing kpt #: 383 total cpu time spent up to now is 118.5 secs Computing kpt #: 384 total cpu time spent up to now is 118.7 secs Computing kpt #: 385 total cpu time spent up to now is 119.0 secs Computing kpt #: 386 total cpu time spent up to now is 119.3 secs Computing kpt #: 387 total cpu time spent up to now is 119.6 secs Computing kpt #: 388 total cpu time spent up to now is 119.8 secs Computing kpt #: 389 total cpu time spent up to now is 120.1 secs Computing kpt #: 390 total cpu time spent up to now is 120.4 secs Computing kpt #: 391 total cpu time spent up to now is 120.7 secs Computing kpt #: 392 total cpu time spent up to now is 120.9 secs Computing kpt #: 393 total cpu time spent up to now is 121.2 secs Computing kpt #: 394 total cpu time spent up to now is 121.5 secs Computing kpt #: 395 total cpu time spent up to now is 121.8 secs Computing kpt #: 396 total cpu time spent up to now is 122.1 secs Computing kpt #: 397 total cpu time spent up to now is 122.3 secs Computing kpt #: 398 total cpu time spent up to now is 122.6 secs Computing kpt #: 399 total cpu time spent up to now is 122.9 secs Computing kpt #: 400 total cpu time spent up to now is 123.2 secs Computing kpt #: 401 total cpu time spent up to now is 123.4 secs Computing kpt #: 402 total cpu time spent up to now is 123.7 secs Computing kpt #: 403 total cpu time spent up to now is 124.0 secs Computing kpt #: 404 total cpu time spent up to now is 124.3 secs Computing kpt #: 405 total cpu time spent up to now is 124.6 secs Computing kpt #: 406 total cpu time spent up to now is 124.9 secs Computing kpt #: 407 total cpu time spent up to now is 125.2 secs Computing kpt #: 408 total cpu time spent up to now is 125.5 secs Computing kpt #: 409 total cpu time spent up to now is 125.8 secs Computing kpt #: 410 total cpu time spent up to now is 126.1 secs Computing kpt #: 411 total cpu time spent up to now is 126.4 secs Computing kpt #: 412 total cpu time spent up to now is 126.7 secs Computing kpt #: 413 total cpu time spent up to now is 127.0 secs Computing kpt #: 414 total cpu time spent up to now is 127.3 secs Computing kpt #: 415 total cpu time spent up to now is 127.5 secs Computing kpt #: 416 total cpu time spent up to now is 127.8 secs Computing kpt #: 417 total cpu time spent up to now is 128.1 secs Computing kpt #: 418 total cpu time spent up to now is 128.4 secs Computing kpt #: 419 total cpu time spent up to now is 128.6 secs Computing kpt #: 420 total cpu time spent up to now is 128.9 secs Computing kpt #: 421 total cpu time spent up to now is 129.2 secs Computing kpt #: 422 total cpu time spent up to now is 129.4 secs ethr = 2.78E-08, avg # of iterations = 16.9 total cpu time spent up to now is 129.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3039 PWs) bands (ev): -4.2858 -4.2858 -1.7801 -1.7801 1.4351 1.4351 1.4553 1.4553 1.4666 1.4666 1.6499 1.6499 1.7202 1.7202 1.7908 1.7908 1.8603 1.8603 1.8927 1.8927 1.9007 1.9007 2.3445 2.3445 3.6711 3.6711 5.5764 5.5764 5.9536 5.9536 6.7456 6.7456 7.6253 7.6253 8.8925 8.8925 9.4165 9.4165 10.1863 10.1863 12.3028 12.3028 13.9131 13.9131 k = 0.0086 0.0097-0.0000 ( 3035 PWs) bands (ev): -4.2846 -4.2846 -1.7802 -1.7802 1.4348 1.4348 1.4551 1.4551 1.4670 1.4670 1.6497 1.6497 1.7200 1.7200 1.7910 1.7910 1.8603 1.8603 1.8925 1.8925 1.9009 1.9009 2.3434 2.3434 3.6727 3.6727 5.5683 5.5683 5.9388 5.9388 6.7639 6.7639 7.6288 7.6288 8.8905 8.8905 9.4146 9.4146 10.1889 10.1889 12.3062 12.3062 13.9105 13.9105 k = 0.0173 0.0194-0.0000 ( 3039 PWs) bands (ev): -4.2811 -4.2811 -1.7806 -1.7806 1.4341 1.4341 1.4545 1.4545 1.4678 1.4678 1.6491 1.6491 1.7190 1.7190 1.7916 1.7916 1.8603 1.8603 1.8918 1.8918 1.9014 1.9014 2.3404 2.3404 3.6775 3.6775 5.5445 5.5445 5.8980 5.8980 6.8152 6.8152 7.6388 7.6388 8.8847 8.8847 9.4090 9.4090 10.1972 10.1972 12.3165 12.3165 13.8985 13.8985 k = 0.0259 0.0290-0.0000 ( 3031 PWs) bands (ev): -4.2752 -4.2752 -1.7812 -1.7812 1.4329 1.4329 1.4537 1.4537 1.4691 1.4691 1.6482 1.6482 1.7176 1.7176 1.7927 1.7927 1.8605 1.8605 1.8907 1.8907 1.9021 1.9021 2.3354 2.3354 3.6855 3.6855 5.5067 5.5067 5.8383 5.8383 6.8916 6.8916 7.6538 7.6538 8.8749 8.8749 9.3998 9.3998 10.2119 10.2119 12.3329 12.3329 13.8716 13.8716 k = 0.0345 0.0387-0.0000 ( 3019 PWs) bands (ev): -4.2669 -4.2669 -1.7821 -1.7821 1.4313 1.4313 1.4528 1.4528 1.4705 1.4705 1.6468 1.6468 1.7156 1.7156 1.7940 1.7940 1.8606 1.8606 1.8894 1.8894 1.9028 1.9028 2.3286 2.3286 3.6966 3.6966 5.4572 5.4572 5.7667 5.7667 6.9851 6.9851 7.6716 7.6716 8.8611 8.8611 9.3876 9.3876 10.2344 10.2344 12.3548 12.3548 13.8303 13.8303 k = 0.0432 0.0484-0.0000 ( 3027 PWs) bands (ev): -4.2563 -4.2563 -1.7833 -1.7833 1.4294 1.4294 1.4518 1.4518 1.4720 1.4720 1.6451 1.6451 1.7132 1.7132 1.7956 1.7956 1.8607 1.8607 1.8879 1.8879 1.9036 1.9036 2.3199 2.3199 3.7108 3.7108 5.3983 5.3983 5.6881 5.6881 7.0898 7.0898 7.6898 7.6898 8.8434 8.8434 9.3728 9.3728 10.2664 10.2664 12.3810 12.3810 13.7771 13.7771 k = 0.0518 0.0581-0.0000 ( 3027 PWs) bands (ev): -4.2433 -4.2433 -1.7848 -1.7848 1.4272 1.4272 1.4508 1.4508 1.4735 1.4735 1.6431 1.6431 1.7104 1.7104 1.7975 1.7975 1.8607 1.8607 1.8863 1.8863 1.9043 1.9043 2.3094 2.3094 3.7280 3.7280 5.3320 5.3320 5.6060 5.6060 7.2008 7.2008 7.7064 7.7064 8.8217 8.8217 9.3563 9.3563 10.3094 10.3094 12.4102 12.4102 13.7142 13.7142 k = 0.0604 0.0677-0.0000 ( 3017 PWs) bands (ev): -4.2281 -4.2281 -1.7867 -1.7867 1.4248 1.4248 1.4498 1.4498 1.4750 1.4750 1.6407 1.6407 1.7074 1.7074 1.7996 1.7996 1.8606 1.8606 1.8847 1.8847 1.9050 1.9050 2.2974 2.2974 3.7482 3.7482 5.2599 5.2599 5.5232 5.5232 7.3136 7.3136 7.7202 7.7202 8.7964 8.7964 9.3391 9.3391 10.3649 10.3649 12.4412 12.4412 13.6432 13.6432 k = 0.0691 0.0774-0.0000 ( 3021 PWs) bands (ev): -4.2105 -4.2105 -1.7891 -1.7891 1.4222 1.4222 1.4487 1.4487 1.4764 1.4764 1.6380 1.6380 1.7041 1.7041 1.8018 1.8018 1.8604 1.8604 1.8831 1.8831 1.9057 1.9057 2.2839 2.2839 3.7712 3.7712 5.1827 5.1827 5.4418 5.4418 7.4223 7.4223 7.7324 7.7324 8.7678 8.7678 9.3229 9.3229 10.4341 10.4341 12.4723 12.4723 13.5656 13.5656 k = 0.0777 0.0871-0.0000 ( 3017 PWs) bands (ev): -4.1907 -4.1907 -1.7919 -1.7919 1.4196 1.4196 1.4476 1.4476 1.4776 1.4776 1.6350 1.6350 1.7007 1.7007 1.8042 1.8042 1.8600 1.8600 1.8816 1.8816 1.9063 1.9063 2.2691 2.2691 3.7969 3.7969 5.1010 5.1010 5.3640 5.3640 7.5161 7.5161 7.7493 7.7493 8.7365 8.7365 9.3096 9.3096 10.5173 10.5173 12.5019 12.5019 13.4826 13.4826 k = 0.0863 0.0968-0.0000 ( 3017 PWs) bands (ev): -4.1686 -4.1686 -1.7953 -1.7953 1.4169 1.4169 1.4465 1.4465 1.4788 1.4788 1.6317 1.6317 1.6973 1.6973 1.8067 1.8067 1.8593 1.8593 1.8801 1.8801 1.9068 1.9068 2.2532 2.2532 3.8252 3.8252 5.0153 5.0153 5.2911 5.2911 7.5751 7.5751 7.7865 7.7865 8.7035 8.7035 9.3020 9.3020 10.6148 10.6148 12.5284 12.5284 13.3955 13.3955 k = 0.0949 0.1065-0.0000 ( 3017 PWs) bands (ev): -4.1443 -4.1443 -1.7994 -1.7994 1.4142 1.4142 1.4453 1.4453 1.4798 1.4798 1.6281 1.6281 1.6938 1.6938 1.8093 1.8093 1.8584 1.8584 1.8789 1.8789 1.9073 1.9073 2.2365 2.2365 3.8558 3.8558 4.9262 4.9262 5.2242 5.2242 7.5890 7.5890 7.8495 7.8495 8.6697 8.6697 9.3039 9.3039 10.7260 10.7260 12.5498 12.5498 13.3052 13.3052 k = 0.1036 0.1161-0.0000 ( 3013 PWs) bands (ev): -4.1177 -4.1177 -1.8041 -1.8041 1.4116 1.4116 1.4440 1.4440 1.4806 1.4806 1.6242 1.6242 1.6906 1.6906 1.8119 1.8119 1.8571 1.8571 1.8778 1.8778 1.9078 1.9078 2.2191 2.2191 3.8886 3.8886 4.8347 4.8347 5.1635 5.1635 7.5725 7.5725 7.9188 7.9188 8.6362 8.6362 9.3197 9.3197 10.8502 10.8502 12.5635 12.5635 13.2125 13.2125 k = 0.1122 0.1258-0.0000 ( 3013 PWs) bands (ev): -4.0891 -4.0891 -1.8096 -1.8096 1.4090 1.4090 1.4427 1.4427 1.4813 1.4813 1.6200 1.6200 1.6876 1.6876 1.8145 1.8145 1.8556 1.8556 1.8768 1.8768 1.9081 1.9081 2.2013 2.2013 3.9231 3.9231 4.7420 4.7420 5.1092 5.1092 7.5389 7.5389 7.9763 7.9763 8.6036 8.6036 9.3544 9.3544 10.9863 10.9863 12.5670 12.5670 13.1182 13.1182 k = 0.1208 0.1355-0.0000 ( 3009 PWs) bands (ev): -4.0583 -4.0583 -1.8159 -1.8159 1.4066 1.4066 1.4414 1.4414 1.4818 1.4818 1.6156 1.6156 1.6848 1.6848 1.8172 1.8172 1.8537 1.8537 1.8761 1.8761 1.9084 1.9084 2.1832 2.1832 3.9587 3.9587 4.6495 4.6495 5.0609 5.0609 7.4939 7.4939 8.0136 8.0136 8.5716 8.5716 9.4122 9.4122 11.1332 11.1332 12.5569 12.5569 13.0228 13.0228 k = 0.1295 0.1452-0.0000 ( 3007 PWs) bands (ev): -4.0255 -4.0255 -1.8231 -1.8231 1.4043 1.4043 1.4400 1.4400 1.4822 1.4822 1.6109 1.6109 1.6824 1.6824 1.8198 1.8198 1.8516 1.8516 1.8755 1.8755 1.9085 1.9085 2.1652 2.1652 3.9943 3.9943 4.5590 4.5590 5.0184 5.0184 7.4401 7.4401 8.0284 8.0284 8.5390 8.5390 9.4951 9.4951 11.2894 11.2894 12.5299 12.5299 12.9269 12.9269 k = 0.1381 0.1549-0.0000 ( 3009 PWs) bands (ev): -3.9906 -3.9906 -1.8313 -1.8313 1.4022 1.4022 1.4385 1.4385 1.4823 1.4823 1.6060 1.6060 1.6804 1.6804 1.8224 1.8224 1.8492 1.8492 1.8749 1.8749 1.9085 1.9085 2.1474 2.1474 4.0278 4.0278 4.4732 4.4732 4.9815 4.9815 7.3793 7.3793 8.0227 8.0227 8.5043 8.5043 9.6020 9.6020 11.4528 11.4528 12.4834 12.4834 12.8305 12.8305 k = 0.1467 0.1645-0.0000 ( 3003 PWs) bands (ev): -3.9537 -3.9537 -1.8405 -1.8405 1.4003 1.4003 1.4370 1.4370 1.4824 1.4824 1.6010 1.6010 1.6789 1.6789 1.8250 1.8250 1.8468 1.8468 1.8745 1.8745 1.9083 1.9083 2.1301 2.1301 4.0542 4.0542 4.3976 4.3976 4.9501 4.9501 7.3126 7.3126 8.0005 8.0005 8.4664 8.4664 9.7300 9.7300 11.6205 11.6205 12.4173 12.4173 12.7339 12.7339 k = 0.1554 0.1742-0.0000 ( 3003 PWs) bands (ev): -3.9150 -3.9150 -1.8507 -1.8507 1.3987 1.3987 1.4355 1.4355 1.4823 1.4823 1.5959 1.5959 1.6778 1.6778 1.8274 1.8274 1.8442 1.8442 1.8740 1.8740 1.9080 1.9080 2.1134 2.1134 4.0630 4.0630 4.3429 4.3429 4.9239 4.9239 7.2408 7.2408 7.9662 7.9662 8.4246 8.4246 9.8752 9.8752 11.7840 11.7840 12.3380 12.3380 12.6374 12.6374 k = 0.1640 0.1839-0.0000 ( 2999 PWs) bands (ev): -3.8744 -3.8744 -1.8619 -1.8619 1.3973 1.3973 1.4340 1.4340 1.4821 1.4821 1.5908 1.5908 1.6773 1.6773 1.8294 1.8294 1.8419 1.8419 1.8736 1.8736 1.9074 1.9074 2.0976 2.0976 4.0402 4.0402 4.3234 4.3234 4.9030 4.9030 7.1647 7.1647 7.9234 7.9234 8.3791 8.3791 10.0339 10.0339 11.9115 11.9115 12.2779 12.2779 12.5417 12.5417 k = 0.1726 0.1936-0.0000 ( 2999 PWs) bands (ev): -3.8320 -3.8320 -1.8743 -1.8743 1.3962 1.3962 1.4325 1.4325 1.4817 1.4817 1.5857 1.5857 1.6773 1.6773 1.8306 1.8306 1.8402 1.8402 1.8733 1.8733 1.9066 1.9066 2.0828 2.0828 3.9869 3.9869 4.3380 4.3380 4.8872 4.8872 7.0849 7.0849 7.8746 7.8746 8.3306 8.3306 10.2029 10.2029 11.9131 11.9131 12.3280 12.3280 12.4485 12.4485 k = 0.1813 0.2032-0.0000 ( 3003 PWs) bands (ev): -3.7879 -3.7879 -1.8878 -1.8878 1.3954 1.3954 1.4310 1.4310 1.4813 1.4813 1.5806 1.5806 1.6778 1.6778 1.8300 1.8300 1.8401 1.8401 1.8729 1.8729 1.9055 1.9055 2.0691 2.0691 3.9175 3.9175 4.3724 4.3724 4.8767 4.8767 7.0020 7.0020 7.8217 7.8217 8.2795 8.2795 10.3794 10.3794 11.7980 11.7980 12.3497 12.3497 12.4911 12.4911 k = 0.1899 0.2129-0.0000 ( 3003 PWs) bands (ev): -3.7422 -3.7422 -1.9025 -1.9025 1.3948 1.3948 1.4297 1.4297 1.4807 1.4807 1.5758 1.5758 1.6789 1.6789 1.8278 1.8278 1.8413 1.8413 1.8726 1.8726 1.9042 1.9042 2.0567 2.0567 3.8421 3.8421 4.4165 4.4165 4.8715 4.8715 6.9164 6.9164 7.7660 7.7660 8.2265 8.2265 10.5610 10.5610 11.6411 11.6411 12.2597 12.2597 12.6820 12.6820 k = 0.1985 0.2226-0.0000 ( 3007 PWs) bands (ev): -3.6950 -3.6950 -1.9182 -1.9182 1.3946 1.3946 1.4284 1.4284 1.4801 1.4801 1.5712 1.5712 1.6805 1.6805 1.8249 1.8249 1.8432 1.8432 1.8723 1.8723 1.9026 1.9026 2.0456 2.0456 3.7652 3.7652 4.4653 4.4653 4.8718 4.8718 6.8285 6.8285 7.7084 7.7084 8.1721 8.1721 10.7453 10.7453 11.4669 11.4669 12.1705 12.1705 12.8879 12.8879 k = 0.2072 0.2323-0.0000 ( 3015 PWs) bands (ev): -3.6463 -3.6463 -1.9350 -1.9350 1.3947 1.3947 1.4272 1.4272 1.4795 1.4795 1.5669 1.5669 1.6827 1.6827 1.8215 1.8215 1.8451 1.8451 1.8721 1.8721 1.9009 1.9009 2.0358 2.0358 3.6888 3.6888 4.5165 4.5165 4.8779 4.8779 6.7385 6.7385 7.6497 7.6497 8.1168 8.1168 10.9281 10.9281 11.2860 11.2860 12.0835 12.0835 13.1021 13.1021 k = 0.2158 0.2420-0.0000 ( 3023 PWs) bands (ev): -3.5963 -3.5963 -1.9529 -1.9529 1.3952 1.3952 1.4262 1.4262 1.4788 1.4788 1.5629 1.5629 1.6854 1.6854 1.8179 1.8179 1.8469 1.8469 1.8720 1.8720 1.8990 1.8990 2.0274 2.0274 3.6141 3.6141 4.5687 4.5687 4.8904 4.8904 6.6468 6.6468 7.5904 7.5904 8.0609 8.0609 11.0508 11.0508 11.1586 11.1586 11.9992 11.9992 13.3221 13.3221 k = 0.2244 0.2516-0.0000 ( 3019 PWs) bands (ev): -3.5451 -3.5451 -1.9718 -1.9718 1.3960 1.3960 1.4255 1.4255 1.4781 1.4781 1.5594 1.5594 1.6886 1.6886 1.8142 1.8142 1.8483 1.8483 1.8722 1.8722 1.8972 1.8972 2.0204 2.0204 3.5414 3.5414 4.6204 4.6204 4.9099 4.9099 6.5534 6.5534 7.5308 7.5308 8.0048 8.0048 10.8899 10.8899 11.3073 11.3073 11.9189 11.9189 13.5470 13.5470 k = 0.2330 0.2613-0.0000 ( 3019 PWs) bands (ev): -3.4928 -3.4928 -1.9915 -1.9915 1.3972 1.3972 1.4249 1.4249 1.4773 1.4773 1.5562 1.5562 1.6923 1.6923 1.8105 1.8105 1.8493 1.8493 1.8726 1.8726 1.8955 1.8955 2.0146 2.0146 3.4712 3.4712 4.6707 4.6707 4.9370 4.9370 6.4585 6.4585 7.4713 7.4713 7.9489 7.9489 10.7001 10.7001 11.4724 11.4724 11.8460 11.8460 13.7759 13.7759 k = 0.2417 0.2710-0.0000 ( 3027 PWs) bands (ev): -3.4395 -3.4395 -2.0122 -2.0122 1.3988 1.3988 1.4246 1.4246 1.4766 1.4766 1.5535 1.5535 1.6963 1.6963 1.8067 1.8067 1.8497 1.8497 1.8734 1.8734 1.8942 1.8942 2.0099 2.0099 3.4037 3.4037 4.7188 4.7188 4.9722 4.9722 6.3623 6.3623 7.4122 7.4122 7.8933 7.8933 10.5093 10.5093 11.6038 11.6038 11.7998 11.7998 14.0083 14.0083 k = 0.2503 0.2807-0.0000 ( 3023 PWs) bands (ev): -3.3853 -3.3853 -2.0335 -2.0335 1.4009 1.4009 1.4246 1.4246 1.4759 1.4759 1.5514 1.5514 1.7008 1.7008 1.8030 1.8030 1.8495 1.8495 1.8743 1.8743 1.8935 1.8935 2.0062 2.0062 3.3390 3.3390 4.7644 4.7644 5.0153 5.0153 6.2648 6.2648 7.3537 7.3537 7.8383 7.8383 10.3201 10.3201 11.6236 11.6236 11.8504 11.8504 14.2433 14.2433 k = 0.2589 0.2904-0.0000 ( 3015 PWs) bands (ev): -3.3305 -3.3305 -2.0556 -2.0556 1.4035 1.4035 1.4248 1.4248 1.4752 1.4752 1.5497 1.5497 1.7056 1.7056 1.7995 1.7995 1.8488 1.8488 1.8754 1.8754 1.8936 1.8936 2.0035 2.0035 3.2772 3.2772 4.8081 4.8081 5.0658 5.0658 6.1662 6.1662 7.2960 7.2960 7.7840 7.7840 10.1337 10.1337 11.5694 11.5694 11.9518 11.9518 14.4031 14.4031 k = 0.2676 0.3000-0.0000 ( 3011 PWs) bands (ev): -3.2751 -3.2751 -2.0782 -2.0782 1.4068 1.4068 1.4252 1.4252 1.4745 1.4745 1.5485 1.5485 1.7105 1.7105 1.7961 1.7961 1.8476 1.8476 1.8763 1.8763 1.8947 1.8947 2.0015 2.0015 3.2182 3.2182 4.8507 4.8507 5.1225 5.1225 6.0665 6.0665 7.2393 7.2393 7.7307 7.7307 9.9510 9.9510 11.5033 11.5033 12.0317 12.0317 14.3394 14.3394 k = 0.2762 0.3097-0.0000 ( 3011 PWs) bands (ev): -3.2194 -3.2194 -2.1012 -2.1012 1.4107 1.4107 1.4259 1.4259 1.4738 1.4738 1.5478 1.5478 1.7155 1.7155 1.7930 1.7930 1.8461 1.8461 1.8770 1.8770 1.8967 1.8967 2.0002 2.0002 3.1622 3.1622 4.8932 4.8932 5.1839 5.1839 5.9658 5.9658 7.1838 7.1838 7.6785 7.6785 9.7726 9.7726 11.4361 11.4361 12.0699 12.0699 14.3080 14.3080 k = 0.2848 0.3194-0.0000 ( 3005 PWs) bands (ev): -3.1634 -3.1634 -2.1245 -2.1245 1.4156 1.4156 1.4267 1.4267 1.4732 1.4732 1.5477 1.5477 1.7204 1.7204 1.7902 1.7902 1.8444 1.8444 1.8776 1.8776 1.8996 1.8996 1.9995 1.9995 3.1091 3.1091 4.9366 4.9366 5.2490 5.2490 5.8645 5.8645 7.1295 7.1295 7.6275 7.6275 9.5992 9.5992 11.3700 11.3700 12.0589 12.0589 14.3282 14.3282 k = 0.2935 0.3291-0.0000 ( 3005 PWs) bands (ev): -3.1075 -3.1075 -2.1481 -2.1481 1.4214 1.4214 1.4277 1.4277 1.4726 1.4726 1.5481 1.5481 1.7252 1.7252 1.7880 1.7880 1.8426 1.8426 1.8781 1.8781 1.9033 1.9033 1.9993 1.9993 3.0589 3.0589 4.9810 4.9810 5.3167 5.3167 5.7629 5.7629 7.0766 7.0766 7.5779 7.5779 9.4313 9.4313 11.3057 11.3057 11.9996 11.9996 14.4009 14.4009 k = 0.3021 0.3387-0.0000 ( 3001 PWs) bands (ev): -3.0517 -3.0517 -2.1718 -2.1718 1.4283 1.4283 1.4288 1.4288 1.4719 1.4719 1.5491 1.5491 1.7296 1.7296 1.7862 1.7862 1.8408 1.8408 1.8788 1.8788 1.9075 1.9075 1.9995 1.9995 3.0114 3.0114 5.0265 5.0265 5.3855 5.3855 5.6625 5.6625 7.0253 7.0253 7.5297 7.5297 9.2692 9.2692 11.2437 11.2437 11.8994 11.8994 14.5191 14.5191 k = 0.3107 0.3484-0.0000 ( 3005 PWs) bands (ev): -2.9964 -2.9964 -2.1954 -2.1954 1.4299 1.4299 1.4364 1.4364 1.4713 1.4713 1.5506 1.5506 1.7335 1.7335 1.7851 1.7851 1.8391 1.8391 1.8796 1.8796 1.9123 1.9123 2.0001 2.0001 2.9668 2.9668 5.0716 5.0716 5.4511 5.4511 5.5688 5.5688 6.9755 6.9755 7.4830 7.4830 9.1135 9.1135 11.1839 11.1839 11.7681 11.7681 14.6726 14.6726 k = 0.3194 0.3581-0.0000 ( 3009 PWs) bands (ev): -2.9416 -2.9416 -2.2188 -2.2188 1.4310 1.4310 1.4457 1.4457 1.4707 1.4707 1.5528 1.5528 1.7369 1.7369 1.7847 1.7847 1.8375 1.8375 1.8807 1.8807 1.9174 1.9174 2.0011 2.0011 2.9249 2.9249 5.1120 5.1120 5.4512 5.4512 5.5482 5.5482 6.9275 6.9275 7.4381 7.4381 8.9643 8.9643 11.1263 11.1263 11.6150 11.6150 14.8512 14.8512 k = 0.3280 0.3678-0.0000 ( 3001 PWs) bands (ev): -2.8876 -2.8876 -2.2420 -2.2420 1.4322 1.4322 1.4561 1.4561 1.4703 1.4703 1.5557 1.5557 1.7396 1.7396 1.7850 1.7850 1.8361 1.8361 1.8823 1.8823 1.9228 1.9228 2.0024 2.0024 2.8857 2.8857 5.1336 5.1336 5.3869 5.3869 5.6135 5.6135 6.8813 6.8813 7.3948 7.3948 8.8221 8.8221 11.0707 11.0707 11.4476 11.4476 14.9953 14.9953 k = 0.3366 0.3775-0.0000 ( 2999 PWs) bands (ev): -2.8346 -2.8346 -2.2648 -2.2648 1.4334 1.4334 1.4668 1.4668 1.4707 1.4707 1.5595 1.5595 1.7417 1.7417 1.7859 1.7859 1.8348 1.8348 1.8843 1.8843 1.9284 1.9284 2.0040 2.0040 2.8491 2.8491 5.1069 5.1069 5.3662 5.3662 5.6859 5.6859 6.8371 6.8371 7.3533 7.3533 8.6869 8.6869 11.0156 11.0156 11.2725 11.2725 14.8383 14.8383 k = 0.3453 0.3871-0.0000 ( 3001 PWs) bands (ev): -2.7828 -2.7828 -2.2871 -2.2871 1.4346 1.4346 1.4686 1.4686 1.4808 1.4808 1.5644 1.5644 1.7433 1.7433 1.7873 1.7873 1.8336 1.8336 1.8870 1.8870 1.9343 1.9343 2.0059 2.0059 2.8152 2.8152 5.0303 5.0303 5.3964 5.3964 5.7596 5.7596 6.7948 6.7948 7.3137 7.3137 8.5591 8.5591 10.9546 10.9546 11.0999 11.0999 14.6702 14.6702 k = 0.3539 0.3968-0.0000 ( 2997 PWs) bands (ev): -2.7325 -2.7325 -2.3088 -2.3088 1.4357 1.4357 1.4681 1.4681 1.4936 1.4936 1.5707 1.5707 1.7446 1.7446 1.7889 1.7889 1.8327 1.8327 1.8906 1.8906 1.9403 1.9403 2.0081 2.0081 2.7837 2.7837 4.9314 4.9314 5.4508 5.4508 5.8335 5.8335 6.7547 6.7547 7.2761 7.2761 8.4387 8.4387 10.8496 10.8496 10.9706 10.9706 14.5061 14.5061 k = 0.3625 0.4065-0.0000 ( 2997 PWs) bands (ev): -2.6839 -2.6839 -2.3298 -2.3298 1.4369 1.4369 1.4676 1.4676 1.5062 1.5062 1.5789 1.5789 1.7456 1.7456 1.7907 1.7907 1.8319 1.8319 1.8951 1.8951 1.9465 1.9465 2.0105 2.0105 2.7548 2.7548 4.8237 4.8237 5.5159 5.5159 5.9073 5.9073 6.7168 6.7168 7.2405 7.2405 8.3258 8.3258 10.6801 10.6801 10.9070 10.9070 14.3474 14.3474 k = 0.3712 0.4162-0.0000 ( 2989 PWs) bands (ev): -2.6371 -2.6371 -2.3500 -2.3500 1.4380 1.4380 1.4670 1.4670 1.5179 1.5179 1.5895 1.5895 1.7466 1.7466 1.7925 1.7925 1.8314 1.8314 1.9010 1.9010 1.9528 1.9528 2.0132 2.0132 2.7284 2.7284 4.7120 4.7120 5.5870 5.5870 5.9806 5.9806 6.6813 6.6813 7.2069 7.2069 8.2205 8.2205 10.4946 10.4946 10.8620 10.8620 14.1947 14.1947 k = 0.3798 0.4259-0.0000 ( 2989 PWs) bands (ev): -2.5924 -2.5924 -2.3693 -2.3693 1.4391 1.4391 1.4665 1.4665 1.5279 1.5279 1.6025 1.6025 1.7477 1.7477 1.7942 1.7942 1.8309 1.8309 1.9084 1.9084 1.9594 1.9594 2.0160 2.0160 2.7045 2.7045 4.5982 4.5982 5.6620 5.6620 6.0533 6.0533 6.6483 6.6483 7.1755 7.1755 8.1227 8.1227 10.3067 10.3067 10.8232 10.8232 14.0487 14.0487 k = 0.3884 0.4355-0.0000 ( 2989 PWs) bands (ev): -2.5500 -2.5500 -2.3877 -2.3877 1.4402 1.4402 1.4659 1.4659 1.5363 1.5363 1.6173 1.6173 1.7488 1.7488 1.7958 1.7958 1.8306 1.8306 1.9175 1.9175 1.9666 1.9666 2.0192 2.0192 2.6832 2.6832 4.4835 4.4835 5.7396 5.7396 6.1251 6.1251 6.6182 6.6182 7.1463 7.1463 8.0325 8.0325 10.1193 10.1193 10.7886 10.7886 13.9097 13.9097 k = 0.3970 0.4452-0.0000 ( 2995 PWs) bands (ev): -2.5101 -2.5101 -2.4050 -2.4050 1.4412 1.4412 1.4653 1.4653 1.5431 1.5431 1.6331 1.6331 1.7501 1.7501 1.7972 1.7972 1.8304 1.8304 1.9279 1.9279 1.9749 1.9749 2.0226 2.0226 2.6646 2.6646 4.3686 4.3686 5.8185 5.8185 6.1956 6.1956 6.5916 6.5916 7.1194 7.1194 7.9498 7.9498 9.9340 9.9340 10.7574 10.7574 13.7782 13.7782 k = 0.4057 0.4549-0.0000 ( 2991 PWs) bands (ev): -2.4728 -2.4728 -2.4211 -2.4211 1.4422 1.4422 1.4647 1.4647 1.5488 1.5488 1.6487 1.6487 1.7515 1.7515 1.7985 1.7985 1.8303 1.8303 1.9389 1.9389 1.9855 1.9855 2.0267 2.0267 2.6488 2.6488 4.2543 4.2543 5.8975 5.8975 6.2640 6.2640 6.5695 6.5695 7.0950 7.0950 7.8744 7.8744 9.7516 9.7516 10.7294 10.7294 13.6547 13.6547 k = 0.4143 0.4646-0.0000 ( 2995 PWs) bands (ev): -2.4390 -2.4390 -2.4353 -2.4353 1.4431 1.4431 1.4642 1.4642 1.5537 1.5537 1.6632 1.6632 1.7532 1.7532 1.7996 1.7996 1.8302 1.8302 1.9491 1.9491 1.9990 1.9990 2.0322 2.0322 2.6361 2.6361 4.1411 4.1411 5.9751 5.9751 6.3282 6.3282 6.5546 6.5546 7.0732 7.0732 7.8064 7.8064 9.5730 9.5730 10.7045 10.7045 13.5395 13.5395 k = 0.4229 0.4742-0.0000 ( 3003 PWs) bands (ev): -2.4498 -2.4498 -2.4066 -2.4066 1.4440 1.4440 1.4636 1.4636 1.5579 1.5579 1.6758 1.6758 1.7549 1.7549 1.8006 1.8006 1.8302 1.8302 1.9572 1.9572 2.0132 2.0132 2.0424 2.0424 2.6266 2.6266 4.0299 4.0299 6.0498 6.0498 6.3815 6.3815 6.5536 6.5536 7.0542 7.0542 7.7455 7.7455 9.3991 9.3991 10.6825 10.6825 13.4333 13.4333 k = 0.4316 0.4839-0.0000 ( 3008 PWs) bands (ev): -2.4622 -2.4622 -2.3780 -2.3780 1.4448 1.4448 1.4630 1.4630 1.5616 1.5616 1.6863 1.6863 1.7566 1.7566 1.8014 1.8014 1.8302 1.8302 1.9634 1.9634 2.0227 2.0227 2.0619 2.0619 2.6209 2.6209 3.9215 3.9215 6.1197 6.1197 6.4126 6.4126 6.5783 6.5783 7.0386 7.0386 7.6917 7.6917 9.2309 9.2309 10.6634 10.6634 13.3365 13.3365 k = 0.4402 0.4936-0.0000 ( 3012 PWs) bands (ev): -2.4732 -2.4732 -2.3527 -2.3527 1.4456 1.4456 1.4625 1.4625 1.5649 1.5649 1.6948 1.6948 1.7584 1.7584 1.8020 1.8020 1.8302 1.8302 1.9681 1.9681 2.0280 2.0280 2.0887 2.0887 2.6193 2.6193 3.8169 3.8169 6.1833 6.1833 6.4201 6.4201 6.6292 6.6292 7.0271 7.0271 7.6449 7.6449 9.0697 9.0697 10.6469 10.6469 13.2496 13.2496 k = 0.4488 0.5033-0.0000 ( 3006 PWs) bands (ev): -2.4829 -2.4829 -2.3305 -2.3305 1.4464 1.4464 1.4620 1.4620 1.5678 1.5678 1.7013 1.7013 1.7600 1.7600 1.8026 1.8026 1.8303 1.8303 1.9717 1.9717 2.0314 2.0314 2.1182 2.1182 2.6223 2.6223 3.7174 3.7174 6.2394 6.2394 6.4163 6.4163 6.6922 6.6922 7.0211 7.0211 7.6050 7.6050 8.9169 8.9169 10.6330 10.6330 13.1732 13.1732 k = 0.4488 0.5033-0.0000 ( 3006 PWs) bands (ev): -2.4829 -2.4829 -2.3305 -2.3305 1.4464 1.4464 1.4620 1.4620 1.5678 1.5678 1.7013 1.7013 1.7600 1.7600 1.8026 1.8026 1.8303 1.8303 1.9717 1.9717 2.0314 2.0314 2.1182 2.1182 2.6223 2.6223 3.7174 3.7174 6.2394 6.2394 6.4163 6.4163 6.6922 6.6922 7.0211 7.0211 7.6050 7.6050 8.9169 8.9169 10.6330 10.6330 13.1732 13.1732 k = 0.4356 0.5033-0.0000 ( 3009 PWs) bands (ev): -2.4793 -2.4793 -2.3433 -2.3433 1.4457 1.4457 1.4624 1.4624 1.5654 1.5654 1.6969 1.6969 1.7582 1.7582 1.8024 1.8024 1.8303 1.8303 1.9689 1.9689 2.0281 2.0281 2.0984 2.0984 2.6239 2.6239 3.7851 3.7851 6.2027 6.2027 6.4174 6.4174 6.6487 6.6487 7.0157 7.0157 7.6432 7.6432 9.0205 9.0205 10.6463 10.6463 13.2245 13.2245 k = 0.4224 0.5033-0.0000 ( 3009 PWs) bands (ev): -2.4814 -2.4814 -2.3531 -2.3531 1.4447 1.4447 1.4628 1.4628 1.5621 1.5621 1.6914 1.6914 1.7550 1.7550 1.8024 1.8024 1.8304 1.8304 1.9648 1.9648 2.0223 2.0223 2.0798 2.0798 2.6354 2.6354 3.8572 3.8572 6.1635 6.1635 6.4118 6.4118 6.6079 6.6079 6.9978 6.9978 7.7056 7.7056 9.1302 9.1302 10.6690 10.6690 13.2821 13.2821 k = 0.4092 0.5033-0.0000 ( 3001 PWs) bands (ev): -2.4892 -2.4892 -2.3597 -2.3597 1.4434 1.4434 1.4632 1.4632 1.5578 1.5578 1.6848 1.6848 1.7507 1.7507 1.8025 1.8025 1.8306 1.8306 1.9594 1.9594 2.0145 2.0145 2.0633 2.0633 2.6557 2.6557 3.9331 3.9331 6.1227 6.1227 6.3993 6.3993 6.5714 6.5714 6.9716 6.9716 7.7867 7.7867 9.2453 9.2453 10.7011 10.7011 13.3459 13.3459 k = 0.3960 0.5033-0.0000 ( 2996 PWs) bands (ev): -2.5022 -2.5022 -2.3637 -2.3637 1.4419 1.4419 1.4636 1.4636 1.5526 1.5526 1.6769 1.6769 1.7456 1.7456 1.8025 1.8025 1.8307 1.8307 1.9525 1.9525 2.0052 2.0052 2.0495 2.0495 2.6835 2.6835 4.0120 4.0120 6.0809 6.0809 6.3807 6.3807 6.5395 6.5395 6.9415 6.9415 7.8815 7.8815 9.3652 9.3652 10.7424 10.7424 13.4157 13.4157 k = 0.3828 0.5033-0.0000 ( 3000 PWs) bands (ev): -2.5191 -2.5191 -2.3660 -2.3660 1.4400 1.4400 1.4639 1.4639 1.5465 1.5465 1.6677 1.6677 1.7401 1.7401 1.8024 1.8024 1.8309 1.8309 1.9446 1.9446 1.9949 1.9949 2.0387 2.0387 2.7176 2.7176 4.0935 4.0935 6.0391 6.0391 6.3573 6.3573 6.5114 6.5114 6.9107 6.9107 7.9866 7.9866 9.4894 9.4894 10.7926 10.7926 13.4913 13.4913 k = 0.3696 0.5033-0.0000 ( 2999 PWs) bands (ev): -2.5388 -2.5388 -2.3677 -2.3677 1.4378 1.4378 1.4640 1.4640 1.5396 1.5396 1.6573 1.6573 1.7343 1.7343 1.8021 1.8021 1.8309 1.8309 1.9361 1.9361 1.9842 1.9842 2.0305 2.0305 2.7566 2.7566 4.1769 4.1769 5.9980 5.9980 6.3312 6.3312 6.4857 6.4857 6.8815 6.8815 8.0996 8.0996 9.6174 9.6174 10.8515 10.8515 13.5726 13.5726 k = 0.3564 0.5033-0.0000 ( 3001 PWs) bands (ev): -2.5603 -2.5603 -2.3696 -2.3696 1.4353 1.4353 1.4640 1.4640 1.5323 1.5323 1.6459 1.6459 1.7285 1.7285 1.8018 1.8018 1.8309 1.8309 1.9276 1.9276 1.9736 1.9736 2.0243 2.0243 2.7994 2.7994 4.2615 4.2615 5.9584 5.9584 6.3039 6.3039 6.4613 6.4613 6.8551 6.8551 8.2190 8.2190 9.7490 9.7490 10.9189 10.9189 13.6595 13.6595 k = 0.3432 0.5033-0.0000 ( 3002 PWs) bands (ev): -2.5830 -2.5830 -2.3720 -2.3720 1.4325 1.4325 1.4638 1.4638 1.5246 1.5246 1.6336 1.6336 1.7227 1.7227 1.8014 1.8014 1.8307 1.8307 1.9195 1.9195 1.9635 1.9635 2.0195 2.0195 2.8450 2.8450 4.3466 4.3466 5.9212 5.9212 6.2764 6.2764 6.4377 6.4377 6.8329 6.8329 8.3436 8.3436 9.8837 9.8837 10.9943 10.9943 13.7516 13.7516 k = 0.3300 0.5033-0.0000 ( 3002 PWs) bands (ev): -2.6064 -2.6064 -2.3752 -2.3752 1.4293 1.4293 1.4634 1.4634 1.5168 1.5168 1.6208 1.6208 1.7170 1.7170 1.8011 1.8011 1.8304 1.8304 1.9120 1.9120 1.9541 1.9541 2.0156 2.0156 2.8924 2.8924 4.4316 4.4316 5.8869 5.8869 6.2495 6.2495 6.4145 6.4145 6.8157 6.8157 8.4728 8.4728 10.0211 10.0211 11.0773 11.0773 13.8489 13.8489 k = 0.3168 0.5033-0.0000 ( 3004 PWs) bands (ev): -2.6303 -2.6303 -2.3793 -2.3793 1.4256 1.4256 1.4627 1.4627 1.5092 1.5092 1.6077 1.6077 1.7113 1.7113 1.8009 1.8009 1.8300 1.8300 1.9053 1.9053 1.9453 1.9453 2.0124 2.0124 2.9408 2.9408 4.5156 4.5156 5.8564 5.8564 6.2235 6.2235 6.3917 6.3917 6.8045 6.8045 8.6057 8.6057 10.1611 10.1611 11.1677 11.1677 13.9511 13.9511 k = 0.3036 0.5033-0.0000 ( 3008 PWs) bands (ev): -2.6543 -2.6543 -2.3844 -2.3844 1.4215 1.4215 1.4617 1.4617 1.5020 1.5020 1.5945 1.5945 1.7058 1.7058 1.8009 1.8009 1.8294 1.8294 1.8994 1.8994 1.9373 1.9373 2.0096 2.0096 2.9895 2.9895 4.5976 4.5976 5.8302 5.8302 6.1987 6.1987 6.3692 6.3692 6.8005 6.8005 8.7419 8.7419 10.3031 10.3031 11.2650 11.2650 14.0573 14.0573 k = 0.2904 0.5033-0.0000 ( 3010 PWs) bands (ev): -2.6782 -2.6782 -2.3904 -2.3904 1.4169 1.4169 1.4603 1.4603 1.4955 1.4955 1.5816 1.5816 1.7003 1.7003 1.8010 1.8010 1.8288 1.8288 1.8943 1.8943 1.9299 1.9299 2.0070 2.0070 3.0376 3.0376 4.6767 4.6767 5.8092 5.8092 6.1753 6.1753 6.3469 6.3469 6.8045 6.8045 8.8810 8.8810 10.4467 10.4467 11.3688 11.3688 14.1606 14.1606 k = 0.2772 0.5033-0.0000 ( 3012 PWs) bands (ev): -2.7020 -2.7020 -2.3971 -2.3971 1.4119 1.4119 1.4585 1.4585 1.4896 1.4896 1.5691 1.5691 1.6949 1.6949 1.8013 1.8013 1.8281 1.8281 1.8897 1.8897 1.9232 1.9232 2.0046 2.0046 3.0846 3.0846 4.7517 4.7517 5.7939 5.7939 6.1536 6.1536 6.3246 6.3246 6.8178 6.8178 9.0223 9.0223 10.5915 10.5915 11.4788 11.4788 14.0426 14.0426 k = 0.2640 0.5033-0.0000 ( 3010 PWs) bands (ev): -2.7254 -2.7254 -2.4046 -2.4046 1.4065 1.4065 1.4563 1.4563 1.4844 1.4844 1.5572 1.5572 1.6896 1.6896 1.8019 1.8019 1.8274 1.8274 1.8858 1.8858 1.9170 1.9170 2.0024 2.0024 3.1298 3.1298 4.8215 4.8215 5.7852 5.7852 6.1340 6.1340 6.3022 6.3022 6.8411 6.8411 9.1655 9.1655 10.7367 10.7367 11.5946 11.5946 13.8203 13.8203 k = 0.2508 0.5033-0.0000 ( 3006 PWs) bands (ev): -2.7484 -2.7484 -2.4127 -2.4127 1.4009 1.4009 1.4538 1.4538 1.4797 1.4797 1.5461 1.5461 1.6843 1.6843 1.8026 1.8026 1.8268 1.8268 1.8824 1.8824 1.9114 1.9114 2.0002 2.0002 3.1726 3.1726 4.8847 4.8847 5.7835 5.7835 6.1168 6.1168 6.2800 6.2800 6.8748 6.8748 9.3099 9.3099 10.8814 10.8814 11.7158 11.7158 13.5997 13.5997 k = 0.2376 0.5033-0.0000 ( 3005 PWs) bands (ev): -2.7707 -2.7707 -2.4213 -2.4213 1.3952 1.3952 1.4510 1.4510 1.4753 1.4753 1.5361 1.5361 1.6792 1.6792 1.8035 1.8035 1.8262 1.8262 1.8793 1.8793 1.9062 1.9062 1.9981 1.9981 3.2127 3.2127 4.9401 4.9401 5.7891 5.7891 6.1028 6.1028 6.2582 6.2582 6.9193 6.9193 9.4548 9.4548 11.0244 11.0244 11.8421 11.8421 13.3846 13.3846 k = 0.2244 0.5033-0.0000 ( 3005 PWs) bands (ev): -2.7924 -2.7924 -2.4303 -2.4303 1.3895 1.3895 1.4479 1.4479 1.4711 1.4711 1.5273 1.5273 1.6741 1.6741 1.8044 1.8044 1.8257 1.8257 1.8766 1.8766 1.9015 1.9015 1.9961 1.9961 3.2497 3.2497 4.9869 4.9869 5.8014 5.8014 6.0929 6.0929 6.2378 6.2378 6.9742 6.9742 9.5993 9.5993 11.1637 11.1637 11.9730 11.9730 13.1774 13.1774 k = 0.2112 0.5033-0.0000 ( 3007 PWs) bands (ev): -2.8132 -2.8132 -2.4395 -2.4395 1.3840 1.3840 1.4445 1.4445 1.4668 1.4668 1.5197 1.5197 1.6691 1.6691 1.8053 1.8053 1.8255 1.8255 1.8741 1.8741 1.8972 1.8972 1.9940 1.9940 3.2833 3.2833 5.0247 5.0247 5.8183 5.8183 6.0878 6.0878 6.2207 6.2207 7.0390 7.0390 9.7425 9.7425 11.2966 11.2966 12.1081 12.1081 12.9812 12.9812 k = 0.1980 0.5033-0.0000 ( 3013 PWs) bands (ev): -2.8333 -2.8333 -2.4489 -2.4489 1.3786 1.3786 1.4409 1.4409 1.4624 1.4624 1.5136 1.5136 1.6643 1.6643 1.8061 1.8061 1.8255 1.8255 1.8719 1.8719 1.8932 1.8932 1.9919 1.9919 3.3135 3.3135 5.0538 5.0538 5.8365 5.8365 6.0869 6.0869 6.2110 6.2110 7.1129 7.1129 9.8829 9.8829 11.4185 11.4185 12.2465 12.2465 12.8011 12.8011 k = 0.1848 0.5033-0.0000 ( 3017 PWs) bands (ev): -2.8523 -2.8523 -2.4582 -2.4582 1.3736 1.3736 1.4368 1.4368 1.4581 1.4581 1.5086 1.5086 1.6597 1.6597 1.8067 1.8067 1.8258 1.8258 1.8698 1.8698 1.8895 1.8895 1.9899 1.9899 3.3402 3.3402 5.0749 5.0749 5.8520 5.8520 6.0858 6.0858 6.2165 6.2165 7.1946 7.1946 10.0186 10.0186 11.5216 11.5216 12.3855 12.3855 12.6466 12.6466 k = 0.1716 0.5033-0.0000 ( 3021 PWs) bands (ev): -2.8704 -2.8704 -2.4675 -2.4675 1.3690 1.3690 1.4324 1.4324 1.4540 1.4540 1.5048 1.5048 1.6553 1.6553 1.8070 1.8070 1.8266 1.8266 1.8679 1.8679 1.8862 1.8862 1.9879 1.9879 3.3635 3.3635 5.0892 5.0892 5.8623 5.8623 6.0786 6.0786 6.2451 6.2451 7.2829 7.2829 10.1473 10.1473 11.5940 11.5940 12.4781 12.4781 12.5753 12.5753 k = 0.1584 0.5033-0.0000 ( 3022 PWs) bands (ev): -2.8873 -2.8873 -2.4765 -2.4765 1.3648 1.3648 1.4276 1.4276 1.4504 1.4504 1.5019 1.5019 1.6511 1.6511 1.8071 1.8071 1.8277 1.8277 1.8662 1.8662 1.8833 1.8833 1.9859 1.9859 3.3835 3.3835 5.0981 5.0981 5.8671 5.8671 6.0649 6.0649 6.2959 6.2959 7.3763 7.3763 10.2656 10.2656 11.6212 11.6212 12.4250 12.4250 12.6991 12.6991 k = 0.1452 0.5033-0.0000 ( 3018 PWs) bands (ev): -2.9031 -2.9031 -2.4851 -2.4851 1.3610 1.3610 1.4225 1.4225 1.4472 1.4472 1.4996 1.4996 1.6472 1.6472 1.8069 1.8069 1.8292 1.8292 1.8646 1.8646 1.8806 1.8806 1.9840 1.9840 3.4006 3.4006 5.1029 5.1029 5.8679 5.8679 6.0475 6.0475 6.3632 6.3632 7.4729 7.4729 10.3693 10.3693 11.5974 11.5974 12.3990 12.3990 12.8483 12.8483 k = 0.1320 0.5033-0.0000 ( 3020 PWs) bands (ev): -2.9177 -2.9177 -2.4934 -2.4934 1.3576 1.3576 1.4174 1.4174 1.4445 1.4445 1.4979 1.4979 1.6435 1.6435 1.8065 1.8065 1.8310 1.8310 1.8631 1.8631 1.8782 1.8782 1.9821 1.9821 3.4149 3.4149 5.1047 5.1047 5.8663 5.8663 6.0288 6.0288 6.4418 6.4418 7.5708 7.5708 10.4536 10.4536 11.5355 11.5355 12.4063 12.4063 13.0014 13.0014 k = 0.1188 0.5033-0.0000 ( 3020 PWs) bands (ev): -2.9311 -2.9311 -2.5011 -2.5011 1.3546 1.3546 1.4124 1.4124 1.4421 1.4421 1.4965 1.4965 1.6401 1.6401 1.8059 1.8059 1.8329 1.8329 1.8617 1.8617 1.8760 1.8760 1.9803 1.9803 3.4267 3.4267 5.1044 5.1044 5.8635 5.8635 6.0099 6.0099 6.5276 6.5276 7.6681 7.6681 10.5137 10.5137 11.4559 11.4559 12.4286 12.4286 13.1562 13.1562 k = 0.1056 0.5033-0.0000 ( 3014 PWs) bands (ev): -2.9432 -2.9432 -2.5083 -2.5083 1.3520 1.3520 1.4077 1.4077 1.4402 1.4402 1.4955 1.4955 1.6370 1.6370 1.8053 1.8053 1.8349 1.8349 1.8605 1.8605 1.8742 1.8742 1.9787 1.9787 3.4364 3.4364 5.1028 5.1028 5.8605 5.8605 5.9915 5.9915 6.6174 6.6174 7.7622 7.7622 10.5471 10.5471 11.3720 11.3720 12.4566 12.4566 13.3113 13.3113 k = 0.0924 0.5033-0.0000 ( 3013 PWs) bands (ev): -2.9539 -2.9539 -2.5147 -2.5147 1.3497 1.3497 1.4034 1.4034 1.4384 1.4384 1.4947 1.4947 1.6343 1.6343 1.8046 1.8046 1.8369 1.8369 1.8593 1.8593 1.8726 1.8726 1.9771 1.9771 3.4442 3.4442 5.1004 5.1004 5.8577 5.8577 5.9741 5.9741 6.7084 6.7084 7.8508 7.8508 10.5564 10.5564 11.2879 11.2879 12.4916 12.4916 13.4650 13.4650 k = 0.0792 0.5033-0.0000 ( 3011 PWs) bands (ev): -2.9633 -2.9633 -2.5205 -2.5205 1.3478 1.3478 1.3995 1.3995 1.4370 1.4370 1.4940 1.4940 1.6319 1.6319 1.8039 1.8039 1.8388 1.8388 1.8583 1.8583 1.8712 1.8712 1.9756 1.9756 3.4503 3.4503 5.0976 5.0976 5.8556 5.8556 5.9579 5.9579 6.7977 6.7977 7.9313 7.9313 10.5490 10.5490 11.2020 11.2020 12.5386 12.5386 13.6156 13.6156 k = 0.0660 0.5033-0.0000 ( 3013 PWs) bands (ev): -2.9713 -2.9713 -2.5254 -2.5254 1.3461 1.3461 1.3962 1.3962 1.4358 1.4358 1.4935 1.4935 1.6298 1.6298 1.8033 1.8033 1.8406 1.8406 1.8574 1.8574 1.8700 1.8700 1.9744 1.9744 3.4551 3.4551 5.0948 5.0948 5.8542 5.8542 5.9432 5.9432 6.8825 6.8825 8.0013 8.0013 10.5357 10.5357 11.1121 11.1121 12.5997 12.5997 13.7606 13.7606 k = 0.0528 0.5033-0.0000 ( 3013 PWs) bands (ev): -2.9778 -2.9778 -2.5295 -2.5295 1.3448 1.3448 1.3935 1.3935 1.4348 1.4348 1.4932 1.4932 1.6281 1.6281 1.8028 1.8028 1.8421 1.8421 1.8567 1.8567 1.8690 1.8690 1.9733 1.9733 3.4587 3.4587 5.0922 5.0922 5.8537 5.8537 5.9303 5.9303 6.9594 6.9594 8.0587 8.0587 10.5267 10.5267 11.0183 11.0183 12.6717 12.6717 13.8967 13.8967 k = 0.0396 0.5033-0.0000 ( 3010 PWs) bands (ev): -2.9830 -2.9830 -2.5328 -2.5328 1.3438 1.3438 1.3913 1.3913 1.4340 1.4340 1.4929 1.4929 1.6268 1.6268 1.8023 1.8023 1.8434 1.8434 1.8561 1.8561 1.8682 1.8682 1.9724 1.9724 3.4613 3.4613 5.0900 5.0900 5.8540 5.8540 5.9194 5.9194 7.0248 7.0248 8.1026 8.1026 10.5294 10.5294 10.9237 10.9237 12.7470 12.7470 14.0191 14.0191 k = 0.0264 0.5033-0.0000 ( 3008 PWs) bands (ev): -2.9866 -2.9866 -2.5351 -2.5351 1.3431 1.3431 1.3898 1.3898 1.4335 1.4335 1.4927 1.4927 1.6259 1.6259 1.8020 1.8020 1.8444 1.8444 1.8557 1.8557 1.8677 1.8677 1.9718 1.9718 3.4631 3.4631 5.0883 5.0883 5.8548 5.8548 5.9109 5.9109 7.0752 7.0752 8.1329 8.1329 10.5476 10.5476 10.8335 10.8335 12.8151 12.8151 14.1204 14.1204 k = 0.0132 0.5033-0.0000 ( 3005 PWs) bands (ev): -2.9889 -2.9889 -2.5365 -2.5365 1.3427 1.3427 1.3889 1.3889 1.4331 1.4331 1.4926 1.4926 1.6253 1.6253 1.8018 1.8018 1.8450 1.8450 1.8554 1.8554 1.8673 1.8673 1.9714 1.9714 3.4641 3.4641 5.0873 5.0873 5.8557 5.8557 5.9053 5.9053 7.1070 7.1070 8.1504 8.1504 10.5790 10.5790 10.7564 10.7564 12.8634 12.8634 14.1916 14.1916 k = 0.0000 0.5033-0.0000 ( 3004 PWs) bands (ev): -2.9896 -2.9896 -2.5370 -2.5370 1.3425 1.3425 1.3886 1.3886 1.4330 1.4330 1.4926 1.4926 1.6251 1.6251 1.8018 1.8018 1.8452 1.8452 1.8553 1.8553 1.8672 1.8672 1.9712 1.9712 3.4645 3.4645 5.0869 5.0869 5.8561 5.8561 5.9034 5.9034 7.1179 7.1179 8.1561 8.1561 10.6017 10.6017 10.7181 10.7181 12.8811 12.8811 14.2205 14.2205 k = 0.0000 0.5033-0.0000 ( 3004 PWs) bands (ev): -2.9896 -2.9896 -2.5370 -2.5370 1.3425 1.3425 1.3886 1.3886 1.4330 1.4330 1.4926 1.4926 1.6251 1.6251 1.8018 1.8018 1.8452 1.8452 1.8553 1.8553 1.8672 1.8672 1.9712 1.9712 3.4645 3.4645 5.0869 5.0869 5.8561 5.8561 5.9034 5.9034 7.1179 7.1179 8.1561 8.1561 10.6017 10.6017 10.7181 10.7181 12.8811 12.8811 14.2205 14.2205 k = 0.0000 0.5033 0.0131 ( 3000 PWs) bands (ev): -2.9888 -2.9888 -2.5366 -2.5366 1.3426 1.3426 1.3886 1.3886 1.4326 1.4326 1.4927 1.4927 1.6245 1.6245 1.8016 1.8016 1.8450 1.8450 1.8545 1.8545 1.8682 1.8682 1.9713 1.9713 3.4606 3.4606 5.0560 5.0560 5.8672 5.8672 5.9308 5.9308 7.1190 7.1190 8.1569 8.1569 10.6041 10.6041 10.7211 10.7211 12.8751 12.8751 14.0931 14.0931 k = 0.0000 0.5033 0.0262 ( 3006 PWs) bands (ev): -2.9866 -2.9866 -2.5353 -2.5353 1.3427 1.3427 1.3884 1.3884 1.4313 1.4313 1.4931 1.4931 1.6229 1.6229 1.8011 1.8011 1.8441 1.8441 1.8531 1.8531 1.8705 1.8705 1.9716 1.9716 3.4490 3.4490 4.9749 4.9749 5.8886 5.8886 6.0128 6.0128 7.1221 7.1221 8.1593 8.1593 10.6112 10.6112 10.7299 10.7299 12.8574 12.8574 13.9321 13.9321 k = 0.0000 0.5033 0.0393 ( 3008 PWs) bands (ev): -2.9828 -2.9828 -2.5331 -2.5331 1.3429 1.3429 1.3882 1.3882 1.4292 1.4292 1.4937 1.4937 1.6202 1.6202 1.8002 1.8002 1.8422 1.8422 1.8522 1.8522 1.8732 1.8732 1.9720 1.9720 3.4302 3.4302 4.8645 4.8645 5.9179 5.9179 6.1304 6.1304 7.1275 7.1275 8.1634 8.1634 10.6232 10.6232 10.7447 10.7447 12.8289 12.8289 13.7707 13.7707 k = 0.0000 0.5033 0.0524 ( 3006 PWs) bands (ev): -2.9775 -2.9775 -2.5302 -2.5302 1.3431 1.3431 1.3877 1.3877 1.4264 1.4264 1.4946 1.4946 1.6167 1.6167 1.7990 1.7990 1.8394 1.8394 1.8523 1.8523 1.8760 1.8760 1.9724 1.9724 3.4049 3.4049 4.7393 4.7393 5.9563 5.9563 6.2670 6.2670 7.1352 7.1352 8.1690 8.1690 10.6399 10.6399 10.7653 10.7653 12.7909 12.7909 13.6107 13.6107 k = 0.0000 0.5033 0.0655 ( 3006 PWs) bands (ev): -2.9708 -2.9708 -2.5265 -2.5265 1.3431 1.3431 1.3871 1.3871 1.4230 1.4230 1.4955 1.4955 1.6125 1.6125 1.7975 1.7975 1.8361 1.8361 1.8530 1.8530 1.8786 1.8786 1.9730 1.9730 3.3739 3.3739 4.6072 4.6072 6.0034 6.0034 6.4135 6.4135 7.1455 7.1455 8.1761 8.1761 10.6616 10.6616 10.7917 10.7917 12.7451 12.7451 13.4530 13.4530 k = 0.0000 0.5033 0.0785 ( 3008 PWs) bands (ev): -2.9626 -2.9626 -2.5220 -2.5220 1.3428 1.3428 1.3862 1.3862 1.4191 1.4191 1.4965 1.4965 1.6077 1.6077 1.7956 1.7956 1.8328 1.8328 1.8542 1.8542 1.8810 1.8810 1.9735 1.9735 3.3381 3.3381 4.4725 4.4725 6.0585 6.0585 6.5648 6.5648 7.1591 7.1591 8.1848 8.1848 10.6881 10.6881 10.8238 10.8238 12.6930 12.6930 13.2981 13.2981 k = 0.0000 0.5033 0.0916 ( 3012 PWs) bands (ev): -2.9530 -2.9530 -2.5169 -2.5169 1.3417 1.3417 1.3850 1.3850 1.4150 1.4150 1.4976 1.4976 1.6027 1.6027 1.7933 1.7933 1.8295 1.8295 1.8556 1.8556 1.8832 1.8832 1.9739 1.9739 3.2985 3.2985 4.3374 4.3374 6.1203 6.1203 6.7168 6.7168 7.1771 7.1771 8.1948 8.1948 10.7197 10.7197 10.8615 10.8615 12.6365 12.6365 13.1467 13.1467 k = 0.0000 0.5033 0.1047 ( 3012 PWs) bands (ev): -2.9420 -2.9420 -2.5113 -2.5113 1.3396 1.3396 1.3836 1.3836 1.4112 1.4112 1.4986 1.4986 1.5977 1.5977 1.7905 1.7905 1.8266 1.8266 1.8572 1.8572 1.8851 1.8851 1.9742 1.9742 3.2561 3.2561 4.2036 4.2036 6.1879 6.1879 6.8645 6.8645 7.2027 7.2027 8.2063 8.2063 10.7563 10.7563 10.9044 10.9044 12.5770 12.5770 12.9995 12.9995 k = 0.0000 0.5033 0.1178 ( 3010 PWs) bands (ev): -2.9297 -2.9297 -2.5052 -2.5052 1.3357 1.3357 1.3820 1.3820 1.4079 1.4079 1.4995 1.4995 1.5928 1.5928 1.7874 1.7874 1.8240 1.8240 1.8591 1.8591 1.8868 1.8868 1.9743 1.9743 3.2116 3.2116 4.0719 4.0719 6.2602 6.2602 6.9979 6.9979 7.2444 7.2444 8.2193 8.2193 10.7979 10.7979 10.9523 10.9523 12.5157 12.5157 12.8575 12.8575 k = 0.0000 0.5033 0.1309 ( 3008 PWs) bands (ev): -2.9161 -2.9161 -2.4987 -2.4987 1.3295 1.3295 1.3807 1.3807 1.4055 1.4055 1.5003 1.5003 1.5884 1.5884 1.7837 1.7837 1.8219 1.8219 1.8610 1.8610 1.8882 1.8882 1.9742 1.9742 3.1659 3.1659 3.9432 3.9432 6.3361 6.3361 7.0978 7.0978 7.3202 7.3202 8.2340 8.2340 10.8444 10.8444 11.0046 11.0046 12.4531 12.4531 12.7228 12.7228 k = 0.0000 0.5033 0.1440 ( 3010 PWs) bands (ev): -2.9014 -2.9014 -2.4919 -2.4919 1.3209 1.3209 1.3798 1.3798 1.4039 1.4039 1.5009 1.5009 1.5844 1.5844 1.7794 1.7794 1.8202 1.8202 1.8630 1.8630 1.8894 1.8894 1.9738 1.9738 3.1196 3.1196 3.8180 3.8180 6.4147 6.4147 7.1573 7.1573 7.4353 7.4353 8.2506 8.2506 10.8957 10.8957 11.0606 11.0606 12.3882 12.3882 12.5987 12.5987 k = 0.0000 0.5033 0.1571 ( 3006 PWs) bands (ev): -2.8854 -2.8854 -2.4850 -2.4850 1.3101 1.3101 1.3796 1.3796 1.4030 1.4030 1.5013 1.5013 1.5811 1.5811 1.7745 1.7745 1.8190 1.8190 1.8651 1.8651 1.8905 1.8905 1.9731 1.9731 3.0734 3.0734 3.6968 3.6968 6.4949 6.4949 7.1956 7.1956 7.5689 7.5689 8.2699 8.2699 10.9514 10.9514 11.1191 11.1191 12.3174 12.3174 12.4920 12.4920 k = 0.0000 0.5033 0.1702 ( 3006 PWs) bands (ev): -2.8684 -2.8684 -2.4781 -2.4781 1.2975 1.2975 1.3797 1.3797 1.4026 1.4026 1.5014 1.5014 1.5783 1.5783 1.7690 1.7690 1.8182 1.8182 1.8673 1.8673 1.8913 1.8913 1.9721 1.9721 3.0276 3.0276 3.5800 3.5800 6.5759 6.5759 7.2266 7.2266 7.7049 7.7049 8.2930 8.2930 11.0105 11.0105 11.1788 11.1788 12.2356 12.2356 12.4115 12.4115 k = 0.0000 0.5033 0.1833 ( 3006 PWs) bands (ev): -2.8505 -2.8505 -2.4713 -2.4713 1.2837 1.2837 1.3802 1.3802 1.4025 1.4025 1.5013 1.5013 1.5761 1.5761 1.7628 1.7628 1.8180 1.8180 1.8695 1.8695 1.8919 1.8919 1.9706 1.9706 2.9828 2.9828 3.4681 3.4681 6.6569 6.6569 7.2556 7.2556 7.8352 7.8352 8.3219 8.3219 11.0714 11.0714 11.2377 11.2377 12.1457 12.1457 12.3594 12.3594 k = 0.0000 0.5033 0.1964 ( 3006 PWs) bands (ev): -2.8316 -2.8316 -2.4649 -2.4649 1.2693 1.2693 1.3808 1.3808 1.4027 1.4027 1.5009 1.5009 1.5744 1.5744 1.7559 1.7559 1.8182 1.8182 1.8717 1.8717 1.8924 1.8924 1.9688 1.9688 2.9392 2.9392 3.3614 3.3614 6.7368 6.7368 7.2843 7.2843 7.9532 7.9532 8.3601 8.3601 11.1310 11.1310 11.2931 11.2931 12.0585 12.0585 12.3313 12.3313 k = 0.0000 0.5033 0.2095 ( 3000 PWs) bands (ev): -2.8119 -2.8119 -2.4588 -2.4588 1.2548 1.2548 1.3813 1.3813 1.4031 1.4031 1.5003 1.5003 1.5732 1.5732 1.7482 1.7482 1.8189 1.8189 1.8739 1.8739 1.8927 1.8927 1.9667 1.9667 2.8972 2.8972 3.2605 3.2605 6.8149 6.8149 7.3136 7.3136 8.0531 8.0531 8.4117 8.4117 11.1842 11.1842 11.3425 11.3425 11.9852 11.9852 12.3250 12.3250 k = 0.0000 0.5033 0.2225 ( 3004 PWs) bands (ev): -2.7916 -2.7916 -2.4534 -2.4534 1.2406 1.2406 1.3817 1.3817 1.4036 1.4036 1.4991 1.4991 1.5722 1.5722 1.7396 1.7396 1.8200 1.8200 1.8761 1.8761 1.8929 1.8929 1.9641 1.9641 2.8569 2.8569 3.1656 3.1656 6.8903 6.8903 7.3438 7.3438 8.1310 8.1310 8.4791 8.4791 11.2233 11.2233 11.3824 11.3824 11.9373 11.9373 12.3407 12.3407 k = 0.0000 0.5033 0.2356 ( 3002 PWs) bands (ev): -2.7706 -2.7706 -2.4487 -2.4487 1.2274 1.2274 1.3818 1.3818 1.4041 1.4041 1.4975 1.4975 1.5716 1.5716 1.7304 1.7304 1.8216 1.8216 1.8782 1.8782 1.8930 1.8930 1.9612 1.9612 2.8186 2.8186 3.0771 3.0771 6.9624 6.9624 7.3747 7.3747 8.1892 8.1892 8.5590 8.5590 11.2403 11.2403 11.4097 11.4097 11.9261 11.9261 12.3788 12.3788 k = 0.0000 0.5033 0.2487 ( 3000 PWs) bands (ev): -2.7492 -2.7492 -2.4449 -2.4449 1.2154 1.2154 1.3815 1.3815 1.4046 1.4046 1.4950 1.4950 1.5713 1.5713 1.7203 1.7203 1.8236 1.8236 1.8801 1.8801 1.8931 1.8931 1.9579 1.9579 2.7823 2.7823 2.9955 2.9955 7.0303 7.0303 7.4060 7.4060 8.2345 8.2345 8.6437 8.6437 11.2326 11.2326 11.4223 11.4223 11.9574 11.9574 12.4381 12.4381 k = 0.0000 0.5033 0.2618 ( 2998 PWs) bands (ev): -2.7275 -2.7275 -2.4422 -2.4422 1.2052 1.2052 1.3807 1.3807 1.4051 1.4051 1.4916 1.4916 1.5714 1.5714 1.7097 1.7097 1.8260 1.8260 1.8817 1.8817 1.8933 1.8933 1.9544 1.9544 2.7483 2.7483 2.9209 2.9209 7.0937 7.0937 7.4372 7.4372 8.2732 8.2732 8.7258 8.7258 11.2051 11.2051 11.4218 11.4218 12.0263 12.0263 12.5152 12.5152 k = 0.0000 0.5033 0.2749 ( 3004 PWs) bands (ev): -2.7056 -2.7056 -2.4407 -2.4407 1.1969 1.1969 1.3790 1.3790 1.4056 1.4056 1.4870 1.4870 1.5718 1.5718 1.6986 1.6986 1.8288 1.8288 1.8829 1.8829 1.8937 1.8937 1.9506 1.9506 2.7165 2.7165 2.8537 2.8537 7.1524 7.1524 7.4672 7.4672 8.3099 8.3099 8.8003 8.8003 11.1673 11.1673 11.4116 11.4116 12.1225 12.1225 12.6043 12.6043 k = 0.0000 0.5033 0.2880 ( 2998 PWs) bands (ev): -2.6837 -2.6837 -2.4405 -2.4405 1.1910 1.1910 1.3764 1.3764 1.4061 1.4061 1.4810 1.4810 1.5728 1.5728 1.6873 1.6873 1.8320 1.8320 1.8836 1.8836 1.8945 1.8945 1.9466 1.9466 2.6871 2.6871 2.7939 2.7939 7.2063 7.2063 7.4949 7.4949 8.3475 8.3475 8.8635 8.8635 11.1274 11.1274 11.3944 11.3944 12.2358 12.2358 12.6953 12.6953 k = 0.0000 0.5033 0.3011 ( 2994 PWs) bands (ev): -2.6618 -2.6618 -2.4417 -2.4417 1.1877 1.1877 1.3722 1.3722 1.4068 1.4068 1.4738 1.4738 1.5744 1.5744 1.6762 1.6762 1.8355 1.8355 1.8836 1.8836 1.8957 1.8957 1.9425 1.9425 2.6603 2.6603 2.7416 2.7416 7.2556 7.2556 7.5191 7.5191 8.3879 8.3879 8.9132 8.9132 11.0914 11.0914 11.3723 11.3723 12.3566 12.3566 12.7697 12.7697 k = 0.0000 0.5033 0.3142 ( 2996 PWs) bands (ev): -2.6402 -2.6402 -2.4445 -2.4445 1.1872 1.1872 1.3660 1.3660 1.4076 1.4076 1.4655 1.4655 1.5767 1.5767 1.6654 1.6654 1.8392 1.8392 1.8830 1.8830 1.8972 1.8972 1.9384 1.9384 2.6362 2.6362 2.6967 2.6967 7.3008 7.3008 7.5387 7.5387 8.4320 8.4320 8.9480 8.9480 11.0630 11.0630 11.3466 11.3466 12.4736 12.4736 12.8042 12.8042 k = 0.0000 0.5033 0.3273 ( 2996 PWs) bands (ev): -2.6190 -2.6190 -2.4488 -2.4488 1.1895 1.1895 1.3574 1.3574 1.4087 1.4087 1.4569 1.4569 1.5796 1.5796 1.6552 1.6552 1.8432 1.8432 1.8819 1.8819 1.8990 1.8990 1.9343 1.9343 2.6148 2.6148 2.6588 2.6588 7.3421 7.3421 7.5529 7.5529 8.4801 8.4801 8.9673 8.9673 11.0442 11.0442 11.3180 11.3180 12.5713 12.5713 12.7992 12.7992 k = 0.0000 0.5033 0.3404 ( 2998 PWs) bands (ev): -2.5984 -2.5984 -2.4548 -2.4548 1.1948 1.1948 1.3460 1.3460 1.4100 1.4100 1.4485 1.4485 1.5831 1.5831 1.6457 1.6457 1.8473 1.8473 1.8804 1.8804 1.9010 1.9010 1.9303 1.9303 2.5963 2.5963 2.6278 2.6278 7.3800 7.3800 7.5612 7.5612 8.5320 8.5320 8.9714 8.9714 11.0358 11.0358 11.2871 11.2871 12.6351 12.6351 12.7755 12.7755 k = 0.0000 0.5033 0.3534 ( 2994 PWs) bands (ev): -2.5786 -2.5786 -2.4625 -2.4625 1.2030 1.2030 1.3319 1.3319 1.4116 1.4116 1.4410 1.4410 1.5872 1.5872 1.6369 1.6369 1.8514 1.8514 1.8785 1.8785 1.9031 1.9031 1.9264 1.9264 2.5811 2.5811 2.6030 2.6030 7.4147 7.4147 7.5637 7.5637 8.5870 8.5870 8.9612 8.9612 11.0375 11.0375 11.2546 11.2546 12.6653 12.6653 12.7477 12.7477 k = 0.0000 0.5033 0.3665 ( 3002 PWs) bands (ev): -2.5596 -2.5596 -2.4718 -2.4718 1.2139 1.2139 1.3153 1.3153 1.4135 1.4135 1.4346 1.4346 1.5917 1.5917 1.6288 1.6288 1.8555 1.8555 1.8761 1.8761 1.9053 1.9053 1.9227 1.9227 2.5693 2.5693 2.5840 2.5840 7.4462 7.4462 7.5605 7.5605 8.6440 8.6440 8.9382 8.9382 11.0484 11.0484 11.2210 11.2210 12.6748 12.6748 12.7224 12.7224 k = 0.0000 0.5033 0.3796 ( 3004 PWs) bands (ev): -2.5416 -2.5416 -2.4828 -2.4828 1.2274 1.2274 1.2973 1.2973 1.4157 1.4157 1.4293 1.4293 1.5968 1.5968 1.6214 1.6214 1.8595 1.8595 1.8734 1.8734 1.9077 1.9077 1.9193 1.9193 2.5612 2.5612 2.5703 2.5703 7.4745 7.4745 7.5520 7.5520 8.7016 8.7016 8.9043 8.9043 11.0671 11.0671 11.1869 11.1869 12.6761 12.6761 12.7022 12.7022 k = 0.0000 0.5033 0.3927 ( 3008 PWs) bands (ev): -2.5249 -2.5249 -2.4953 -2.4953 1.2430 1.2430 1.2787 1.2787 1.4183 1.4183 1.4250 1.4250 1.6023 1.6023 1.6145 1.6145 1.8634 1.8634 1.8704 1.8704 1.9103 1.9103 1.9161 1.9161 2.5571 2.5571 2.5614 2.5614 7.4996 7.4996 7.5387 7.5387 8.7583 8.7583 8.8616 8.8616 11.0919 11.0919 11.1532 11.1532 12.6764 12.6764 12.6880 12.6880 k = 0.0000 0.5033 0.4058 ( 3004 PWs) bands (ev): -2.5094 -2.5094 -2.5094 -2.5094 1.2603 1.2603 1.2603 1.2603 1.4214 1.4214 1.4214 1.4214 1.6082 1.6082 1.6082 1.6082 1.8671 1.8671 1.8671 1.8671 1.9131 1.9131 1.9131 1.9131 2.5571 2.5571 2.5571 2.5571 7.5211 7.5211 7.5211 7.5211 8.8122 8.8122 8.8122 8.8122 11.1211 11.1211 11.1211 11.1211 12.6797 12.6797 12.6797 12.6797 k = 0.0000 0.5033 0.4058 ( 3004 PWs) bands (ev): -2.5094 -2.5094 -2.5094 -2.5094 1.2603 1.2603 1.2603 1.2603 1.4214 1.4214 1.4214 1.4214 1.6082 1.6082 1.6082 1.6082 1.8671 1.8671 1.8671 1.8671 1.9131 1.9131 1.9131 1.9131 2.5571 2.5571 2.5571 2.5571 7.5211 7.5211 7.5211 7.5211 8.8122 8.8122 8.8122 8.8122 11.1211 11.1211 11.1211 11.1211 12.6797 12.6797 12.6797 12.6797 k = 0.0132 0.5033 0.4058 ( 3006 PWs) bands (ev): -2.5089 -2.5089 -2.5089 -2.5089 1.2597 1.2597 1.2621 1.2621 1.4196 1.4196 1.4234 1.4234 1.6084 1.6084 1.6085 1.6085 1.8665 1.8665 1.8676 1.8676 1.9123 1.9123 1.9142 1.9142 2.5575 2.5575 2.5582 2.5582 7.5000 7.5000 7.5149 7.5149 8.7940 8.7940 8.8300 8.8300 11.1087 11.1087 11.1417 11.1417 12.6795 12.6795 12.6878 12.6878 k = 0.0264 0.5033 0.4058 ( 3004 PWs) bands (ev): -2.5075 -2.5075 -2.5074 -2.5074 1.2601 1.2601 1.2651 1.2651 1.4181 1.4181 1.4259 1.4259 1.6092 1.6092 1.6094 1.6094 1.8661 1.8661 1.8682 1.8682 1.9118 1.9118 1.9156 1.9156 2.5594 2.5594 2.5609 2.5609 7.4536 7.4536 7.4815 7.4815 8.7759 8.7759 8.8446 8.8446 11.1059 11.1059 11.1695 11.1695 12.6878 12.6878 12.7033 12.7033 k = 0.0396 0.5033 0.4058 ( 3010 PWs) bands (ev): -2.5051 -2.5051 -2.5050 -2.5050 1.2617 1.2617 1.2692 1.2692 1.4169 1.4169 1.4285 1.4285 1.6106 1.6106 1.6108 1.6108 1.8657 1.8657 1.8688 1.8688 1.9117 1.9117 1.9173 1.9173 2.5628 2.5628 2.5650 2.5650 7.3852 7.3852 7.4230 7.4230 8.7563 8.7563 8.8519 8.8519 11.1143 11.1143 11.2040 11.2040 12.7053 12.7053 12.7259 12.7259 k = 0.0528 0.5033 0.4058 ( 3006 PWs) bands (ev): -2.5018 -2.5018 -2.5016 -2.5016 1.2643 1.2643 1.2743 1.2743 1.4161 1.4161 1.4315 1.4315 1.6127 1.6127 1.6127 1.6127 1.8654 1.8654 1.8694 1.8694 1.9119 1.9119 1.9194 1.9194 2.5678 2.5678 2.5707 2.5707 7.2988 7.2988 7.3431 7.3431 8.7324 8.7324 8.8480 8.8480 11.1355 11.1355 11.2450 11.2450 12.7326 12.7326 12.7554 12.7554 k = 0.0660 0.5033 0.4058 ( 3004 PWs) bands (ev): -2.4975 -2.4975 -2.4972 -2.4972 1.2679 1.2679 1.2805 1.2805 1.4157 1.4157 1.4349 1.4349 1.6150 1.6150 1.6154 1.6154 1.8653 1.8653 1.8700 1.8700 1.9124 1.9124 1.9218 1.9218 2.5744 2.5744 2.5780 2.5780 7.1979 7.1979 7.2459 7.2459 8.7011 8.7011 8.8296 8.8296 11.1699 11.1699 11.2923 11.2923 12.7703 12.7703 12.7921 12.7921 k = 0.0792 0.5033 0.4058 ( 3002 PWs) bands (ev): -2.4924 -2.4924 -2.4920 -2.4920 1.2723 1.2723 1.2876 1.2876 1.4157 1.4157 1.4386 1.4386 1.6178 1.6178 1.6188 1.6188 1.8653 1.8653 1.8706 1.8706 1.9133 1.9133 1.9245 1.9245 2.5827 2.5827 2.5869 2.5869 7.0859 7.0859 7.1352 7.1352 8.6597 8.6597 8.7948 8.7948 11.2173 11.2173 11.3454 11.3454 12.8188 12.8188 12.8363 12.8363 k = 0.0924 0.5033 0.4058 ( 3006 PWs) bands (ev): -2.4863 -2.4863 -2.4859 -2.4859 1.2774 1.2774 1.2955 1.2955 1.4162 1.4162 1.4426 1.4426 1.6210 1.6210 1.6228 1.6228 1.8654 1.8654 1.8713 1.8713 1.9145 1.9145 1.9276 1.9276 2.5927 2.5927 2.5976 2.5976 6.9655 6.9655 7.0144 7.0144 8.6070 8.6070 8.7433 8.7433 11.2762 11.2762 11.4034 11.4034 12.8785 12.8785 12.8886 12.8886 k = 0.1056 0.5033 0.4058 ( 3006 PWs) bands (ev): -2.4794 -2.4794 -2.4790 -2.4790 1.2832 1.2832 1.3040 1.3040 1.4172 1.4172 1.4470 1.4470 1.6245 1.6245 1.6276 1.6276 1.8656 1.8656 1.8720 1.8720 1.9160 1.9160 1.9311 1.9311 2.6045 2.6045 2.6100 2.6100 6.8388 6.8388 6.8862 6.8862 8.5422 8.5422 8.6758 8.6758 11.3443 11.3443 11.4650 11.4650 12.9497 12.9497 12.9498 12.9498 k = 0.1188 0.5033 0.4058 ( 3002 PWs) bands (ev): -2.4718 -2.4718 -2.4713 -2.4713 1.2894 1.2894 1.3129 1.3129 1.4190 1.4190 1.4519 1.4519 1.6284 1.6284 1.6329 1.6329 1.8661 1.8661 1.8728 1.8728 1.9178 1.9178 1.9349 1.9349 2.6183 2.6183 2.6243 2.6243 6.7076 6.7076 6.7528 6.7528 8.4658 8.4658 8.5940 8.5940 11.4187 11.4187 11.5288 11.5288 13.0203 13.0203 13.0324 13.0324 k = 0.1320 0.5033 0.4058 ( 3004 PWs) bands (ev): -2.4633 -2.4633 -2.4628 -2.4628 1.2960 1.2960 1.3220 1.3220 1.4216 1.4216 1.4572 1.4572 1.6326 1.6326 1.6390 1.6390 1.8667 1.8667 1.8737 1.8737 1.9199 1.9199 1.9392 1.9392 2.6340 2.6340 2.6406 2.6406 6.5734 6.5734 6.6160 6.6160 8.3787 8.3787 8.4997 8.4997 11.4964 11.4964 11.5931 11.5931 13.1006 13.1006 13.1262 13.1262 k = 0.1452 0.5033 0.4058 ( 3004 PWs) bands (ev): -2.4542 -2.4542 -2.4537 -2.4537 1.3027 1.3027 1.3309 1.3309 1.4252 1.4252 1.4629 1.4629 1.6371 1.6371 1.6456 1.6456 1.8676 1.8676 1.8747 1.8747 1.9224 1.9224 1.9439 1.9439 2.6519 2.6519 2.6590 2.6590 6.4373 6.4373 6.4770 6.4770 8.2819 8.2819 8.3950 8.3950 11.5748 11.5748 11.6566 11.6566 13.1906 13.1906 13.2304 13.2304 k = 0.1584 0.5033 0.4058 ( 3004 PWs) bands (ev): -2.4444 -2.4444 -2.4438 -2.4438 1.3095 1.3095 1.3394 1.3394 1.4300 1.4300 1.4692 1.4692 1.6418 1.6418 1.6529 1.6529 1.8686 1.8686 1.8759 1.8759 1.9252 1.9252 1.9492 1.9492 2.6719 2.6719 2.6796 2.6796 6.3003 6.3003 6.3369 6.3369 8.1769 8.1769 8.2817 8.2817 11.6517 11.6517 11.7182 11.7182 13.2897 13.2897 13.3435 13.3435 k = 0.1716 0.5033 0.4058 ( 2998 PWs) bands (ev): -2.4341 -2.4341 -2.4335 -2.4335 1.3162 1.3162 1.3472 1.3472 1.4362 1.4362 1.4760 1.4760 1.6467 1.6467 1.6606 1.6606 1.8698 1.8698 1.8774 1.8774 1.9284 1.9284 1.9549 1.9549 2.6944 2.6944 2.7025 2.7025 6.1632 6.1632 6.1968 6.1968 8.0649 8.0649 8.1615 8.1615 11.7255 11.7255 11.7771 11.7771 13.3967 13.3967 13.4635 13.4635 k = 0.1848 0.5033 0.4058 ( 2996 PWs) bands (ev): -2.4232 -2.4232 -2.4226 -2.4226 1.3226 1.3226 1.3540 1.3540 1.4438 1.4438 1.4833 1.4833 1.6518 1.6518 1.6688 1.6688 1.8712 1.8712 1.8790 1.8790 1.9320 1.9320 1.9613 1.9613 2.7193 2.7193 2.7278 2.7278 6.0267 6.0267 6.0572 6.0572 7.9472 7.9472 8.0360 8.0360 11.7951 11.7951 11.8330 11.8330 13.5098 13.5098 13.5877 13.5877 k = 0.1980 0.5033 0.4058 ( 2996 PWs) bands (ev): -2.4119 -2.4119 -2.4113 -2.4113 1.3288 1.3288 1.3598 1.3598 1.4528 1.4528 1.4911 1.4911 1.6569 1.6569 1.6773 1.6773 1.8728 1.8728 1.8808 1.8808 1.9360 1.9360 1.9682 1.9682 2.7468 2.7468 2.7558 2.7558 5.8913 5.8913 5.9187 5.9187 7.8249 7.8249 7.9063 7.9063 11.8601 11.8601 11.8858 11.8858 13.6265 13.6265 13.7132 13.7132 k = 0.2112 0.5033 0.4058 ( 2990 PWs) bands (ev): -2.4003 -2.4003 -2.3996 -2.3996 1.3346 1.3346 1.3645 1.3645 1.4629 1.4629 1.4992 1.4992 1.6622 1.6622 1.6860 1.6860 1.8745 1.8745 1.8830 1.8830 1.9406 1.9406 1.9757 1.9757 2.7770 2.7770 2.7865 2.7865 5.7576 5.7576 5.7820 5.7820 7.6990 7.6990 7.7735 7.7735 11.9204 11.9204 11.9354 11.9354 13.7442 13.7442 13.8367 13.8367 k = 0.2244 0.5033 0.4058 ( 2988 PWs) bands (ev): -2.3884 -2.3884 -2.3876 -2.3876 1.3399 1.3399 1.3685 1.3685 1.4740 1.4740 1.5078 1.5078 1.6675 1.6675 1.6947 1.6947 1.8764 1.8764 1.8854 1.8854 1.9457 1.9457 1.9839 1.9839 2.8100 2.8100 2.8200 2.8200 5.6260 5.6260 5.6475 5.6475 7.5703 7.5703 7.6385 7.6385 11.9761 11.9761 11.9822 11.9822 13.8600 13.8600 13.9551 13.9551 k = 0.2376 0.5033 0.4058 ( 2992 PWs) bands (ev): -2.3762 -2.3762 -2.3755 -2.3755 1.3447 1.3447 1.3716 1.3716 1.4857 1.4857 1.5165 1.5165 1.6727 1.6727 1.7034 1.7034 1.8784 1.8784 1.8880 1.8880 1.9515 1.9515 1.9928 1.9928 2.8460 2.8460 2.8565 2.8565 5.4969 5.4969 5.5155 5.5155 7.4397 7.4397 7.5020 7.5020 12.0262 12.0262 12.0275 12.0275 13.9716 13.9716 14.0663 14.0663 k = 0.2508 0.5033 0.4058 ( 2996 PWs) bands (ev): -2.3640 -2.3640 -2.3632 -2.3632 1.3492 1.3492 1.3742 1.3742 1.4978 1.4978 1.5255 1.5255 1.6780 1.6780 1.7118 1.7118 1.8804 1.8804 1.8909 1.8909 1.9581 1.9581 2.0023 2.0023 2.8851 2.8851 2.8962 2.8962 5.3707 5.3707 5.3864 5.3864 7.3079 7.3079 7.3648 7.3648 12.0676 12.0676 12.0751 12.0751 14.0774 14.0774 14.1692 14.1692 k = 0.2640 0.5033 0.4058 ( 3000 PWs) bands (ev): -2.3517 -2.3517 -2.3510 -2.3510 1.3532 1.3532 1.3764 1.3764 1.5100 1.5100 1.5345 1.5345 1.6832 1.6832 1.7199 1.7199 1.8826 1.8826 1.8939 1.8939 1.9656 1.9656 2.0125 2.0125 2.9272 2.9272 2.9390 2.9390 5.2477 5.2477 5.2605 5.2605 7.1754 7.1754 7.2274 7.2274 12.1067 12.1067 12.1190 12.1190 14.1768 14.1768 14.2640 14.2640 k = 0.2772 0.5033 0.4058 ( 2996 PWs) bands (ev): -2.3396 -2.3396 -2.3388 -2.3388 1.3568 1.3568 1.3782 1.3782 1.5221 1.5221 1.5435 1.5435 1.6884 1.6884 1.7275 1.7275 1.8849 1.8849 1.8971 1.8971 1.9741 1.9741 2.0233 2.0233 2.9726 2.9726 2.9851 2.9851 5.1283 5.1283 5.1382 5.1382 7.0427 7.0427 7.0902 7.0902 12.1435 12.1435 12.1596 12.1596 14.2697 14.2697 14.3516 14.3516 k = 0.2904 0.5033 0.4058 ( 2996 PWs) bands (ev): -2.3276 -2.3276 -2.3268 -2.3268 1.3600 1.3600 1.3798 1.3798 1.5339 1.5339 1.5524 1.5524 1.6935 1.6935 1.7344 1.7344 1.8872 1.8872 1.9003 1.9003 1.9836 1.9836 2.0347 2.0347 3.0212 3.0212 3.0345 3.0345 5.0129 5.0129 5.0198 5.0198 6.9104 6.9104 6.9537 6.9537 12.1781 12.1781 12.1972 12.1972 14.3569 14.3569 14.4333 14.4333 k = 0.3036 0.5033 0.4058 ( 2996 PWs) bands (ev): -2.3158 -2.3158 -2.3151 -2.3151 1.3629 1.3629 1.3811 1.3811 1.5453 1.5453 1.5611 1.5611 1.6985 1.6985 1.7407 1.7407 1.8895 1.8895 1.9034 1.9034 1.9942 1.9942 2.0466 2.0466 3.0731 3.0731 3.0874 3.0874 4.9016 4.9016 4.9056 4.9056 6.7787 6.7787 6.8183 6.8183 12.2106 12.2106 12.2318 12.2318 14.4391 14.4391 14.5103 14.5103 k = 0.3168 0.5033 0.4058 ( 3002 PWs) bands (ev): -2.3045 -2.3045 -2.3037 -2.3037 1.3655 1.3655 1.3822 1.3822 1.5561 1.5561 1.5696 1.5696 1.7035 1.7035 1.7462 1.7462 1.8918 1.8918 1.9064 1.9064 2.0058 2.0058 2.0590 2.0590 3.1281 3.1281 3.1437 3.1437 4.7950 4.7950 4.7958 4.7958 6.6483 6.6483 6.6843 6.6843 12.2410 12.2410 12.2637 12.2637 14.5173 14.5173 14.5835 14.5835 k = 0.3300 0.5033 0.4058 ( 3002 PWs) bands (ev): -2.2936 -2.2936 -2.2929 -2.2929 1.3678 1.3678 1.3832 1.3832 1.5663 1.5663 1.5777 1.5777 1.7083 1.7083 1.7511 1.7511 1.8942 1.8942 1.9093 1.9093 2.0184 2.0184 2.0717 2.0717 3.1864 3.1864 3.2033 3.2033 4.6908 4.6908 4.6933 4.6933 6.5192 6.5192 6.5520 6.5520 12.2692 12.2692 12.2928 12.2928 14.5921 14.5921 14.6539 14.6539 k = 0.3432 0.5033 0.4058 ( 2996 PWs) bands (ev): -2.2833 -2.2833 -2.2826 -2.2826 1.3699 1.3699 1.3840 1.3840 1.5757 1.5757 1.5854 1.5854 1.7131 1.7131 1.7552 1.7552 1.8965 1.8965 1.9119 1.9119 2.0318 2.0318 2.0847 2.0847 3.2476 3.2476 3.2664 3.2664 4.5910 4.5910 4.5970 4.5970 6.3920 6.3920 6.4217 6.4217 12.2950 12.2950 12.3191 12.3191 14.6641 14.6641 14.7218 14.7218 k = 0.3564 0.5033 0.4058 ( 2994 PWs) bands (ev): -2.2736 -2.2736 -2.2729 -2.2729 1.3717 1.3717 1.3847 1.3847 1.5844 1.5844 1.5927 1.5927 1.7178 1.7178 1.7587 1.7587 1.8988 1.8988 1.9143 1.9143 2.0457 2.0457 2.0977 2.0977 3.3118 3.3118 3.3327 3.3327 4.4966 4.4966 4.5064 4.5064 6.2669 6.2669 6.2938 6.2938 12.3185 12.3185 12.3426 12.3426 14.7337 14.7337 14.7878 14.7878 k = 0.3696 0.5033 0.4058 ( 2994 PWs) bands (ev): -2.2647 -2.2647 -2.2640 -2.2640 1.3734 1.3734 1.3853 1.3853 1.5923 1.5923 1.5994 1.5994 1.7223 1.7223 1.7616 1.7616 1.9011 1.9011 1.9165 1.9165 2.0600 2.0600 2.1105 2.1105 3.3785 3.3785 3.4022 3.4022 4.4080 4.4080 4.4223 4.4223 6.1442 6.1442 6.1684 6.1684 12.3395 12.3395 12.3633 12.3633 14.8011 14.8011 14.8518 14.8518 k = 0.3828 0.5033 0.4058 ( 3004 PWs) bands (ev): -2.2566 -2.2566 -2.2560 -2.2560 1.3748 1.3748 1.3857 1.3857 1.5993 1.5993 1.6056 1.6056 1.7266 1.7266 1.7639 1.7639 1.9032 1.9032 1.9183 1.9183 2.0742 2.0742 2.1229 2.1229 3.4474 3.4474 3.4746 3.4746 4.3258 4.3258 4.3452 4.3452 6.0242 6.0242 6.0460 6.0460 12.3578 12.3578 12.3809 12.3809 14.8664 14.8664 14.9138 14.9138 k = 0.3960 0.5033 0.4058 ( 3004 PWs) bands (ev): -2.2495 -2.2495 -2.2489 -2.2489 1.3761 1.3761 1.3861 1.3861 1.6056 1.6056 1.6113 1.6113 1.7308 1.7308 1.7657 1.7657 1.9053 1.9053 1.9200 1.9200 2.0882 2.0882 2.1348 2.1348 3.5175 3.5175 3.5494 3.5494 4.2506 4.2506 4.2761 4.2761 5.9073 5.9073 5.9268 5.9268 12.3733 12.3733 12.3954 12.3954 14.9295 14.9295 14.9738 14.9738 k = 0.4092 0.5033 0.4058 ( 3006 PWs) bands (ev): -2.2433 -2.2433 -2.2428 -2.2428 1.3772 1.3772 1.3864 1.3864 1.6110 1.6110 1.6163 1.6163 1.7348 1.7348 1.7670 1.7670 1.9073 1.9073 1.9213 1.9213 2.1017 2.1017 2.1457 2.1457 3.5877 3.5877 3.6258 3.6258 4.1833 4.1833 4.2165 4.2165 5.7939 5.7939 5.8111 5.8111 12.3858 12.3858 12.4067 12.4067 14.9902 14.9902 15.0314 15.0314 k = 0.4224 0.5033 0.4058 ( 3006 PWs) bands (ev): -2.2382 -2.2382 -2.2377 -2.2377 1.3783 1.3783 1.3866 1.3866 1.6156 1.6156 1.6207 1.6207 1.7385 1.7385 1.7679 1.7679 1.9091 1.9091 1.9224 1.9224 2.1141 2.1141 2.1554 2.1554 3.6554 3.6554 3.7021 3.7021 4.1260 4.1260 4.1690 4.1690 5.6843 5.6843 5.6994 5.6994 12.3952 12.3952 12.4147 12.4147 15.0483 15.0483 15.0863 15.0863 k = 0.4356 0.5033 0.4058 ( 2998 PWs) bands (ev): -2.2342 -2.2342 -2.2338 -2.2338 1.3792 1.3792 1.3867 1.3867 1.6194 1.6194 1.6245 1.6245 1.7420 1.7420 1.7684 1.7684 1.9109 1.9109 1.9232 1.9232 2.1254 2.1254 2.1637 2.1637 3.7163 3.7163 3.7738 3.7738 4.0829 4.0829 4.1380 4.1380 5.5791 5.5791 5.5921 5.5921 12.4014 12.4014 12.4193 12.4193 15.1033 15.1033 15.1380 15.1380 k = 0.4488 0.5033 0.4058 ( 2994 PWs) bands (ev): -2.2314 -2.2314 -2.2310 -2.2310 1.3800 1.3800 1.3867 1.3867 1.6225 1.6225 1.6276 1.6276 1.7452 1.7452 1.7685 1.7685 1.9125 1.9125 1.9237 1.9237 2.1351 2.1351 2.1702 2.1702 3.7633 3.7633 3.8296 3.8296 4.0653 4.0653 4.1304 4.1304 5.4787 5.4787 5.4897 5.4897 12.4042 12.4042 12.4203 12.4203 15.1547 15.1547 15.1861 15.1861 k = 0.4488 0.5033 0.4058 ( 2994 PWs) bands (ev): -2.2314 -2.2314 -2.2310 -2.2310 1.3800 1.3800 1.3867 1.3867 1.6225 1.6225 1.6276 1.6276 1.7452 1.7452 1.7685 1.7685 1.9125 1.9125 1.9237 1.9237 2.1351 2.1351 2.1702 2.1702 3.7633 3.7633 3.8296 3.8296 4.0653 4.0653 4.1304 4.1304 5.4787 5.4787 5.4897 5.4897 12.4042 12.4042 12.4203 12.4203 15.1547 15.1547 15.1861 15.1861 k = 0.4402 0.4936 0.4058 ( 2998 PWs) bands (ev): -2.2350 -2.2350 -2.2345 -2.2345 1.3788 1.3788 1.3867 1.3867 1.6182 1.6182 1.6230 1.6230 1.7405 1.7405 1.7685 1.7685 1.9102 1.9102 1.9230 1.9230 2.1215 2.1215 2.1612 2.1612 3.7057 3.7057 3.7651 3.7651 4.0702 4.0702 4.1267 4.1267 5.6260 5.6260 5.6399 5.6399 12.4024 12.4024 12.4211 12.4211 15.0798 15.0798 15.1163 15.1163 k = 0.4316 0.4839 0.4058 ( 2996 PWs) bands (ev): -2.2394 -2.2394 -2.2388 -2.2388 1.3776 1.3776 1.3866 1.3866 1.6134 1.6134 1.6175 1.6175 1.7352 1.7352 1.7683 1.7683 1.9077 1.9077 1.9220 1.9220 2.1068 2.1068 2.1505 2.1505 3.6461 3.6461 3.6992 3.6992 4.0846 4.0846 4.1328 4.1328 5.7786 5.7786 5.7953 5.7953 12.4000 12.4000 12.4213 12.4213 15.0025 15.0025 15.0440 15.0440 k = 0.4229 0.4742 0.4058 ( 3000 PWs) bands (ev): -2.2445 -2.2445 -2.2438 -2.2438 1.3762 1.3762 1.3864 1.3864 1.6081 1.6081 1.6108 1.6108 1.7293 1.7293 1.7679 1.7679 1.9051 1.9051 1.9208 1.9208 2.0912 2.0912 2.1384 2.1384 3.5878 3.5878 3.6361 3.6361 4.1049 4.1049 4.1461 4.1461 5.9358 5.9358 5.9553 5.9553 12.3969 12.3969 12.4206 12.4206 14.9245 14.9245 14.9712 14.9712 k = 0.4143 0.4646 0.4058 ( 3004 PWs) bands (ev): -2.2505 -2.2505 -2.2498 -2.2498 1.3747 1.3747 1.3861 1.3861 1.6024 1.6024 1.6031 1.6031 1.7228 1.7228 1.7674 1.7674 1.9024 1.9024 1.9193 1.9193 2.0750 2.0750 2.1249 2.1249 3.5329 3.5329 3.5779 3.5779 4.1295 4.1295 4.1649 4.1649 6.0968 6.0968 6.1192 6.1192 12.3929 12.3929 12.4190 12.4190 14.8473 14.8473 14.8991 14.8991 k = 0.4057 0.4549 0.4058 ( 3004 PWs) bands (ev): -2.2574 -2.2574 -2.2567 -2.2567 1.3730 1.3730 1.3856 1.3856 1.5942 1.5942 1.5961 1.5961 1.7156 1.7156 1.7667 1.7667 1.8995 1.8995 1.9175 1.9175 2.0586 2.0586 2.1105 2.1105 3.4824 3.4824 3.5253 3.5253 4.1577 4.1577 4.1881 4.1881 6.2610 6.2610 6.2864 6.2864 12.3878 12.3878 12.4161 12.4161 14.7720 14.7720 14.8289 14.8289 k = 0.3970 0.4452 0.4058 ( 3006 PWs) bands (ev): -2.2654 -2.2654 -2.2646 -2.2646 1.3712 1.3712 1.3851 1.3851 1.5841 1.5841 1.5895 1.5895 1.7077 1.7077 1.7658 1.7658 1.8965 1.8965 1.9154 1.9154 2.0423 2.0423 2.0956 2.0956 3.4369 3.4369 3.4787 3.4787 4.1890 4.1890 4.2152 4.2152 6.4280 6.4280 6.4565 6.4565 12.3815 12.3815 12.4117 12.4117 14.6995 14.6995 14.7617 14.7617 k = 0.3884 0.4355 0.4058 ( 2998 PWs) bands (ev): -2.2745 -2.2745 -2.2736 -2.2736 1.3692 1.3692 1.3844 1.3844 1.5730 1.5730 1.5823 1.5823 1.6994 1.6994 1.7650 1.7650 1.8934 1.8934 1.9130 1.9130 2.0266 2.0266 2.0805 2.0805 3.3966 3.3966 3.4382 3.4382 4.2233 4.2233 4.2457 4.2457 6.5973 6.5973 6.6289 6.6289 12.3739 12.3739 12.4057 12.4057 14.6307 14.6307 14.6982 14.6982 k = 0.3798 0.4259 0.4058 ( 2998 PWs) bands (ev): -2.2847 -2.2847 -2.2838 -2.2838 1.3669 1.3669 1.3836 1.3836 1.5609 1.5609 1.5747 1.5747 1.6906 1.6906 1.7641 1.7641 1.8901 1.8901 1.9102 1.9102 2.0118 2.0118 2.0657 2.0657 3.3618 3.3618 3.4035 3.4035 4.2605 4.2605 4.2794 4.2794 6.7682 6.7682 6.8033 6.8033 12.3650 12.3650 12.3980 12.3980 14.5660 14.5660 14.6390 14.6390 k = 0.3712 0.4162 0.4058 ( 2990 PWs) bands (ev): -2.2962 -2.2962 -2.2952 -2.2952 1.3644 1.3644 1.3826 1.3826 1.5481 1.5481 1.5667 1.5667 1.6815 1.6815 1.7633 1.7633 1.8867 1.8867 1.9071 1.9071 1.9982 1.9982 2.0515 2.0515 3.3321 3.3321 3.3745 3.3745 4.3003 4.3003 4.3159 4.3159 6.9405 6.9405 6.9791 6.9791 12.3546 12.3546 12.3885 12.3885 14.5059 14.5059 14.5844 14.5844 k = 0.3625 0.4065 0.4058 ( 2994 PWs) bands (ev): -2.3091 -2.3091 -2.3080 -2.3080 1.3616 1.3616 1.3815 1.3815 1.5346 1.5346 1.5583 1.5583 1.6723 1.6723 1.7626 1.7626 1.8833 1.8833 1.9036 1.9036 1.9860 1.9860 2.0381 2.0381 3.3076 3.3076 3.3509 3.3509 4.3427 4.3427 4.3553 4.3553 7.1133 7.1133 7.1558 7.1558 12.3431 12.3431 12.3772 12.3772 14.4505 14.4505 14.5349 14.5349 k = 0.3539 0.3968 0.4058 ( 3002 PWs) bands (ev): -2.3232 -2.3232 -2.3221 -2.3221 1.3584 1.3584 1.3803 1.3803 1.5210 1.5210 1.5497 1.5497 1.6631 1.6631 1.7621 1.7621 1.8797 1.8797 1.8996 1.8996 1.9753 1.9753 2.0258 2.0258 3.2879 3.2879 3.3324 3.3324 4.3877 4.3877 4.3972 4.3972 7.2862 7.2862 7.3329 7.3329 12.3307 12.3307 12.3644 12.3644 14.4000 14.4000 14.4904 14.4904 k = 0.3453 0.3871 0.4058 ( 3002 PWs) bands (ev): -2.3388 -2.3388 -2.3377 -2.3377 1.3549 1.3549 1.3789 1.3789 1.5075 1.5075 1.5409 1.5409 1.6542 1.6542 1.7619 1.7619 1.8762 1.8762 1.8954 1.8954 1.9662 1.9662 2.0147 2.0147 3.2729 3.2729 3.3186 3.3186 4.4351 4.4351 4.4416 4.4416 7.4584 7.4584 7.5096 7.5096 12.3177 12.3177 12.3503 12.3503 14.3541 14.3541 14.4510 14.4510 k = 0.3366 0.3775 0.4058 ( 3002 PWs) bands (ev): -2.3558 -2.3558 -2.3546 -2.3546 1.3510 1.3510 1.3775 1.3775 1.4944 1.4944 1.5323 1.5323 1.6458 1.6458 1.7619 1.7619 1.8727 1.8727 1.8909 1.8909 1.9585 1.9585 2.0049 2.0049 3.2622 3.2622 3.3093 3.3093 4.4849 4.4849 4.4884 4.4884 7.6292 7.6292 7.6853 7.6853 12.3047 12.3047 12.3356 12.3356 14.3124 14.3124 14.4163 14.4163 k = 0.3280 0.3678 0.4058 ( 3014 PWs) bands (ev): -2.3743 -2.3743 -2.3730 -2.3730 1.3468 1.3468 1.3760 1.3760 1.4822 1.4822 1.5239 1.5239 1.6378 1.6378 1.7623 1.7623 1.8692 1.8692 1.8863 1.8863 1.9522 1.9522 1.9963 1.9963 3.2558 3.2558 3.3042 3.3042 4.5370 4.5370 4.5375 4.5375 7.7975 7.7975 7.8590 7.8590 12.2926 12.2926 12.3208 12.3208 14.2740 14.2740 14.3859 14.3859 k = 0.3194 0.3581 0.4058 ( 3016 PWs) bands (ev): -2.3942 -2.3942 -2.3929 -2.3929 1.3423 1.3423 1.3746 1.3746 1.4711 1.4711 1.5161 1.5161 1.6304 1.6304 1.7631 1.7631 1.8658 1.8658 1.8816 1.8816 1.9470 1.9470 1.9888 1.9888 3.2534 3.2534 3.3031 3.3031 4.5888 4.5888 4.5913 4.5913 7.9624 7.9624 8.0298 8.0298 12.2822 12.2822 12.3070 12.3070 14.2378 14.2378 14.3593 14.3593 k = 0.3107 0.3484 0.4058 ( 3012 PWs) bands (ev): -2.4154 -2.4154 -2.4141 -2.4141 1.3376 1.3376 1.3732 1.3732 1.4612 1.4612 1.5090 1.5090 1.6237 1.6237 1.7643 1.7643 1.8625 1.8625 1.8770 1.8770 1.9428 1.9428 1.9823 1.9823 3.2548 3.2548 3.3057 3.3057 4.6422 4.6422 4.6477 4.6477 8.1226 8.1226 8.1964 8.1964 12.2748 12.2748 12.2952 12.2952 14.2022 14.2022 14.3353 14.3353 k = 0.3021 0.3387 0.4058 ( 3008 PWs) bands (ev): -2.4381 -2.4381 -2.4367 -2.4367 1.3329 1.3329 1.3720 1.3720 1.4526 1.4526 1.5029 1.5029 1.6176 1.6176 1.7660 1.7660 1.8594 1.8594 1.8726 1.8726 1.9393 1.9393 1.9769 1.9769 3.2600 3.2600 3.3120 3.3120 4.6976 4.6976 4.7062 4.7062 8.2767 8.2767 8.3576 8.3576 12.2717 12.2717 12.2869 12.2869 14.1648 14.1648 14.3127 14.3127 k = 0.2935 0.3291 0.4058 ( 3012 PWs) bands (ev): -2.4620 -2.4620 -2.4607 -2.4607 1.3285 1.3285 1.3711 1.3711 1.4453 1.4453 1.4978 1.4978 1.6120 1.6120 1.7680 1.7680 1.8565 1.8565 1.8684 1.8684 1.9364 1.9364 1.9722 1.9722 3.2689 3.2689 3.3218 3.3218 4.7548 4.7548 4.7667 4.7667 8.4232 8.4232 8.5117 8.5117 12.2744 12.2744 12.2835 12.2835 14.1220 14.1220 14.2894 14.2894 k = 0.2848 0.3194 0.4058 ( 3006 PWs) bands (ev): -2.4871 -2.4871 -2.4858 -2.4858 1.3245 1.3245 1.3706 1.3706 1.4392 1.4392 1.4937 1.4937 1.6072 1.6072 1.7706 1.7706 1.8538 1.8538 1.8643 1.8643 1.9340 1.9340 1.9683 1.9683 3.2814 3.2814 3.3350 3.3350 4.8139 4.8139 4.8291 4.8291 8.5603 8.5603 8.6569 8.6569 12.2848 12.2848 12.2870 12.2870 14.0688 14.0688 14.2614 14.2614 k = 0.2762 0.3097 0.4058 ( 3002 PWs) bands (ev): -2.5134 -2.5134 -2.5121 -2.5121 1.3211 1.3211 1.3706 1.3706 1.4342 1.4342 1.4908 1.4908 1.6029 1.6029 1.7735 1.7735 1.8513 1.8513 1.8606 1.8606 1.9320 1.9320 1.9649 1.9649 3.2976 3.2976 3.3516 3.3516 4.8746 4.8746 4.8933 4.8933 8.6862 8.6862 8.7914 8.7914 12.2991 12.2991 12.3045 12.3045 13.9987 13.9987 14.2195 14.2195 k = 0.2676 0.3000 0.4058 ( 3010 PWs) bands (ev): -2.5407 -2.5407 -2.5393 -2.5393 1.3185 1.3185 1.3709 1.3709 1.4300 1.4300 1.4889 1.4889 1.5991 1.5991 1.7769 1.7769 1.8490 1.8490 1.8570 1.8570 1.9303 1.9303 1.9621 1.9621 3.3174 3.3174 3.3716 3.3716 4.9370 4.9370 4.9592 4.9592 8.7989 8.7989 8.9130 8.9130 12.3218 12.3218 12.3355 12.3355 13.9056 13.9056 14.1420 14.1420 k = 0.2589 0.2904 0.4058 ( 2998 PWs) bands (ev): -2.5689 -2.5689 -2.5675 -2.5675 1.3168 1.3168 1.3718 1.3718 1.4266 1.4266 1.4881 1.4881 1.5961 1.5961 1.7806 1.7806 1.8470 1.8470 1.8538 1.8538 1.9290 1.9290 1.9599 1.9599 3.3408 3.3408 3.3950 3.3950 5.0007 5.0007 5.0266 5.0266 8.8966 8.8966 9.0198 9.0198 12.3571 12.3571 12.3795 12.3795 13.7883 13.7883 14.0103 14.0103 k = 0.2503 0.2807 0.4058 ( 2998 PWs) bands (ev): -2.5978 -2.5978 -2.5965 -2.5965 1.3160 1.3160 1.3730 1.3730 1.4239 1.4239 1.4882 1.4882 1.5936 1.5936 1.7845 1.7845 1.8452 1.8452 1.8508 1.8508 1.9278 1.9278 1.9580 1.9580 3.3679 3.3679 3.4218 3.4218 5.0658 5.0658 5.0956 5.0956 8.9777 8.9777 9.1096 9.1096 12.4065 12.4065 12.4378 12.4378 13.6514 13.6514 13.8442 13.8442 k = 0.2417 0.2710 0.4058 ( 2998 PWs) bands (ev): -2.6274 -2.6274 -2.6261 -2.6261 1.3162 1.3162 1.3747 1.3747 1.4217 1.4217 1.4892 1.4892 1.5918 1.5918 1.7886 1.7886 1.8436 1.8436 1.8482 1.8482 1.9269 1.9269 1.9564 1.9564 3.3989 3.3989 3.4522 3.4522 5.1321 5.1321 5.1660 5.1660 9.0408 9.0408 9.1811 9.1811 12.4710 12.4710 12.5116 12.5116 13.5027 13.5027 13.6673 13.6673 k = 0.2330 0.2613 0.4058 ( 3008 PWs) bands (ev): -2.6575 -2.6575 -2.6562 -2.6562 1.3173 1.3173 1.3766 1.3766 1.4199 1.4199 1.4908 1.4908 1.5908 1.5908 1.7927 1.7927 1.8422 1.8422 1.8459 1.8459 1.9261 1.9261 1.9551 1.9551 3.4337 3.4337 3.4861 3.4861 5.1994 5.1994 5.2376 5.2376 9.0852 9.0852 9.2331 9.2331 12.5506 12.5506 12.6014 12.6014 13.3494 13.3494 13.4895 13.4895 k = 0.2244 0.2516 0.4058 ( 3008 PWs) bands (ev): -2.6879 -2.6879 -2.6866 -2.6866 1.3192 1.3192 1.3787 1.3787 1.4185 1.4185 1.4930 1.4930 1.5906 1.5906 1.7966 1.7966 1.8411 1.8411 1.8442 1.8442 1.9255 1.9255 1.9542 1.9542 3.4724 3.4724 3.5237 3.5237 5.2676 5.2676 5.3104 5.3104 9.1105 9.1105 9.2652 9.2652 12.6433 12.6433 12.7069 12.7069 13.1981 13.1981 13.3149 13.3149 k = 0.2158 0.2420 0.4058 ( 3008 PWs) bands (ev): -2.7185 -2.7185 -2.7173 -2.7173 1.3220 1.3220 1.3808 1.3808 1.4175 1.4175 1.4955 1.4955 1.5913 1.5913 1.8002 1.8002 1.8402 1.8402 1.8431 1.8431 1.9251 1.9251 1.9534 1.9534 3.5152 3.5152 3.5650 3.5650 5.3365 5.3365 5.3842 5.3842 9.1170 9.1170 9.2775 9.2775 12.7398 12.7398 12.8273 12.8273 13.0601 13.0601 13.1453 13.1453 k = 0.2072 0.2323 0.4058 ( 3016 PWs) bands (ev): -2.7492 -2.7492 -2.7479 -2.7479 1.3254 1.3254 1.3830 1.3830 1.4168 1.4168 1.4980 1.4980 1.5931 1.5931 1.8031 1.8031 1.8395 1.8395 1.8428 1.8428 1.9248 1.9248 1.9529 1.9529 3.5620 3.5620 3.6101 3.6101 5.4060 5.4060 5.4588 5.4588 9.1055 9.1055 9.2708 9.2708 12.7824 12.7824 12.9569 12.9569 12.9866 12.9866 12.9934 12.9934 k = 0.1985 0.2226 0.4058 ( 3024 PWs) bands (ev): -2.7797 -2.7797 -2.7785 -2.7785 1.3293 1.3293 1.3852 1.3852 1.4163 1.4163 1.5004 1.5004 1.5959 1.5959 1.8050 1.8050 1.8390 1.8390 1.8436 1.8436 1.9246 1.9246 1.9525 1.9525 3.6129 3.6129 3.6590 3.6590 5.4758 5.4758 5.5342 5.5342 9.0768 9.0768 9.2461 9.2461 12.6921 12.6921 12.8245 12.8245 13.0757 13.0757 13.1085 13.1085 k = 0.1899 0.2129 0.4058 ( 3024 PWs) bands (ev): -2.8100 -2.8100 -2.8089 -2.8089 1.3338 1.3338 1.3873 1.3873 1.4161 1.4161 1.5025 1.5025 1.5999 1.5999 1.8060 1.8060 1.8388 1.8388 1.8454 1.8454 1.9246 1.9246 1.9523 1.9523 3.6681 3.6681 3.7118 3.7118 5.5457 5.5457 5.6101 5.6101 9.0323 9.0323 9.2049 9.2049 12.5648 12.5648 12.6757 12.6757 13.2071 13.2071 13.2632 13.2632 k = 0.1813 0.2032 0.4058 ( 3024 PWs) bands (ev): -2.8399 -2.8399 -2.8388 -2.8388 1.3386 1.3386 1.3893 1.3893 1.4161 1.4161 1.5041 1.5041 1.6050 1.6050 1.8059 1.8059 1.8388 1.8388 1.8481 1.8481 1.9247 1.9247 1.9522 1.9522 3.7274 3.7274 3.7685 3.7685 5.6155 5.6155 5.6863 5.6863 8.9733 8.9733 9.1488 9.1488 12.4364 12.4364 12.5348 12.5348 13.3442 13.3442 13.4224 13.4224 k = 0.1726 0.1936 0.4058 ( 3018 PWs) bands (ev): -2.8693 -2.8693 -2.8682 -2.8682 1.3437 1.3437 1.3912 1.3912 1.4163 1.4163 1.5053 1.5053 1.6111 1.6111 1.8051 1.8051 1.8390 1.8390 1.8515 1.8515 1.9249 1.9249 1.9522 1.9522 3.7910 3.7910 3.8292 3.8292 5.6850 5.6850 5.7627 5.7627 8.9012 8.9012 9.0793 9.0793 12.3130 12.3130 12.4020 12.4020 13.4651 13.4651 13.5755 13.5755 k = 0.1640 0.1839 0.4058 ( 3024 PWs) bands (ev): -2.8980 -2.8980 -2.8970 -2.8970 1.3490 1.3490 1.3930 1.3930 1.4166 1.4166 1.5058 1.5058 1.6180 1.6180 1.8036 1.8036 1.8393 1.8393 1.8552 1.8552 1.9252 1.9252 1.9523 1.9523 3.8587 3.8587 3.8937 3.8937 5.7538 5.7538 5.8391 5.8391 8.8174 8.8174 8.9979 8.9979 12.1964 12.1964 12.2776 12.2776 13.5416 13.5416 13.6847 13.6847 k = 0.1554 0.1742 0.4058 ( 3022 PWs) bands (ev): -2.9260 -2.9260 -2.9250 -2.9250 1.3543 1.3543 1.3946 1.3946 1.4172 1.4172 1.5059 1.5059 1.6255 1.6255 1.8017 1.8017 1.8400 1.8400 1.8591 1.8591 1.9257 1.9257 1.9524 1.9524 3.9305 3.9305 3.9621 3.9621 5.8217 5.8217 5.9153 5.9153 8.7232 8.7232 8.9063 8.9063 12.0871 12.0871 12.1616 12.1616 13.5582 13.5582 13.6908 13.6908 k = 0.1467 0.1645 0.4058 ( 3018 PWs) bands (ev): -2.9531 -2.9531 -2.9522 -2.9522 1.3597 1.3597 1.3961 1.3961 1.4179 1.4179 1.5055 1.5055 1.6334 1.6334 1.7995 1.7995 1.8408 1.8408 1.8629 1.8629 1.9263 1.9263 1.9526 1.9526 4.0064 4.0064 4.0343 4.0343 5.8883 5.8883 5.9909 5.9909 8.6199 8.6199 8.8059 8.8059 11.9855 11.9855 12.0538 12.0538 13.5312 13.5312 13.6400 13.6400 k = 0.1381 0.1549 0.4058 ( 3018 PWs) bands (ev): -2.9792 -2.9792 -2.9783 -2.9783 1.3650 1.3650 1.3976 1.3976 1.4189 1.4189 1.5048 1.5048 1.6416 1.6416 1.7971 1.7971 1.8418 1.8418 1.8665 1.8665 1.9270 1.9270 1.9528 1.9528 4.0862 4.0862 4.1101 4.1101 5.9533 5.9533 6.0658 6.0658 8.5087 8.5087 8.6981 8.6981 11.8915 11.8915 11.9542 11.9542 13.4814 13.4814 13.5728 13.5728 k = 0.1295 0.1452 0.4058 ( 3018 PWs) bands (ev): -3.0042 -3.0042 -3.0033 -3.0033 1.3701 1.3701 1.3989 1.3989 1.4200 1.4200 1.5037 1.5037 1.6498 1.6498 1.7946 1.7946 1.8429 1.8429 1.8698 1.8698 1.9278 1.9278 1.9530 1.9530 4.1696 4.1696 4.1894 4.1894 6.0163 6.0163 6.1398 6.1398 8.3908 8.3908 8.5842 8.5842 11.8051 11.8051 11.8626 11.8626 13.4200 13.4200 13.4991 13.4991 k = 0.1208 0.1355 0.4058 ( 3022 PWs) bands (ev): -3.0280 -3.0280 -3.0272 -3.0272 1.3750 1.3750 1.4001 1.4001 1.4214 1.4214 1.5023 1.5023 1.6580 1.6580 1.7919 1.7919 1.8443 1.8443 1.8727 1.8727 1.9288 1.9288 1.9532 1.9532 4.2566 4.2566 4.2720 4.2720 6.0768 6.0768 6.2125 6.2125 8.2673 8.2673 8.4657 8.4657 11.7261 11.7261 11.7787 11.7787 13.3525 13.3525 13.4223 13.4223 k = 0.1122 0.1258 0.4058 ( 3014 PWs) bands (ev): -3.0505 -3.0505 -3.0497 -3.0497 1.3797 1.3797 1.4012 1.4012 1.4230 1.4230 1.5007 1.5007 1.6661 1.6661 1.7891 1.7891 1.8458 1.8458 1.8752 1.8752 1.9299 1.9299 1.9533 1.9533 4.3468 4.3468 4.3576 4.3576 6.1344 6.1344 6.2836 6.2836 8.1394 8.1394 8.3438 8.3438 11.6542 11.6542 11.7022 11.7022 13.2820 13.2820 13.3443 13.3443 k = 0.1036 0.1161 0.4058 ( 3018 PWs) bands (ev): -3.0716 -3.0716 -3.0710 -3.0710 1.3840 1.3840 1.4022 1.4022 1.4249 1.4249 1.4988 1.4988 1.6739 1.6739 1.7862 1.7862 1.8475 1.8475 1.8773 1.8773 1.9311 1.9311 1.9534 1.9534 4.4398 4.4398 4.4458 4.4458 6.1887 6.1887 6.3529 6.3529 8.0081 8.0081 8.2199 8.2199 11.5891 11.5891 11.6327 11.6327 13.2105 13.2105 13.2663 13.2663 k = 0.0949 0.1065 0.4058 ( 3018 PWs) bands (ev): -3.0913 -3.0913 -3.0907 -3.0907 1.3879 1.3879 1.4032 1.4032 1.4271 1.4271 1.4967 1.4967 1.6815 1.6815 1.7832 1.7832 1.8493 1.8493 1.8789 1.8789 1.9324 1.9324 1.9534 1.9534 4.5352 4.5352 4.5363 4.5363 6.2390 6.2390 6.4201 6.4201 7.8745 7.8745 8.0951 8.0951 11.5306 11.5306 11.5701 11.5701 13.1396 13.1396 13.1895 13.1895 k = 0.0863 0.0968 0.4058 ( 3014 PWs) bands (ev): -3.1096 -3.1096 -3.1090 -3.1090 1.3913 1.3913 1.4040 1.4040 1.4297 1.4297 1.4945 1.4945 1.6887 1.6887 1.7802 1.7802 1.8513 1.8513 1.8800 1.8800 1.9338 1.9338 1.9534 1.9534 4.6285 4.6285 4.6325 4.6325 6.2850 6.2850 6.4849 6.4849 7.7396 7.7396 7.9709 7.9709 11.4784 11.4784 11.5139 11.5139 13.0706 13.0706 13.1152 13.1152 k = 0.0777 0.0871 0.4058 ( 3022 PWs) bands (ev): -3.1262 -3.1262 -3.1257 -3.1257 1.3943 1.3943 1.4047 1.4047 1.4325 1.4325 1.4921 1.4921 1.6956 1.6956 1.7770 1.7770 1.8533 1.8533 1.8808 1.8808 1.9353 1.9353 1.9532 1.9532 4.7218 4.7218 4.7309 4.7309 6.3260 6.3260 6.5470 6.5470 7.6047 7.6047 7.8487 7.8487 11.4322 11.4322 11.4639 11.4639 13.0047 13.0047 13.0443 13.0443 k = 0.0691 0.0774 0.4058 ( 3018 PWs) bands (ev): -3.1412 -3.1412 -3.1408 -3.1408 1.3969 1.3969 1.4053 1.4053 1.4356 1.4356 1.4896 1.4896 1.7022 1.7022 1.7738 1.7738 1.8555 1.8555 1.8811 1.8811 1.9368 1.9368 1.9530 1.9530 4.8152 4.8152 4.8294 4.8294 6.3618 6.3618 6.6060 6.6060 7.4709 7.4709 7.7298 7.7298 11.3918 11.3918 11.4197 11.4197 12.9430 12.9430 12.9777 12.9777 k = 0.0604 0.0677 0.4058 ( 3018 PWs) bands (ev): -3.1546 -3.1546 -3.1542 -3.1542 1.3991 1.3991 1.4059 1.4059 1.4389 1.4389 1.4869 1.4869 1.7084 1.7084 1.7705 1.7705 1.8577 1.8577 1.8810 1.8810 1.9383 1.9383 1.9527 1.9527 4.9077 4.9077 4.9268 4.9268 6.3921 6.3921 6.6616 6.6616 7.3398 7.3398 7.6159 7.6159 11.3569 11.3569 11.3812 11.3812 12.8863 12.8863 12.9164 12.9164 k = 0.0518 0.0581 0.4058 ( 3018 PWs) bands (ev): -3.1663 -3.1663 -3.1660 -3.1660 1.4009 1.4009 1.4063 1.4063 1.4424 1.4424 1.4841 1.4841 1.7144 1.7144 1.7671 1.7671 1.8599 1.8599 1.8806 1.8806 1.9398 1.9398 1.9523 1.9523 4.9980 4.9980 5.0212 5.0212 6.4170 6.4170 6.7129 6.7129 7.2136 7.2136 7.5083 7.5083 11.3274 11.3274 11.3481 11.3481 12.8356 12.8356 12.8612 12.8612 k = 0.0432 0.0484 0.4058 ( 3026 PWs) bands (ev): -3.1762 -3.1762 -3.1759 -3.1759 1.4024 1.4024 1.4066 1.4066 1.4460 1.4460 1.4811 1.4811 1.7200 1.7200 1.7635 1.7635 1.8622 1.8622 1.8799 1.8799 1.9413 1.9413 1.9518 1.9518 5.0841 5.0841 5.1104 5.1104 6.4375 6.4375 6.7578 6.7578 7.0960 7.0960 7.4086 7.4086 11.3029 11.3029 11.3201 11.3201 12.7916 12.7916 12.8129 12.8129 k = 0.0345 0.0387 0.4058 ( 3022 PWs) bands (ev): -3.1844 -3.1844 -3.1842 -3.1842 1.4037 1.4037 1.4069 1.4069 1.4498 1.4498 1.4780 1.4780 1.7253 1.7253 1.7599 1.7599 1.8644 1.8644 1.8789 1.8789 1.9427 1.9427 1.9512 1.9512 5.1638 5.1638 5.1912 5.1912 6.4554 6.4554 6.7882 6.7882 6.9976 6.9976 7.3180 7.3180 11.2835 11.2835 11.2972 11.2972 12.7551 12.7551 12.7720 12.7720 k = 0.0259 0.0290 0.4058 ( 3026 PWs) bands (ev): -3.1907 -3.1907 -3.1906 -3.1906 1.4046 1.4046 1.4069 1.4069 1.4535 1.4535 1.4748 1.4748 1.7303 1.7303 1.7562 1.7562 1.8666 1.8666 1.8777 1.8777 1.9440 1.9440 1.9505 1.9505 5.2338 5.2338 5.2596 5.2596 6.4739 6.4739 6.7760 6.7760 6.9493 6.9493 7.2370 7.2370 11.2689 11.2689 11.2792 11.2792 12.7265 12.7265 12.7391 12.7391 k = 0.0173 0.0194 0.4058 ( 3026 PWs) bands (ev): -3.1953 -3.1953 -3.1952 -3.1952 1.4054 1.4054 1.4069 1.4069 1.4572 1.4572 1.4714 1.4714 1.7351 1.7351 1.7523 1.7523 1.8688 1.8688 1.8763 1.8763 1.9454 1.9454 1.9496 1.9496 5.2906 5.2906 5.3110 5.3110 6.4975 6.4975 6.7130 6.7130 6.9630 6.9630 7.1657 7.1657 11.2590 11.2590 11.2659 11.2659 12.7063 12.7063 12.7147 12.7147 k = 0.0086 0.0097 0.4058 ( 3028 PWs) bands (ev): -3.1980 -3.1980 -3.1980 -3.1980 1.4060 1.4060 1.4068 1.4068 1.4608 1.4608 1.4680 1.4680 1.7397 1.7397 1.7482 1.7482 1.8709 1.8709 1.8746 1.8746 1.9466 1.9466 1.9487 1.9487 5.3298 5.3298 5.3412 5.3412 6.5312 6.5312 6.6409 6.6409 7.0012 7.0012 7.1033 7.1033 11.2538 11.2538 11.2572 11.2572 12.6949 12.6949 12.6991 12.6991 k = 0.0000 0.0000 0.4058 ( 3024 PWs) bands (ev): -3.1989 -3.1989 -3.1989 -3.1989 1.4065 1.4065 1.4065 1.4065 1.4645 1.4645 1.4645 1.4645 1.7441 1.7441 1.7441 1.7441 1.8728 1.8728 1.8728 1.8728 1.9477 1.9477 1.9477 1.9477 5.3475 5.3475 5.3475 5.3475 6.5788 6.5788 6.5788 6.5788 7.0487 7.0487 7.0487 7.0487 11.2532 11.2532 11.2532 11.2532 12.6925 12.6925 12.6925 12.6925 k = 0.0000 0.0000 0.4058 ( 3024 PWs) bands (ev): -3.1989 -3.1989 -3.1989 -3.1989 1.4065 1.4065 1.4065 1.4065 1.4645 1.4645 1.4645 1.4645 1.7441 1.7441 1.7441 1.7441 1.8728 1.8728 1.8728 1.8728 1.9477 1.9477 1.9477 1.9477 5.3475 5.3475 5.3475 5.3475 6.5788 6.5788 6.5788 6.5788 7.0487 7.0487 7.0487 7.0487 11.2532 11.2532 11.2532 11.2532 12.6925 12.6925 12.6925 12.6925 k = 0.0000 0.0000 0.3927 ( 3028 PWs) bands (ev): -3.2609 -3.2609 -3.1360 -3.1360 1.4020 1.4020 1.4118 1.4118 1.4639 1.4639 1.4651 1.4651 1.7405 1.7405 1.7478 1.7478 1.8703 1.8703 1.8751 1.8751 1.9450 1.9450 1.9502 1.9502 5.2624 5.2624 5.4351 5.4351 6.5232 6.5232 6.6344 6.6344 6.9828 6.9828 7.1168 7.1168 11.0569 11.0569 11.4439 11.4439 12.6323 12.6323 12.7566 12.7566 k = 0.0000 0.0000 0.3796 ( 3032 PWs) bands (ev): -3.3219 -3.3219 -3.0724 -3.0724 1.3984 1.3984 1.4180 1.4180 1.4634 1.4634 1.4658 1.4658 1.7370 1.7370 1.7516 1.7516 1.8676 1.8676 1.8771 1.8771 1.9422 1.9422 1.9526 1.9526 5.1798 5.1798 5.5253 5.5253 6.4681 6.4681 6.6891 6.6891 6.9200 6.9200 7.1868 7.1868 10.8572 10.8572 11.6261 11.6261 12.5760 12.5760 12.8244 12.8244 k = 0.0000 0.0000 0.3665 ( 3036 PWs) bands (ev): -3.3818 -3.3818 -3.0082 -3.0082 1.3957 1.3957 1.4251 1.4251 1.4629 1.4629 1.4667 1.4667 1.7337 1.7337 1.7556 1.7556 1.8646 1.8646 1.8789 1.8789 1.9394 1.9394 1.9547 1.9547 5.0996 5.0996 5.6178 5.6178 6.4136 6.4136 6.7394 6.7394 6.8637 6.8637 7.2582 7.2582 10.6559 10.6559 11.7964 11.7964 12.5239 12.5239 12.8959 12.8959 k = 0.0000 0.0000 0.3534 ( 3030 PWs) bands (ev): -3.4404 -3.4404 -2.9436 -2.9436 1.3937 1.3937 1.4332 1.4332 1.4625 1.4625 1.4677 1.4677 1.7306 1.7306 1.7598 1.7598 1.8614 1.8614 1.8806 1.8806 1.9365 1.9365 1.9566 1.9566 5.0219 5.0219 5.7127 5.7127 6.3599 6.3599 6.7592 6.7592 6.8402 6.8402 7.3309 7.3309 10.4546 10.4546 11.9508 11.9508 12.4761 12.4761 12.9710 12.9710 k = 0.0000 0.0000 0.3404 ( 3030 PWs) bands (ev): -3.4976 -3.4976 -2.8788 -2.8788 1.3923 1.3923 1.4419 1.4419 1.4621 1.4621 1.4691 1.4691 1.7276 1.7276 1.7640 1.7640 1.8581 1.8581 1.8821 1.8821 1.9336 1.9336 1.9583 1.9583 4.9465 4.9465 5.8099 5.8099 6.3073 6.3073 6.7196 6.7196 6.8782 6.8782 7.4045 7.4045 10.2546 10.2546 12.0843 12.0843 12.4334 12.4334 13.0496 13.0496 k = 0.0000 0.0000 0.3273 ( 3022 PWs) bands (ev): -3.5534 -3.5534 -2.8138 -2.8138 1.3916 1.3916 1.4511 1.4511 1.4618 1.4618 1.4711 1.4711 1.7249 1.7249 1.7685 1.7685 1.8547 1.8547 1.8837 1.8837 1.9307 1.9307 1.9597 1.9597 4.8735 4.8735 5.9090 5.9090 6.2560 6.2560 6.6673 6.6673 6.9310 6.9310 7.4785 7.4785 10.0572 10.0572 12.1910 12.1910 12.3976 12.3976 13.1317 13.1317 k = 0.0000 0.0000 0.3142 ( 3022 PWs) bands (ev): -3.6076 -3.6076 -2.7491 -2.7491 1.3915 1.3915 1.4593 1.4593 1.4615 1.4615 1.4751 1.4751 1.7223 1.7223 1.7730 1.7730 1.8512 1.8512 1.8853 1.8853 1.9278 1.9278 1.9608 1.9608 4.8026 4.8026 6.0095 6.0095 6.2063 6.2063 6.6149 6.6149 6.9864 6.9864 7.5524 7.5524 9.8635 9.8635 12.2605 12.2605 12.3759 12.3759 13.2171 13.2171 k = 0.0000 0.0000 0.3011 ( 3020 PWs) bands (ev): -3.6602 -3.6602 -2.6846 -2.6846 1.3919 1.3919 1.4612 1.4612 1.4645 1.4645 1.4831 1.4831 1.7200 1.7200 1.7776 1.7776 1.8478 1.8478 1.8872 1.8872 1.9248 1.9248 1.9615 1.9615 4.7339 4.7339 6.1070 6.1070 6.1623 6.1623 6.5645 6.5645 7.0423 7.0423 7.6254 7.6254 9.6749 9.6749 12.2775 12.2775 12.3820 12.3820 13.3058 13.3058 k = 0.0000 0.0000 0.2880 ( 3016 PWs) bands (ev): -3.7110 -3.7110 -2.6207 -2.6207 1.3928 1.3928 1.4609 1.4609 1.4672 1.4672 1.4944 1.4944 1.7180 1.7180 1.7823 1.7823 1.8444 1.8444 1.8895 1.8895 1.9220 1.9220 1.9619 1.9619 4.6673 4.6673 6.1054 6.1054 6.2188 6.2188 6.5178 6.5178 7.0984 7.0984 7.6965 7.6965 9.4929 9.4929 12.2618 12.2618 12.3963 12.3963 13.3978 13.3978 k = 0.0000 0.0000 0.2749 ( 3012 PWs) bands (ev): -3.7600 -3.7600 -2.5576 -2.5576 1.3941 1.3941 1.4606 1.4606 1.4688 1.4688 1.5073 1.5073 1.7163 1.7163 1.7869 1.7869 1.8413 1.8413 1.8924 1.8924 1.9193 1.9193 1.9620 1.9620 4.6025 4.6025 6.0612 6.0612 6.3138 6.3138 6.4801 6.4801 7.1546 7.1546 7.7640 7.7640 9.3196 9.3196 12.2394 12.2394 12.3948 12.3948 13.4929 13.4929 k = 0.0000 0.0000 0.2618 ( 3012 PWs) bands (ev): -3.8071 -3.8071 -2.4954 -2.4954 1.3957 1.3957 1.4603 1.4603 1.4701 1.4701 1.5210 1.5210 1.7150 1.7150 1.7914 1.7914 1.8384 1.8384 1.8962 1.8962 1.9168 1.9168 1.9616 1.9616 4.5395 4.5395 6.0176 6.0176 6.3698 6.3698 6.4855 6.4855 7.2111 7.2111 7.8254 7.8254 9.1578 9.1578 12.2161 12.2161 12.3743 12.3743 13.5910 13.5910 k = 0.0000 0.0000 0.2487 ( 3011 PWs) bands (ev): -3.8523 -3.8523 -2.4345 -2.4345 1.3976 1.3976 1.4600 1.4600 1.4711 1.4711 1.5351 1.5351 1.7141 1.7141 1.7955 1.7955 1.8359 1.8359 1.9008 1.9008 1.9150 1.9150 1.9610 1.9610 4.4782 4.4782 5.9755 5.9755 6.3525 6.3525 6.5668 6.5668 7.2681 7.2681 7.8770 7.8770 9.0116 9.0116 12.1918 12.1918 12.3380 12.3380 13.6920 13.6920 k = 0.0000 0.0000 0.2356 ( 3007 PWs) bands (ev): -3.8955 -3.8955 -2.3750 -2.3750 1.3998 1.3998 1.4596 1.4596 1.4720 1.4720 1.5490 1.5490 1.7138 1.7138 1.7989 1.7989 1.8340 1.8340 1.9046 1.9046 1.9160 1.9160 1.9600 1.9600 4.4185 4.4185 5.9352 5.9352 6.3171 6.3171 6.6677 6.6677 7.3262 7.3262 7.9129 7.9129 8.8873 8.8873 12.1619 12.1619 12.2932 12.2932 13.7958 13.7958 k = 0.0000 0.0000 0.2225 ( 3003 PWs) bands (ev): -3.9366 -3.9366 -2.3171 -2.3171 1.4021 1.4021 1.4592 1.4592 1.4729 1.4729 1.5624 1.5624 1.7141 1.7141 1.8015 1.8015 1.8329 1.8329 1.9047 1.9047 1.9232 1.9232 1.9587 1.9587 4.3602 4.3602 5.8969 5.8969 6.2800 6.2800 6.7702 6.7702 7.3863 7.3863 7.9254 7.9254 8.7930 8.7930 12.1161 12.1161 12.2525 12.2525 13.9023 13.9023 k = 0.0000 0.0000 0.2095 ( 3003 PWs) bands (ev): -3.9756 -3.9756 -2.2612 -2.2612 1.4046 1.4046 1.4588 1.4588 1.4735 1.4735 1.5749 1.5749 1.7149 1.7149 1.8029 1.8029 1.8326 1.8326 1.9028 1.9028 1.9352 1.9352 1.9573 1.9573 4.3032 4.3032 5.8605 5.8605 6.2438 6.2438 6.8697 6.8697 7.4495 7.4495 7.9077 7.9077 8.7362 8.7362 12.0460 12.0460 12.2264 12.2264 14.0111 14.0111 k = 0.0000 0.0000 0.1964 ( 3007 PWs) bands (ev): -4.0125 -4.0125 -2.2074 -2.2074 1.4072 1.4072 1.4583 1.4583 1.4741 1.4741 1.5861 1.5861 1.7163 1.7163 1.8032 1.8032 1.8332 1.8332 1.9004 1.9004 1.9485 1.9485 1.9582 1.9582 4.2474 4.2474 5.8262 5.8262 6.2093 6.2093 6.9629 6.9629 7.5176 7.5176 7.8595 7.8595 8.7181 8.7181 11.9549 11.9549 12.2129 12.2129 14.1218 14.1218 k = 0.0000 0.0000 0.1833 ( 3017 PWs) bands (ev): -4.0471 -4.0471 -2.1560 -2.1560 1.4099 1.4099 1.4578 1.4578 1.4745 1.4745 1.5960 1.5960 1.7180 1.7180 1.8026 1.8026 1.8345 1.8345 1.8980 1.8980 1.9505 1.9505 1.9737 1.9737 4.1927 4.1927 5.7940 5.7940 6.1768 6.1768 7.0458 7.0458 7.5920 7.5920 7.7897 7.7897 8.7317 8.7317 11.8492 11.8492 12.2073 12.2073 14.2316 14.2316 k = 0.0000 0.0000 0.1702 ( 3017 PWs) bands (ev): -4.0796 -4.0796 -2.1071 -2.1071 1.4126 1.4126 1.4573 1.4573 1.4747 1.4747 1.6045 1.6045 1.7200 1.7200 1.8013 1.8013 1.8363 1.8363 1.8955 1.8955 1.9483 1.9483 1.9970 1.9970 4.1391 4.1391 5.7640 5.7640 6.1463 6.1463 7.1138 7.1138 7.6667 7.6667 7.7186 7.7186 8.7669 8.7669 11.7326 11.7326 12.2067 12.2067 14.2757 14.2757 k = 0.0000 0.0000 0.1571 ( 3021 PWs) bands (ev): -4.1097 -4.1097 -2.0611 -2.0611 1.4153 1.4153 1.4567 1.4567 1.4748 1.4748 1.6117 1.6117 1.7221 1.7221 1.7997 1.7997 1.8384 1.8384 1.8932 1.8932 1.9455 1.9455 2.0240 2.0240 4.0866 4.0866 5.7362 5.7362 6.1180 6.1180 7.1608 7.1608 7.6271 7.6271 7.7754 7.7754 8.8151 8.8151 11.6076 11.6076 12.2097 12.2097 14.2428 14.2428 k = 0.0000 0.0000 0.1440 ( 3031 PWs) bands (ev): -4.1376 -4.1376 -2.0179 -2.0179 1.4180 1.4180 1.4562 1.4562 1.4746 1.4746 1.6177 1.6177 1.7239 1.7239 1.7979 1.7979 1.8408 1.8408 1.8909 1.8909 1.9422 1.9422 2.0541 2.0541 4.0353 4.0353 5.7105 5.7105 6.0919 6.0919 7.1789 7.1789 7.5697 7.5697 7.8765 7.8765 8.8704 8.8704 11.4759 11.4759 12.2155 12.2155 14.2049 14.2049 k = 0.0000 0.0000 0.1309 ( 3031 PWs) bands (ev): -4.1631 -4.1631 -1.9780 -1.9780 1.4205 1.4205 1.4557 1.4557 1.4743 1.4743 1.6230 1.6230 1.7253 1.7253 1.7962 1.7962 1.8433 1.8433 1.8889 1.8889 1.9387 1.9387 2.0867 2.0867 3.9852 3.9852 5.6871 5.6871 6.0679 6.0679 7.1623 7.1623 7.5389 7.5389 7.9866 7.9866 8.9292 8.9292 11.3392 11.3392 12.2234 12.2234 14.1654 14.1654 k = 0.0000 0.0000 0.1178 ( 3033 PWs) bands (ev): -4.1863 -4.1863 -1.9413 -1.9413 1.4230 1.4230 1.4553 1.4553 1.4738 1.4738 1.6275 1.6275 1.7263 1.7263 1.7947 1.7947 1.8460 1.8460 1.8870 1.8870 1.9349 1.9349 2.1211 2.1211 3.9367 3.9367 5.6660 5.6660 6.0463 6.0463 7.1169 7.1169 7.5336 7.5336 8.1026 8.1026 8.9890 8.9890 11.1988 11.1988 12.2328 12.2328 14.1257 14.1257 k = 0.0000 0.0000 0.1047 ( 3037 PWs) bands (ev): -4.2071 -4.2071 -1.9082 -1.9082 1.4254 1.4254 1.4549 1.4549 1.4731 1.4731 1.6316 1.6316 1.7267 1.7267 1.7934 1.7934 1.8487 1.8487 1.8855 1.8855 1.9310 1.9310 2.1564 2.1564 3.8901 3.8901 5.6471 5.6471 6.0268 6.0268 7.0567 7.0567 7.5430 7.5430 8.2221 8.2221 9.0484 9.0484 11.0562 11.0562 12.2433 12.2433 14.0867 14.0867 k = 0.0000 0.0000 0.0916 ( 3027 PWs) bands (ev): -4.2254 -4.2254 -1.8786 -1.8786 1.4275 1.4275 1.4546 1.4546 1.4723 1.4723 1.6353 1.6353 1.7265 1.7265 1.7924 1.7924 1.8514 1.8514 1.8845 1.8845 1.9269 1.9269 2.1918 2.1918 3.8458 3.8458 5.6304 5.6304 6.0097 6.0097 6.9930 6.9930 7.5580 7.5580 8.3426 8.3426 9.1063 9.1063 10.9129 10.9129 12.2542 12.2542 14.0496 14.0496 k = 0.0000 0.0000 0.0785 ( 3015 PWs) bands (ev): -4.2414 -4.2414 -1.8527 -1.8527 1.4295 1.4295 1.4545 1.4545 1.4714 1.4714 1.6387 1.6387 1.7259 1.7259 1.7917 1.7917 1.8539 1.8539 1.8840 1.8840 1.9227 1.9227 2.2262 2.2262 3.8046 3.8046 5.6160 5.6160 5.9948 5.9948 6.9321 6.9321 7.5740 7.5740 8.4612 8.4612 9.1624 9.1624 10.7709 10.7709 12.2651 12.2651 14.0155 14.0155 k = 0.0000 0.0000 0.0655 ( 3019 PWs) bands (ev): -4.2549 -4.2549 -1.8307 -1.8307 1.4312 1.4312 1.4544 1.4544 1.4703 1.4703 1.6418 1.6418 1.7248 1.7248 1.7913 1.7913 1.8561 1.8561 1.8841 1.8841 1.9185 1.9185 2.2583 2.2583 3.7672 3.7672 5.6039 5.6039 5.9822 5.9822 6.8776 6.8776 7.5889 7.5889 8.5745 8.5745 9.2167 9.2167 10.6325 10.6325 12.2754 12.2754 13.9854 13.9854 k = 0.0000 0.0000 0.0524 ( 3021 PWs) bands (ev): -4.2660 -4.2660 -1.8126 -1.8126 1.4326 1.4326 1.4545 1.4545 1.4693 1.4693 1.6445 1.6445 1.7236 1.7236 1.7910 1.7910 1.8578 1.8578 1.8850 1.8850 1.9142 1.9142 2.2870 2.2870 3.7346 3.7346 5.5940 5.5940 5.9719 5.9719 6.8312 6.8312 7.6017 7.6017 8.6782 8.6782 9.2695 9.2695 10.5010 10.5010 12.2846 12.2846 13.9599 13.9600 k = 0.0000 0.0000 0.0393 ( 3021 PWs) bands (ev): -4.2747 -4.2747 -1.7984 -1.7984 1.4337 1.4337 1.4548 1.4548 1.4683 1.4683 1.6468 1.6468 1.7223 1.7223 1.7909 1.7909 1.8590 1.8590 1.8867 1.8867 1.9100 1.9100 2.3111 2.3111 3.7078 3.7078 5.5863 5.5863 5.9639 5.9639 6.7942 6.7942 7.6119 7.6119 8.7670 8.7670 9.3205 9.3205 10.3812 10.3812 12.2922 12.2922 13.9397 13.9397 k = 0.0000 0.0000 0.0262 ( 3035 PWs) bands (ev): -4.2809 -4.2809 -1.7882 -1.7882 1.4344 1.4344 1.4550 1.4550 1.4674 1.4674 1.6485 1.6485 1.7212 1.7212 1.7908 1.7908 1.8597 1.8597 1.8889 1.8889 1.9059 1.9059 2.3293 2.3293 3.6878 3.6878 5.5808 5.5808 5.9581 5.9581 6.7673 6.7673 7.6193 7.6193 8.8352 8.8352 9.3673 9.3673 10.2809 10.2809 12.2980 12.2980 13.9250 13.9250 k = 0.0000 0.0000 0.0131 ( 3035 PWs) bands (ev): -4.2846 -4.2846 -1.7821 -1.7821 1.4349 1.4349 1.4552 1.4552 1.4669 1.4669 1.6495 1.6495 1.7205 1.7205 1.7908 1.7908 1.8601 1.8601 1.8914 1.8914 1.9024 1.9024 2.3407 2.3407 3.6753 3.6753 5.5775 5.5775 5.9547 5.9547 6.7511 6.7511 7.6238 7.6238 8.8779 8.8779 9.4028 9.4028 10.2116 10.2116 12.3016 12.3016 13.9161 13.9161 k = 0.0000 0.0000 0.0000 ( 3039 PWs) bands (ev): -4.2858 -4.2858 -1.7801 -1.7801 1.4351 1.4351 1.4553 1.4553 1.4666 1.4666 1.6499 1.6499 1.7202 1.7202 1.7908 1.7908 1.8603 1.8603 1.8927 1.8927 1.9007 1.9007 2.3445 2.3445 3.6711 3.6711 5.5764 5.5764 5.9536 5.9536 6.7456 6.7456 7.6253 7.6253 8.8925 8.8925 9.4165 9.4165 10.1863 10.1863 12.3028 12.3028 13.9131 13.9131 k = 0.0000 0.0000 0.0000 ( 3039 PWs) bands (ev): -4.2858 -4.2858 -1.7801 -1.7801 1.4351 1.4351 1.4553 1.4553 1.4666 1.4666 1.6499 1.6499 1.7202 1.7202 1.7908 1.7908 1.8603 1.8603 1.8927 1.8927 1.9007 1.9007 2.3445 2.3445 3.6711 3.6711 5.5764 5.5764 5.9536 5.9536 6.7456 6.7456 7.6253 7.6253 8.8925 8.8925 9.4165 9.4165 10.1863 10.1863 12.3028 12.3028 13.9131 13.9131 k =-0.0098 0.0087-0.0000 ( 3027 PWs) bands (ev): -4.2846 -4.2846 -1.7802 -1.7802 1.4349 1.4349 1.4553 1.4553 1.4668 1.4668 1.6498 1.6498 1.7202 1.7202 1.7907 1.7907 1.8601 1.8601 1.8926 1.8926 1.9009 1.9009 2.3442 2.3442 3.6731 3.6731 5.5699 5.5699 5.9461 5.9461 6.7588 6.7588 7.6265 7.6265 8.8861 8.8861 9.3933 9.3933 10.2137 10.2137 12.3060 12.3060 13.9050 13.9050 k =-0.0196 0.0175-0.0000 ( 3031 PWs) bands (ev): -4.2811 -4.2811 -1.7806 -1.7806 1.4341 1.4341 1.4550 1.4550 1.4671 1.4671 1.6493 1.6493 1.7199 1.7199 1.7905 1.7905 1.8596 1.8596 1.8921 1.8921 1.9013 1.9013 2.3432 2.3432 3.6789 3.6789 5.5509 5.5509 5.9249 5.9249 6.7966 6.7966 7.6301 7.6301 8.8666 8.8666 9.3326 9.3326 10.2873 10.2873 12.3155 12.3155 13.8577 13.8577 k =-0.0294 0.0262-0.0000 ( 3033 PWs) bands (ev): -4.2753 -4.2753 -1.7813 -1.7813 1.4329 1.4329 1.4547 1.4547 1.4676 1.4676 1.6486 1.6486 1.7195 1.7195 1.7901 1.7901 1.8587 1.8587 1.8913 1.8913 1.9018 1.9018 2.3418 2.3418 3.6886 3.6886 5.5208 5.5208 5.8928 5.8928 6.8548 6.8548 7.6360 7.6360 8.8330 8.8330 9.2517 9.2517 10.3907 10.3907 12.3316 12.3316 13.7659 13.7659 k =-0.0392 0.0350-0.0000 ( 3037 PWs) bands (ev): -4.2671 -4.2671 -1.7823 -1.7823 1.4311 1.4311 1.4543 1.4543 1.4683 1.4683 1.6476 1.6476 1.7190 1.7190 1.7897 1.7897 1.8574 1.8574 1.8902 1.8902 1.9025 1.9025 2.3397 2.3397 3.7020 3.7020 5.4816 5.4816 5.8525 5.8525 6.9284 6.9284 7.6440 7.6440 8.7839 8.7839 9.1649 9.1649 10.5114 10.5114 12.3543 12.3543 13.6445 13.6445 k =-0.0490 0.0437-0.0000 ( 3033 PWs) bands (ev): -4.2567 -4.2567 -1.7836 -1.7836 1.4288 1.4288 1.4540 1.4540 1.4689 1.4689 1.6464 1.6464 1.7182 1.7182 1.7891 1.7891 1.8558 1.8558 1.8891 1.8891 1.9034 1.9034 2.3372 2.3372 3.7193 3.7193 5.4355 5.4355 5.8062 5.8062 7.0123 7.0123 7.6542 7.6542 8.7187 8.7187 9.0809 9.0809 10.6414 10.6414 12.3838 12.3838 13.5038 13.5038 k =-0.0588 0.0525-0.0000 ( 3029 PWs) bands (ev): -4.2439 -4.2439 -1.7852 -1.7852 1.4261 1.4261 1.4539 1.4539 1.4696 1.4696 1.6449 1.6449 1.7173 1.7173 1.7884 1.7884 1.8539 1.8539 1.8878 1.8878 1.9043 1.9043 2.3342 2.3342 3.7401 3.7401 5.3849 5.3849 5.7551 5.7551 7.1016 7.1016 7.6675 7.6675 8.6388 8.6388 9.0033 9.0033 10.7758 10.7758 12.4202 12.4202 13.3513 13.3513 k =-0.0686 0.0612-0.0000 ( 3033 PWs) bands (ev): -4.2288 -4.2288 -1.7872 -1.7872 1.4228 1.4228 1.4538 1.4538 1.4703 1.4703 1.6433 1.6433 1.7161 1.7161 1.7876 1.7876 1.8517 1.8517 1.8864 1.8864 1.9054 1.9054 2.3307 2.3307 3.7645 3.7645 5.3316 5.3316 5.7000 5.7000 7.1903 7.1903 7.6858 7.6858 8.5479 8.5479 8.9319 8.9319 10.9111 10.9111 12.4637 12.4637 13.1931 13.1931 k =-0.0784 0.0699-0.0000 ( 3029 PWs) bands (ev): -4.2115 -4.2115 -1.7895 -1.7895 1.4191 1.4191 1.4539 1.4539 1.4709 1.4709 1.6416 1.6416 1.7148 1.7148 1.7868 1.7868 1.8493 1.8493 1.8850 1.8850 1.9065 1.9065 2.3269 2.3269 3.7924 3.7924 5.2770 5.2770 5.6416 5.6416 7.2704 7.2704 7.7136 7.7136 8.4515 8.4515 8.8648 8.8648 11.0437 11.0437 12.5141 12.5141 13.0348 13.0348 k =-0.0882 0.0787-0.0000 ( 3025 PWs) bands (ev): -4.1919 -4.1919 -1.7923 -1.7923 1.4150 1.4150 1.4541 1.4541 1.4715 1.4715 1.6397 1.6397 1.7133 1.7133 1.7860 1.7860 1.8468 1.8468 1.8837 1.8837 1.9077 1.9077 2.3228 2.3228 3.8236 3.8236 5.2224 5.2224 5.5804 5.5804 7.3313 7.3313 7.7572 7.7572 8.3554 8.3554 8.7996 8.7996 11.1697 11.1697 12.5705 12.5705 12.8831 12.8831 k =-0.0980 0.0874-0.0000 ( 3025 PWs) bands (ev): -4.1702 -4.1702 -1.7955 -1.7955 1.4106 1.4106 1.4544 1.4544 1.4720 1.4720 1.6378 1.6378 1.7115 1.7115 1.7852 1.7852 1.8441 1.8441 1.8822 1.8822 1.9090 1.9090 2.3184 2.3184 3.8580 3.8580 5.1686 5.1686 5.5168 5.5168 7.3639 7.3639 7.8198 7.8198 8.2663 8.2663 8.7352 8.7352 11.2838 11.2838 12.6250 12.6250 12.7521 12.7521 k =-0.1078 0.0962-0.0000 ( 3021 PWs) bands (ev): -4.1462 -4.1462 -1.7992 -1.7992 1.4058 1.4058 1.4549 1.4549 1.4725 1.4725 1.6359 1.6359 1.7095 1.7095 1.7845 1.7845 1.8414 1.8414 1.8808 1.8808 1.9104 1.9104 2.3139 2.3139 3.8953 3.8953 5.1161 5.1161 5.4514 5.4514 7.3659 7.3659 7.8918 7.8918 8.1968 8.1968 8.6706 8.6706 11.3778 11.3778 12.5924 12.5924 12.7354 12.7354 k =-0.1176 0.1049-0.0000 ( 3017 PWs) bands (ev): -4.1201 -4.1201 -1.8034 -1.8034 1.4008 1.4008 1.4554 1.4554 1.4729 1.4729 1.6340 1.6340 1.7074 1.7074 1.7838 1.7838 1.8388 1.8388 1.8795 1.8795 1.9119 1.9119 2.3092 2.3092 3.9355 3.9355 5.0654 5.0654 5.3846 5.3846 7.3409 7.3409 7.9370 7.9370 8.1791 8.1791 8.6057 8.6057 11.4409 11.4409 12.5078 12.5078 12.8086 12.8086 k =-0.1275 0.1137-0.0000 ( 3013 PWs) bands (ev): -4.0919 -4.0919 -1.8082 -1.8082 1.3955 1.3955 1.4561 1.4561 1.4733 1.4733 1.6321 1.6321 1.7051 1.7051 1.7832 1.7832 1.8362 1.8362 1.8781 1.8781 1.9134 1.9134 2.3045 2.3045 3.9784 3.9784 5.0166 5.0166 5.3169 5.3169 7.2932 7.2932 7.9209 7.9209 8.2428 8.2428 8.5405 8.5405 11.4617 11.4617 12.4570 12.4570 12.8966 12.8966 k =-0.1373 0.1224-0.0000 ( 3007 PWs) bands (ev): -4.0616 -4.0616 -1.8135 -1.8135 1.3901 1.3901 1.4569 1.4569 1.4736 1.4736 1.6303 1.6303 1.7026 1.7026 1.7828 1.7828 1.8338 1.8338 1.8769 1.8769 1.9150 1.9150 2.2998 2.2998 4.0236 4.0236 4.9698 4.9698 5.2490 5.2490 7.2268 7.2268 7.8758 7.8758 8.3510 8.3510 8.4752 8.4752 11.4359 11.4359 12.4488 12.4488 12.9936 12.9936 k =-0.1471 0.1311-0.0000 ( 3005 PWs) bands (ev): -4.0293 -4.0293 -1.8194 -1.8194 1.3847 1.3847 1.4578 1.4578 1.4739 1.4739 1.6286 1.6286 1.7001 1.7001 1.7824 1.7824 1.8315 1.8315 1.8756 1.8756 1.9167 1.9167 2.2951 2.2951 4.0708 4.0708 4.9250 4.9250 5.1812 5.1812 7.1457 7.1457 7.8264 7.8264 8.4099 8.4099 8.4741 8.4741 11.3716 11.3716 12.4741 12.4741 13.0982 13.0982 k =-0.1569 0.1399-0.0000 ( 3005 PWs) bands (ev): -3.9950 -3.9950 -1.8260 -1.8260 1.3792 1.3792 1.4588 1.4588 1.4741 1.4741 1.6271 1.6271 1.6974 1.6974 1.7822 1.7822 1.8295 1.8295 1.8745 1.8745 1.9184 1.9184 2.2905 2.2905 4.1196 4.1196 4.8823 4.8823 5.1143 5.1143 7.0539 7.0539 7.7781 7.7781 8.3454 8.3454 8.6010 8.6010 11.2836 11.2836 12.5163 12.5163 13.2101 13.2101 k =-0.1667 0.1486-0.0000 ( 3009 PWs) bands (ev): -3.9588 -3.9588 -1.8332 -1.8332 1.3738 1.3738 1.4599 1.4599 1.4743 1.4743 1.6256 1.6256 1.6948 1.6948 1.7821 1.7821 1.8277 1.8277 1.8734 1.8734 1.9201 1.9201 2.2861 2.2861 4.1693 4.1693 4.8415 4.8415 5.0489 5.0489 6.9547 6.9547 7.7311 7.7311 8.2817 8.2817 8.7270 8.7270 11.1851 11.1851 12.5596 12.5596 13.3289 13.3289 k =-0.1765 0.1574-0.0000 ( 3011 PWs) bands (ev): -3.9207 -3.9207 -1.8411 -1.8411 1.3685 1.3685 1.4611 1.4611 1.4745 1.4745 1.6244 1.6244 1.6923 1.6923 1.7822 1.7822 1.8261 1.8261 1.8724 1.8724 1.9220 1.9220 2.2818 2.2818 4.2189 4.2189 4.8030 4.8030 4.9855 4.9855 6.8510 6.8510 7.6844 7.6844 8.2192 8.2192 8.8480 8.8480 11.0859 11.0859 12.5926 12.5926 13.4542 13.4542 k =-0.1863 0.1661-0.0000 ( 3005 PWs) bands (ev): -3.8809 -3.8809 -1.8496 -1.8496 1.3635 1.3635 1.4625 1.4625 1.4746 1.4746 1.6233 1.6233 1.6898 1.6898 1.7826 1.7826 1.8248 1.8248 1.8715 1.8715 1.9238 1.9238 2.2777 2.2777 4.2666 4.2666 4.7675 4.7675 4.9249 4.9249 6.7450 6.7450 7.6372 7.6372 8.1581 8.1581 8.9600 8.9600 10.9927 10.9927 12.6080 12.6080 13.5858 13.5858 k =-0.1961 0.1749-0.0000 ( 3005 PWs) bands (ev): -3.8393 -3.8393 -1.8587 -1.8587 1.3588 1.3588 1.4640 1.4640 1.4747 1.4747 1.6225 1.6225 1.6876 1.6876 1.7830 1.7830 1.8237 1.8237 1.8707 1.8707 1.9258 1.9258 2.2738 2.2738 4.3094 4.3094 4.7373 4.7373 4.8675 4.8675 6.6387 6.6387 7.5888 7.5888 8.0987 8.0987 9.0586 9.0586 10.9108 10.9108 12.6027 12.6027 13.7236 13.7236 k =-0.2059 0.1836-0.0000 ( 3009 PWs) bands (ev): -3.7962 -3.7962 -1.8686 -1.8686 1.3544 1.3544 1.4655 1.4655 1.4747 1.4747 1.6219 1.6219 1.6854 1.6854 1.7837 1.7837 1.8229 1.8229 1.8701 1.8701 1.9278 1.9278 2.2702 2.2702 4.3420 4.3420 4.7168 4.7168 4.8136 4.8136 6.5336 6.5336 7.5391 7.5391 8.0411 8.0411 9.1394 9.1394 10.8439 10.8439 12.5782 12.5782 13.8667 13.8667 k =-0.2157 0.1924-0.0000 ( 3005 PWs) bands (ev): -3.7514 -3.7514 -1.8791 -1.8791 1.3505 1.3505 1.4672 1.4672 1.4747 1.4747 1.6216 1.6216 1.6836 1.6836 1.7846 1.7846 1.8223 1.8223 1.8696 1.8696 1.9298 1.9298 2.2668 2.2668 4.3574 4.3574 4.7129 4.7129 4.7625 4.7625 6.4312 6.4312 7.4878 7.4878 7.9854 7.9854 9.1981 9.1981 10.7939 10.7939 12.5394 12.5394 13.9946 13.9946 k =-0.2255 0.2011-0.0000 ( 3011 PWs) bands (ev): -3.7053 -3.7053 -1.8902 -1.8902 1.3471 1.3471 1.4689 1.4689 1.4746 1.4746 1.6216 1.6216 1.6820 1.6820 1.7857 1.7857 1.8219 1.8219 1.8693 1.8693 1.9319 1.9319 2.2636 2.2636 4.3511 4.3511 4.7133 4.7133 4.7306 4.7306 6.3329 6.3329 7.4352 7.4352 7.9316 7.9316 9.2320 9.2320 10.7597 10.7597 12.4947 12.4947 13.9299 13.9299 k =-0.2353 0.2098-0.0000 ( 3007 PWs) bands (ev): -3.6577 -3.6577 -1.9019 -1.9019 1.3444 1.3444 1.4707 1.4707 1.4746 1.4746 1.6220 1.6220 1.6807 1.6807 1.7869 1.7869 1.8218 1.8218 1.8692 1.8692 1.9341 1.9341 2.2608 2.2608 4.3250 4.3250 4.6647 4.6647 4.7678 4.7678 6.2402 6.2402 7.3814 7.3814 7.8796 7.8796 9.2410 9.2410 10.7364 10.7364 12.4538 12.4538 13.8623 13.8623 k =-0.2451 0.2186-0.0000 ( 3003 PWs) bands (ev): -3.6090 -3.6090 -1.9142 -1.9142 1.3423 1.3423 1.4726 1.4726 1.4745 1.4745 1.6227 1.6227 1.6797 1.6797 1.7884 1.7884 1.8218 1.8218 1.8692 1.8692 1.9363 1.9363 2.2581 2.2581 4.2856 4.2856 4.6149 4.6149 4.8191 4.8191 6.1545 6.1545 7.3268 7.3268 7.8295 7.8295 9.2274 9.2274 10.7153 10.7153 12.4275 12.4275 13.7969 13.7969 k =-0.2549 0.2273-0.0000 ( 3002 PWs) bands (ev): -3.5591 -3.5591 -1.9271 -1.9271 1.3408 1.3408 1.4742 1.4742 1.4746 1.4746 1.6239 1.6239 1.6790 1.6790 1.7900 1.7900 1.8220 1.8220 1.8695 1.8695 1.9386 1.9386 2.2558 2.2558 4.2383 4.2383 4.5624 4.5624 4.8794 4.8794 6.0773 6.0773 7.2717 7.2717 7.7810 7.7810 9.1954 9.1954 10.6862 10.6862 12.4253 12.4253 13.7093 13.7093 k =-0.2647 0.2361-0.0000 ( 3004 PWs) bands (ev): -3.5082 -3.5082 -1.9404 -1.9404 1.3401 1.3401 1.4741 1.4741 1.4765 1.4765 1.6255 1.6255 1.6785 1.6785 1.7918 1.7918 1.8224 1.8224 1.8701 1.8701 1.9409 1.9409 2.2537 2.2537 4.1867 4.1867 4.5059 4.5059 4.9454 4.9454 6.0099 6.0099 7.2165 7.2165 7.7342 7.7342 9.1498 9.1498 10.6404 10.6404 12.4544 12.4544 13.5258 13.5258 k =-0.2745 0.2448-0.0000 ( 3000 PWs) bands (ev): -3.4565 -3.4565 -1.9541 -1.9541 1.3402 1.3402 1.4739 1.4739 1.4785 1.4785 1.6276 1.6276 1.6784 1.6784 1.7937 1.7937 1.8229 1.8229 1.8709 1.8709 1.9434 1.9434 2.2519 2.2519 4.1330 4.1330 4.4442 4.4442 5.0151 5.0151 5.9534 5.9534 7.1614 7.1614 7.6891 7.6891 9.0948 9.0948 10.5730 10.5730 12.5173 12.5173 13.3422 13.3422 k =-0.2843 0.2536-0.0000 ( 3002 PWs) bands (ev): -3.4041 -3.4041 -1.9683 -1.9683 1.3411 1.3411 1.4736 1.4736 1.4805 1.4805 1.6301 1.6301 1.6786 1.6786 1.7957 1.7957 1.8235 1.8235 1.8720 1.8720 1.9459 1.9459 2.2503 2.2503 4.0784 4.0784 4.3766 4.3766 5.0873 5.0873 5.9088 5.9088 7.1069 7.1069 7.6454 7.6454 9.0338 9.0338 10.4839 10.4839 12.6123 12.6123 13.1602 13.1602 k =-0.2941 0.2623-0.0000 ( 3002 PWs) bands (ev): -3.3511 -3.3511 -1.9828 -1.9828 1.3429 1.3429 1.4732 1.4732 1.4825 1.4825 1.6331 1.6331 1.6790 1.6790 1.7978 1.7978 1.8242 1.8242 1.8734 1.8734 1.9484 1.9484 2.2489 2.2489 4.0238 4.0238 4.3029 4.3029 5.1611 5.1611 5.8767 5.8767 7.0533 7.0533 7.6034 7.6034 8.9695 8.9695 10.3758 10.3758 12.7340 12.7340 12.9820 12.9820 k =-0.3039 0.2710-0.0000 ( 3006 PWs) bands (ev): -3.2978 -3.2978 -1.9976 -1.9976 1.3456 1.3456 1.4729 1.4729 1.4846 1.4846 1.6366 1.6366 1.6797 1.6797 1.7998 1.7998 1.8251 1.8251 1.8752 1.8752 1.9510 1.9510 2.2478 2.2478 3.9697 3.9697 4.2233 4.2233 5.2357 5.2357 5.8571 5.8571 7.0008 7.0008 7.5628 7.5628 8.9037 8.9037 10.2527 10.2527 12.7880 12.7880 12.8974 12.8974 k =-0.3137 0.2798-0.0000 ( 3002 PWs) bands (ev): -3.2443 -3.2443 -2.0126 -2.0126 1.3491 1.3491 1.4725 1.4725 1.4868 1.4868 1.6406 1.6406 1.6807 1.6807 1.8018 1.8018 1.8259 1.8259 1.8773 1.8773 1.9537 1.9537 2.2469 2.2469 3.9165 3.9165 4.1383 4.1383 5.3104 5.3104 5.8502 5.8502 6.9496 6.9496 7.5238 7.5238 8.8377 8.8377 10.1186 10.1186 12.6216 12.6216 13.0551 13.0551 k =-0.3235 0.2885-0.0000 ( 2998 PWs) bands (ev): -3.1907 -3.1907 -2.0278 -2.0278 1.3536 1.3536 1.4720 1.4720 1.4891 1.4891 1.6450 1.6450 1.6819 1.6819 1.8037 1.8037 1.8269 1.8269 1.8800 1.8800 1.9565 1.9565 2.2462 2.2462 3.8643 3.8643 4.0489 4.0489 5.3847 5.3847 5.8555 5.8555 6.9000 6.9000 7.4864 7.4864 8.7724 8.7724 9.9769 9.9769 12.4513 12.4513 13.2351 13.2351 k =-0.3333 0.2973-0.0000 ( 3002 PWs) bands (ev): -3.1374 -3.1374 -2.0432 -2.0432 1.3589 1.3589 1.4715 1.4715 1.4915 1.4915 1.6497 1.6497 1.6834 1.6834 1.8054 1.8054 1.8278 1.8278 1.8830 1.8830 1.9594 1.9594 2.2456 2.2456 3.8129 3.8129 3.9565 3.9565 5.4578 5.4578 5.8727 5.8727 6.8522 6.8522 7.4506 7.4506 8.7084 8.7084 9.8305 9.8305 12.2843 12.2843 13.3166 13.3166 k =-0.3431 0.3060-0.0000 ( 3002 PWs) bands (ev): -3.0844 -3.0844 -2.0586 -2.0586 1.3651 1.3651 1.4710 1.4710 1.4942 1.4942 1.6548 1.6548 1.6851 1.6851 1.8071 1.8071 1.8287 1.8287 1.8865 1.8865 1.9624 1.9624 2.2452 2.2452 3.7614 3.7614 3.8631 3.8631 5.5292 5.5292 5.9011 5.9011 6.8064 6.8064 7.4165 7.4165 8.6458 8.6458 9.6818 9.6818 12.1215 12.1215 13.2758 13.2758 k =-0.3529 0.3148-0.0000 ( 3000 PWs) bands (ev): -3.0321 -3.0321 -2.0742 -2.0742 1.3719 1.3719 1.4704 1.4704 1.4973 1.4973 1.6603 1.6603 1.6871 1.6871 1.8085 1.8085 1.8296 1.8296 1.8905 1.8905 1.9654 1.9654 2.2449 2.2449 3.7056 3.7056 3.7742 3.7742 5.5988 5.5988 5.9399 5.9399 6.7627 6.7627 7.3840 7.3840 8.5846 8.5846 9.5326 9.5326 11.9636 11.9636 13.2373 13.2373 k =-0.3627 0.3235-0.0000 ( 2998 PWs) bands (ev): -2.9806 -2.9806 -2.0897 -2.0897 1.3794 1.3794 1.4698 1.4698 1.5007 1.5007 1.6660 1.6660 1.6893 1.6893 1.8097 1.8097 1.8305 1.8305 1.8951 1.8951 1.9685 1.9685 2.2447 2.2447 3.6332 3.6332 3.7032 3.7032 5.6664 5.6664 5.9879 5.9879 6.7212 6.7212 7.3534 7.3534 8.5245 8.5245 9.3849 9.3849 11.8109 11.8109 13.2012 13.2012 k =-0.3725 0.3322-0.0000 ( 2998 PWs) bands (ev): -2.9302 -2.9302 -2.1052 -2.1052 1.3874 1.3874 1.4692 1.4692 1.5047 1.5047 1.6719 1.6719 1.6917 1.6917 1.8107 1.8107 1.8312 1.8312 1.9002 1.9002 1.9716 1.9716 2.2445 2.2445 3.5434 3.5434 3.6519 3.6519 5.7324 5.7324 6.0437 6.0437 6.6822 6.6822 7.3245 7.3245 8.4649 8.4649 9.2405 9.2405 11.6641 11.6641 13.1676 13.1676 k =-0.3824 0.3410-0.0000 ( 2998 PWs) bands (ev): -2.8810 -2.8810 -2.1207 -2.1207 1.3955 1.3955 1.4685 1.4685 1.5094 1.5094 1.6781 1.6781 1.6945 1.6945 1.8115 1.8115 1.8318 1.8318 1.9059 1.9059 1.9749 1.9749 2.2444 2.2444 3.4483 3.4483 3.6093 3.6093 5.7974 5.7974 6.1056 6.1056 6.6457 6.6457 7.2975 7.2975 8.4047 8.4047 9.1013 9.1013 11.5237 11.5237 13.1365 13.1365 k =-0.3922 0.3497-0.0000 ( 2998 PWs) bands (ev): -2.8335 -2.8335 -2.1362 -2.1362 1.4036 1.4036 1.4678 1.4678 1.5148 1.5148 1.6843 1.6843 1.6976 1.6976 1.8121 1.8121 1.8324 1.8324 1.9122 1.9122 1.9781 1.9781 2.2442 2.2442 3.3531 3.3531 3.5711 3.5711 5.8619 5.8619 6.1719 6.1719 6.6120 6.6120 7.2724 7.2724 8.3425 8.3425 8.9697 8.9697 11.3904 11.3904 13.1079 13.1079 k =-0.4020 0.3585-0.0000 ( 2998 PWs) bands (ev): -2.7877 -2.7877 -2.1516 -2.1516 1.4113 1.4113 1.4671 1.4671 1.5210 1.5210 1.6903 1.6903 1.7013 1.7013 1.8125 1.8125 1.8327 1.8327 1.9193 1.9193 1.9816 1.9816 2.2439 2.2439 3.2597 3.2597 3.5364 3.5364 5.9261 5.9261 6.2410 6.2410 6.5812 6.5812 7.2493 7.2493 8.2762 8.2762 8.8485 8.8485 11.2646 11.2646 13.0818 13.0818 k =-0.4118 0.3672-0.0000 ( 2998 PWs) bands (ev): -2.7440 -2.7440 -2.1669 -2.1669 1.4185 1.4185 1.4664 1.4664 1.5279 1.5279 1.6958 1.6958 1.7061 1.7061 1.8126 1.8126 1.8329 1.8329 1.9270 1.9270 1.9851 1.9851 2.2434 2.2434 3.1694 3.1694 3.5049 3.5049 5.9899 5.9899 6.3115 6.3115 6.5538 6.5538 7.2282 7.2282 8.2035 8.2035 8.7407 8.7407 11.1472 11.1472 13.0582 13.0582 k =-0.4216 0.3760-0.0000 ( 3000 PWs) bands (ev): -2.7027 -2.7027 -2.1821 -2.1821 1.4250 1.4250 1.4656 1.4656 1.5353 1.5353 1.7003 1.7003 1.7123 1.7123 1.8124 1.8124 1.8329 1.8329 1.9353 1.9353 1.9889 1.9889 2.2426 2.2426 3.0832 3.0832 3.4764 3.4764 6.0529 6.0529 6.3813 6.3813 6.5310 6.5310 7.2091 7.2091 8.1225 8.1225 8.6487 8.6487 11.0390 11.0390 13.0371 13.0371 k =-0.4314 0.3847-0.0000 ( 3000 PWs) bands (ev): -2.6639 -2.6639 -2.1971 -2.1971 1.4306 1.4306 1.4648 1.4648 1.5431 1.5431 1.7039 1.7039 1.7197 1.7197 1.8121 1.8121 1.8328 1.8328 1.9442 1.9442 1.9931 1.9931 2.2414 2.2414 3.0021 3.0021 3.4511 3.4511 6.1141 6.1141 6.4424 6.4424 6.5203 6.5203 7.1921 7.1921 8.0332 8.0332 8.5736 8.5736 10.9406 10.9406 13.0184 13.0184 k =-0.4412 0.3934-0.0000 ( 3004 PWs) bands (ev): -2.6281 -2.6281 -2.2118 -2.2118 1.4354 1.4354 1.4640 1.4640 1.5507 1.5507 1.7069 1.7069 1.7279 1.7279 1.8114 1.8114 1.8325 1.8325 1.9533 1.9533 1.9981 1.9981 2.2398 2.2398 2.9273 2.9273 3.4290 3.4290 6.1723 6.1723 6.4625 6.4625 6.5535 6.5535 7.1771 7.1771 7.9374 7.9374 8.5143 8.5143 10.8530 10.8530 13.0022 13.0022 k =-0.4510 0.4022-0.0000 ( 3000 PWs) bands (ev): -2.5957 -2.5957 -2.2259 -2.2259 1.4394 1.4394 1.4632 1.4632 1.5577 1.5577 1.7095 1.7095 1.7364 1.7364 1.8104 1.8104 1.8321 1.8321 1.9618 1.9618 2.0043 2.0043 2.2376 2.2376 2.8599 2.8599 3.4101 3.4101 6.2260 6.2260 6.4529 6.4529 6.6187 6.6187 7.1642 7.1642 7.8388 7.8388 8.4688 8.4688 10.7770 10.7770 12.9886 12.9886 k =-0.4608 0.4109-0.0000 ( 3004 PWs) bands (ev): -2.5673 -2.5673 -2.2392 -2.2392 1.4427 1.4427 1.4624 1.4624 1.5639 1.5639 1.7116 1.7116 1.7447 1.7447 1.8090 1.8090 1.8316 1.8316 1.9690 1.9690 2.0122 2.0122 2.2347 2.2347 2.8015 2.8015 3.3946 3.3946 6.2737 6.2737 6.4401 6.4401 6.6882 6.6882 7.1532 7.1532 7.7418 7.7418 8.4346 8.4346 10.7135 10.7135 12.9774 12.9774 k =-0.4706 0.4197-0.0000 ( 3006 PWs) bands (ev): -2.5434 -2.5434 -2.2511 -2.2511 1.4453 1.4453 1.4616 1.4616 1.5689 1.5689 1.7133 1.7133 1.7524 1.7524 1.8074 1.8074 1.8312 1.8312 1.9744 1.9744 2.0212 2.0212 2.2314 2.2314 2.7535 2.7535 3.3824 3.3824 6.3139 6.3139 6.4282 6.4282 6.7554 6.7554 7.1440 7.1440 7.6518 7.6518 8.4097 8.4097 10.6631 10.6631 12.9687 12.9687 k =-0.4804 0.4284-0.0000 ( 3004 PWs) bands (ev): -2.5252 -2.5252 -2.2607 -2.2607 1.4471 1.4471 1.4610 1.4610 1.5726 1.5726 1.7146 1.7146 1.7588 1.7588 1.8058 1.8058 1.8309 1.8309 1.9778 1.9778 2.0301 2.0301 2.2281 2.2281 2.7176 2.7176 3.3737 3.3737 6.3458 6.3458 6.4173 6.4173 6.8149 6.8149 7.1367 7.1367 7.5755 7.5755 8.3928 8.3928 10.6266 10.6266 12.9625 12.9625 k =-0.4902 0.4372-0.0000 ( 3002 PWs) bands (ev): -2.5136 -2.5136 -2.2670 -2.2670 1.4483 1.4483 1.4605 1.4605 1.5749 1.5749 1.7153 1.7153 1.7631 1.7631 1.8044 1.8044 1.8306 1.8306 1.9797 1.9797 2.0367 2.0367 2.2255 2.2255 2.6953 2.6953 3.3685 3.3685 6.3687 6.3687 6.4074 6.4074 6.8582 6.8582 7.1314 7.1314 7.5226 7.5226 8.3830 8.3830 10.6045 10.6045 12.9587 12.9587 k =-0.5000 0.4459-0.0000 ( 2996 PWs) bands (ev): -2.5096 -2.5096 -2.2693 -2.2693 1.4488 1.4488 1.4603 1.4603 1.5757 1.5757 1.7156 1.7156 1.7647 1.7647 1.8039 1.8039 1.8306 1.8306 1.9804 1.9804 2.0392 2.0392 2.2245 2.2245 2.6878 2.6878 3.3667 3.3667 6.3792 6.3792 6.4013 6.4013 6.8746 6.8746 7.1293 7.1293 7.5032 7.5032 8.3798 8.3798 10.5970 10.5970 12.9575 12.9575 k =-0.5000 0.4459-0.0000 ( 2996 PWs) bands (ev): -2.5096 -2.5096 -2.2693 -2.2693 1.4488 1.4488 1.4603 1.4603 1.5757 1.5757 1.7156 1.7156 1.7647 1.7647 1.8039 1.8039 1.8306 1.8306 1.9804 1.9804 2.0392 2.0392 2.2245 2.2245 2.6878 2.6878 3.3667 3.3667 6.3792 6.3792 6.4013 6.4013 6.8746 6.8746 7.1293 7.1293 7.5032 7.5032 8.3798 8.3798 10.5970 10.5970 12.9575 12.9575 k =-0.4915 0.4555-0.0000 ( 3002 PWs) bands (ev): -2.5088 -2.5088 -2.2710 -2.2710 1.4487 1.4487 1.4604 1.4604 1.5754 1.5754 1.7152 1.7152 1.7645 1.7645 1.8038 1.8038 1.8305 1.8305 1.9801 1.9801 2.0390 2.0390 2.2212 2.2212 2.6834 2.6834 3.3793 3.3793 6.3783 6.3783 6.3989 6.3989 6.8720 6.8720 7.1195 7.1195 7.5056 7.5056 8.3992 8.3992 10.5980 10.5980 12.9636 12.9636 k =-0.4829 0.4650-0.0000 ( 3004 PWs) bands (ev): -2.5066 -2.5066 -2.2761 -2.2761 1.4485 1.4485 1.4605 1.4605 1.5747 1.5747 1.7142 1.7142 1.7641 1.7641 1.8037 1.8037 1.8305 1.8305 1.9795 1.9795 2.0384 2.0384 2.2113 2.2113 2.6718 2.6718 3.4156 3.4156 6.3719 6.3719 6.3955 6.3955 6.8630 6.8630 7.0937 7.0937 7.5131 7.5131 8.4548 8.4548 10.6009 10.6009 12.9820 12.9820 k =-0.4744 0.4746-0.0000 ( 3004 PWs) bands (ev): -2.5028 -2.5028 -2.2847 -2.2847 1.4481 1.4481 1.4608 1.4608 1.5736 1.5736 1.7125 1.7125 1.7635 1.7635 1.8036 1.8036 1.8305 1.8305 1.9783 1.9783 2.0373 2.0373 2.1952 2.1952 2.6566 2.6566 3.4715 3.4715 6.3537 6.3537 6.3971 6.3971 6.8430 6.8430 7.0619 7.0619 7.5264 7.5264 8.5405 8.5405 10.6057 10.6057 13.0124 13.0124 k =-0.4659 0.4842-0.0000 ( 3006 PWs) bands (ev): -2.4976 -2.4976 -2.2966 -2.2966 1.4476 1.4476 1.4611 1.4611 1.5721 1.5721 1.7099 1.7099 1.7626 1.7626 1.8033 1.8033 1.8304 1.8304 1.9767 1.9767 2.0359 2.0359 2.1734 2.1734 2.6418 2.6418 3.5428 3.5428 6.3247 6.3247 6.4024 6.4024 6.8068 6.8068 7.0362 7.0362 7.5461 7.5461 8.6497 8.6497 10.6126 10.6126 13.0546 13.0546 k =-0.4574 0.4937-0.0000 ( 3008 PWs) bands (ev): -2.4909 -2.4909 -2.3119 -2.3119 1.4470 1.4470 1.4616 1.4616 1.5701 1.5701 1.7062 1.7062 1.7614 1.7614 1.8030 1.8030 1.8304 1.8304 1.9745 1.9745 2.0339 2.0339 2.1471 2.1471 2.6299 2.6299 3.6258 3.6258 6.2864 6.2864 6.4093 6.4093 6.7543 6.7543 7.0230 7.0230 7.5722 7.5722 8.7765 8.7765 10.6217 10.6217 13.1083 13.1083 k =-0.4488 0.5033-0.0000 ( 3006 PWs) bands (ev): -2.4829 -2.4829 -2.3305 -2.3305 1.4464 1.4464 1.4620 1.4620 1.5678 1.5678 1.7013 1.7013 1.7600 1.7600 1.8026 1.8026 1.8303 1.8303 1.9717 1.9717 2.0314 2.0314 2.1182 2.1182 2.6223 2.6223 3.7174 3.7174 6.2394 6.2394 6.4163 6.4163 6.6922 6.6922 7.0211 7.0211 7.6050 7.6050 8.9169 8.9169 10.6330 10.6330 13.1732 13.1732 k =-0.4488 0.5033-0.0000 ( 3006 PWs) bands (ev): -2.4829 -2.4829 -2.3305 -2.3305 1.4464 1.4464 1.4620 1.4620 1.5678 1.5678 1.7013 1.7013 1.7600 1.7600 1.8026 1.8026 1.8303 1.8303 1.9717 1.9717 2.0314 2.0314 2.1182 2.1182 2.6223 2.6223 3.7174 3.7174 6.2394 6.2394 6.4163 6.4163 6.6922 6.6922 7.0211 7.0211 7.6050 7.6050 8.9169 8.9169 10.6330 10.6330 13.1732 13.1732 k =-0.4488 0.5033 0.0131 ( 3010 PWs) bands (ev): -2.4824 -2.4824 -2.3302 -2.3302 1.4458 1.4458 1.4623 1.4623 1.5676 1.5676 1.7011 1.7011 1.7597 1.7597 1.8026 1.8026 1.8311 1.8311 1.9715 1.9715 2.0315 2.0315 2.1187 2.1187 2.6234 2.6234 3.7184 3.7184 6.2116 6.2116 6.4038 6.4038 6.7071 6.7071 7.0101 7.0101 7.6311 7.6311 8.9221 8.9221 10.6436 10.6436 13.1802 13.1802 k =-0.4488 0.5033 0.0262 ( 3004 PWs) bands (ev): -2.4809 -2.4809 -2.3291 -2.3291 1.4440 1.4440 1.4631 1.4631 1.5673 1.5673 1.7007 1.7007 1.7589 1.7589 1.8024 1.8024 1.8333 1.8333 1.9709 1.9709 2.0319 2.0319 2.1201 2.1201 2.6269 2.6269 3.7212 3.7212 6.1416 6.1416 6.3629 6.3629 6.7425 6.7425 6.9827 6.9827 7.7030 7.7030 8.9378 8.9378 10.6751 10.6751 13.2014 13.2014 k =-0.4488 0.5033 0.0393 ( 3003 PWs) bands (ev): -2.4784 -2.4784 -2.3274 -2.3274 1.4413 1.4413 1.4641 1.4641 1.5668 1.5668 1.6999 1.6999 1.7576 1.7576 1.8022 1.8022 1.8369 1.8369 1.9699 1.9699 2.0324 2.0324 2.1223 2.1223 2.6327 2.6327 3.7259 3.7259 6.0491 6.0491 6.2959 6.2959 6.7759 6.7759 6.9527 6.9527 7.8079 7.8079 8.9651 8.9651 10.7265 10.7265 13.2364 13.2364 k =-0.4488 0.5033 0.0524 ( 3005 PWs) bands (ev): -2.4751 -2.4751 -2.3250 -2.3250 1.4378 1.4378 1.4651 1.4651 1.5663 1.5663 1.6989 1.6989 1.7560 1.7560 1.8017 1.8017 1.8414 1.8414 1.9687 1.9687 2.0333 2.0333 2.1254 2.1254 2.6408 2.6408 3.7324 3.7324 5.9450 5.9450 6.2108 6.2108 6.7771 6.7771 6.9423 6.9423 7.9352 7.9352 9.0052 9.0052 10.7967 10.7967 13.2850 13.2850 k =-0.4488 0.5033 0.0655 ( 3009 PWs) bands (ev): -2.4707 -2.4707 -2.3220 -2.3220 1.4337 1.4337 1.4661 1.4661 1.5658 1.5658 1.6976 1.6976 1.7543 1.7543 1.8010 1.8010 1.8465 1.8465 1.9673 1.9673 2.0344 2.0344 2.1291 2.1291 2.6514 2.6514 3.7407 3.7407 5.8349 5.8349 6.1148 6.1148 6.7347 6.7347 6.9577 6.9577 8.0780 8.0780 9.0595 9.0595 10.8839 10.8839 13.3464 13.3464 k =-0.4488 0.5033 0.0785 ( 3004 PWs) bands (ev): -2.4655 -2.4655 -2.3184 -2.3184 1.4291 1.4291 1.4670 1.4670 1.5655 1.5655 1.6963 1.6963 1.7525 1.7525 1.8002 1.8002 1.8519 1.8519 1.9658 1.9658 2.0357 2.0357 2.1336 2.1336 2.6645 2.6645 3.7505 3.7505 5.7220 5.7220 6.0133 6.0133 6.6669 6.6669 6.9779 6.9779 8.2320 8.2320 9.1289 9.1289 10.9864 10.9864 13.4203 13.4203 k =-0.4488 0.5033 0.0916 ( 3001 PWs) bands (ev): -2.4594 -2.4594 -2.3142 -2.3142 1.4241 1.4241 1.4677 1.4677 1.5654 1.5654 1.6947 1.6947 1.7507 1.7507 1.7991 1.7991 1.8572 1.8572 1.9645 1.9645 2.0374 2.0374 2.1385 2.1385 2.6802 2.6802 3.7617 3.7617 5.6080 5.6080 5.9099 5.9099 6.5856 6.5856 6.9900 6.9900 8.3945 8.3945 9.2138 9.2138 11.1025 11.1025 13.5059 13.5059 k =-0.4488 0.5033 0.1047 ( 3002 PWs) bands (ev): -2.4525 -2.4525 -2.3094 -2.3094 1.4187 1.4187 1.4681 1.4681 1.5657 1.5657 1.6931 1.6931 1.7488 1.7488 1.7979 1.7979 1.8621 1.8621 1.9633 1.9633 2.0393 2.0393 2.1438 2.1438 2.6987 2.6987 3.7742 3.7742 5.4943 5.4943 5.8071 5.8071 6.4954 6.4954 6.9901 6.9901 8.5638 8.5638 9.3141 9.3141 11.2305 11.2305 13.6024 13.6024 k =-0.4488 0.5033 0.1178 ( 3002 PWs) bands (ev): -2.4448 -2.4448 -2.3043 -2.3043 1.4130 1.4130 1.4683 1.4683 1.5664 1.5664 1.6912 1.6912 1.7469 1.7469 1.7966 1.7966 1.8665 1.8665 1.9623 1.9623 2.0415 2.0415 2.1494 2.1494 2.7199 2.7199 3.7877 3.7877 5.3819 5.3819 5.7066 5.7066 6.3986 6.3986 6.9775 6.9775 8.7387 8.7387 9.4288 9.4288 11.3689 11.3689 13.7093 13.7093 k =-0.4488 0.5033 0.1309 ( 2999 PWs) bands (ev): -2.4364 -2.4364 -2.2987 -2.2987 1.4072 1.4072 1.4682 1.4682 1.5676 1.5676 1.6893 1.6893 1.7451 1.7451 1.7952 1.7952 1.8701 1.8701 1.9616 1.9616 2.0440 2.0440 2.1552 2.1552 2.7441 2.7441 3.8020 3.8020 5.2713 5.2713 5.6098 5.6098 6.2969 6.2969 6.9527 6.9527 8.9182 8.9182 9.5567 9.5567 11.5164 11.5164 13.8257 13.8257 k =-0.4488 0.5033 0.1440 ( 3000 PWs) bands (ev): -2.4273 -2.4273 -2.2928 -2.2928 1.4013 1.4013 1.4678 1.4678 1.5692 1.5692 1.6871 1.6871 1.7433 1.7433 1.7936 1.7936 1.8731 1.8731 1.9612 1.9612 2.0468 2.0468 2.1610 2.1610 2.7713 2.7713 3.8166 3.8166 5.1633 5.1633 5.5178 5.5178 6.1913 6.1913 6.9170 6.9170 9.1017 9.1017 9.6963 9.6963 11.6718 11.6718 13.9510 13.9510 k =-0.4488 0.5033 0.1571 ( 3002 PWs) bands (ev): -2.4176 -2.4176 -2.2866 -2.2866 1.3955 1.3955 1.4670 1.4670 1.5713 1.5713 1.6848 1.6848 1.7416 1.7416 1.7920 1.7920 1.8754 1.8754 1.9610 1.9610 2.0498 2.0498 2.1666 2.1666 2.8015 2.8015 3.8312 3.8312 5.0582 5.0582 5.4313 5.4313 6.0830 6.0830 6.8718 6.8718 9.2885 9.2885 9.8460 9.8460 11.8339 11.8339 14.0844 14.0844 k =-0.4488 0.5033 0.1702 ( 2999 PWs) bands (ev): -2.4073 -2.4073 -2.2803 -2.2803 1.3897 1.3897 1.4659 1.4659 1.5737 1.5737 1.6823 1.6823 1.7400 1.7400 1.7904 1.7904 1.8770 1.8770 1.9610 1.9610 2.0531 2.0531 2.1720 2.1720 2.8349 2.8349 3.8454 3.8454 4.9565 4.9565 5.3513 5.3513 5.9729 5.9729 6.8185 6.8185 9.4782 9.4782 10.0043 10.0043 12.0018 12.0018 14.2253 14.2253 k =-0.4488 0.5033 0.1833 ( 2997 PWs) bands (ev): -2.3966 -2.3966 -2.2738 -2.2738 1.3843 1.3843 1.4643 1.4643 1.5765 1.5765 1.6796 1.6796 1.7385 1.7385 1.7888 1.7888 1.8782 1.8782 1.9610 1.9610 2.0567 2.0567 2.1770 2.1770 2.8715 2.8715 3.8587 3.8587 4.8584 4.8584 5.2785 5.2785 5.8618 5.8618 6.7585 6.7585 9.6702 9.6702 10.1698 10.1698 12.1746 12.1746 14.3731 14.3731 k =-0.4488 0.5033 0.1964 ( 2997 PWs) bands (ev): -2.3856 -2.3856 -2.2673 -2.2673 1.3791 1.3791 1.4624 1.4624 1.5796 1.5796 1.6767 1.6767 1.7372 1.7372 1.7872 1.7872 1.8791 1.8791 1.9609 1.9609 2.0605 2.0605 2.1814 2.1814 2.9113 2.9113 3.8704 3.8704 4.7643 4.7643 5.2134 5.2134 5.7505 5.7505 6.6930 6.6930 9.8640 9.8640 10.3409 10.3409 12.3515 12.3515 14.5272 14.5272 k =-0.4488 0.5033 0.2095 ( 3003 PWs) bands (ev): -2.3742 -2.3742 -2.2610 -2.2610 1.3744 1.3744 1.4600 1.4600 1.5829 1.5829 1.6736 1.6736 1.7361 1.7361 1.7856 1.7856 1.8798 1.8798 1.9607 1.9607 2.0646 2.0646 2.1852 2.1852 2.9543 2.9543 3.8802 3.8802 4.6745 4.6745 5.1564 5.1564 5.6399 5.6399 6.6232 6.6232 10.0593 10.0593 10.5166 10.5166 12.5318 12.5318 14.6870 14.6870 k =-0.4488 0.5033 0.2225 ( 2997 PWs) bands (ev): -2.3627 -2.3627 -2.2547 -2.2547 1.3701 1.3701 1.4572 1.4572 1.5863 1.5863 1.6704 1.6704 1.7352 1.7352 1.7841 1.7841 1.8804 1.8804 1.9602 1.9602 2.0689 2.0689 2.1884 2.1884 3.0005 3.0005 3.8875 3.8875 4.5891 4.5891 5.1075 5.1075 5.5311 5.5311 6.5499 6.5499 10.2553 10.2553 10.6955 10.6955 12.7146 12.7146 14.8519 14.8519 k =-0.4488 0.5033 0.2356 ( 3002 PWs) bands (ev): -2.3510 -2.3510 -2.2488 -2.2488 1.3664 1.3664 1.4540 1.4540 1.5898 1.5898 1.6670 1.6670 1.7345 1.7345 1.7826 1.7826 1.8811 1.8811 1.9594 1.9594 2.0735 2.0735 2.1909 2.1909 3.0498 3.0498 3.8920 3.8920 4.5084 4.5084 5.0660 5.0660 5.4258 5.4258 6.4739 6.4739 10.4516 10.4516 10.8763 10.8763 12.8992 12.8992 15.0214 15.0214 k =-0.4488 0.5033 0.2487 ( 2998 PWs) bands (ev): -2.3393 -2.3393 -2.2432 -2.2432 1.3633 1.3633 1.4503 1.4503 1.5932 1.5932 1.6635 1.6635 1.7342 1.7342 1.7812 1.7812 1.8819 1.8819 1.9583 1.9583 2.0783 2.0783 2.1925 2.1925 3.1021 3.1021 3.8935 3.8935 4.4326 4.4326 5.0293 5.0293 5.3270 5.3270 6.3961 6.3961 10.6473 10.6473 11.0578 11.0578 13.0850 13.0850 15.1950 15.1950 k =-0.4488 0.5033 0.2618 ( 3000 PWs) bands (ev): -2.3277 -2.3277 -2.2380 -2.2380 1.3609 1.3609 1.4462 1.4462 1.5966 1.5966 1.6599 1.6599 1.7342 1.7342 1.7798 1.7798 1.8830 1.8830 1.9568 1.9568 2.0832 2.0832 2.1934 2.1934 3.1573 3.1573 3.8921 3.8921 4.3618 4.3618 4.9914 4.9914 5.2411 5.2411 6.3169 6.3169 10.8418 10.8418 11.2383 11.2383 13.2710 13.2710 15.3720 15.3720 k =-0.4488 0.5033 0.2749 ( 3000 PWs) bands (ev): -2.3162 -2.3162 -2.2334 -2.2334 1.3592 1.3592 1.4416 1.4416 1.5998 1.5998 1.6563 1.6563 1.7345 1.7345 1.7784 1.7784 1.8844 1.8844 1.9549 1.9549 2.0884 2.0884 2.1935 2.1935 3.2153 3.2153 3.8882 3.8882 4.2964 4.2964 4.9418 4.9418 5.1787 5.1787 6.2369 6.2369 11.0340 11.0340 11.4163 11.4163 13.4564 13.4564 15.5519 15.5519 k =-0.4488 0.5033 0.2880 ( 3002 PWs) bands (ev): -2.3051 -2.3051 -2.2294 -2.2294 1.3583 1.3583 1.4367 1.4367 1.6028 1.6028 1.6528 1.6528 1.7352 1.7352 1.7771 1.7771 1.8861 1.8861 1.9526 1.9526 2.0938 2.0938 2.1928 2.1928 3.2759 3.2759 3.8822 3.8822 4.2363 4.2363 4.8724 4.8724 5.1477 5.1477 6.1566 6.1566 11.2228 11.2228 11.5897 11.5897 13.6404 13.6404 15.7337 15.7337 k =-0.4488 0.5033 0.3011 ( 3002 PWs) bands (ev): -2.2943 -2.2943 -2.2261 -2.2261 1.3582 1.3582 1.4314 1.4314 1.6057 1.6057 1.6493 1.6493 1.7361 1.7361 1.7759 1.7759 1.8882 1.8882 1.9500 1.9500 2.0993 2.0993 2.1914 2.1914 3.3388 3.3388 3.8749 3.8749 4.1820 4.1820 4.7877 4.7877 5.1431 5.1431 6.0765 6.0765 11.4068 11.4068 11.7561 11.7561 13.8222 13.8222 15.9161 15.9161 k =-0.4488 0.5033 0.3142 ( 3000 PWs) bands (ev): -2.2840 -2.2840 -2.2235 -2.2235 1.3588 1.3588 1.4257 1.4257 1.6083 1.6083 1.6458 1.6458 1.7373 1.7373 1.7746 1.7746 1.8907 1.8907 1.9470 1.9470 2.1049 2.1049 2.1894 2.1894 3.4036 3.4036 3.8671 3.8671 4.1337 4.1337 4.6955 4.6955 5.1565 5.1565 5.9969 5.9969 11.5842 11.5842 11.9127 11.9127 14.0009 14.0009 16.0939 16.0939 k =-0.4488 0.5033 0.3273 ( 2992 PWs) bands (ev): -2.2742 -2.2742 -2.2218 -2.2218 1.3602 1.3602 1.4199 1.4199 1.6108 1.6108 1.6425 1.6425 1.7387 1.7387 1.7734 1.7734 1.8936 1.8936 1.9438 1.9438 2.1106 2.1106 2.1868 2.1868 3.4698 3.4698 3.8594 3.8594 4.0920 4.0920 4.6011 4.6011 5.1823 5.1823 5.9182 5.9182 11.7531 11.7531 12.0560 12.0560 14.1758 14.1758 16.1775 16.1775 k =-0.4488 0.5033 0.3404 ( 2990 PWs) bands (ev): -2.2650 -2.2650 -2.2210 -2.2210 1.3624 1.3624 1.4138 1.4138 1.6132 1.6132 1.6393 1.6393 1.7402 1.7402 1.7722 1.7722 1.8968 1.8968 1.9402 1.9402 2.1162 2.1162 2.1837 2.1837 3.5363 3.5363 3.8524 3.8524 4.0576 4.0576 4.5071 4.5071 5.2175 5.2175 5.8408 5.8408 11.9107 11.9107 12.1821 12.1821 14.3467 14.3467 16.0378 16.0378 k =-0.4488 0.5033 0.3534 ( 2998 PWs) bands (ev): -2.2566 -2.2566 -2.2211 -2.2211 1.3652 1.3652 1.4076 1.4076 1.6154 1.6154 1.6363 1.6363 1.7417 1.7417 1.7710 1.7710 1.9002 1.9002 1.9364 1.9364 2.1216 2.1216 2.1802 2.1802 3.6015 3.6015 3.8465 3.8465 4.0322 4.0322 4.4151 4.4151 5.2601 5.2601 5.7650 5.7650 12.0542 12.0542 12.2866 12.2866 14.5137 14.5137 15.8679 15.8679 k =-0.4488 0.5033 0.3665 ( 3000 PWs) bands (ev): -2.2489 -2.2489 -2.2222 -2.2222 1.3687 1.3687 1.4015 1.4015 1.6176 1.6176 1.6334 1.6334 1.7430 1.7430 1.7700 1.7700 1.9039 1.9039 1.9325 1.9325 2.1266 2.1266 2.1767 2.1767 3.6625 3.6625 3.8415 3.8415 4.0185 4.0185 4.3268 4.3268 5.3088 5.3088 5.6911 5.6911 12.1800 12.1800 12.3651 12.3651 14.6778 14.6778 15.6916 15.6916 k =-0.4488 0.5033 0.3796 ( 3000 PWs) bands (ev): -2.2421 -2.2421 -2.2242 -2.2242 1.3728 1.3728 1.3955 1.3955 1.6197 1.6197 1.6308 1.6308 1.7442 1.7442 1.7692 1.7692 1.9076 1.9076 1.9286 1.9286 2.1309 2.1309 2.1735 2.1735 3.7142 3.7142 3.8368 3.8368 4.0206 4.0206 4.2441 4.2441 5.3629 5.3629 5.6194 5.6194 12.2840 12.2840 12.4138 12.4138 14.8404 14.8404 15.5149 15.5149 k =-0.4488 0.5033 0.3927 ( 2998 PWs) bands (ev): -2.2362 -2.2362 -2.2272 -2.2272 1.3771 1.3771 1.3900 1.3900 1.6216 1.6216 1.6286 1.6286 1.7449 1.7449 1.7687 1.7687 1.9109 1.9109 1.9252 1.9252 2.1340 2.1340 2.1711 2.1711 3.7501 3.7501 3.8321 3.8321 4.0418 4.0418 4.1715 4.1715 5.4214 5.4214 5.5505 5.5505 12.3621 12.3621 12.4304 12.4304 15.0036 15.0036 15.3412 15.3412 k =-0.4488 0.5033 0.4058 ( 2994 PWs) bands (ev): -2.2314 -2.2314 -2.2310 -2.2310 1.3800 1.3800 1.3867 1.3867 1.6225 1.6225 1.6276 1.6276 1.7452 1.7452 1.7685 1.7685 1.9125 1.9125 1.9237 1.9237 2.1351 2.1351 2.1702 2.1702 3.7633 3.7633 3.8296 3.8296 4.0653 4.0653 4.1304 4.1304 5.4787 5.4787 5.4897 5.4897 12.4042 12.4042 12.4203 12.4203 15.1547 15.1547 15.1861 15.1861 k =-0.4488 0.5033 0.4058 ( 2994 PWs) bands (ev): -2.2314 -2.2314 -2.2310 -2.2310 1.3800 1.3800 1.3867 1.3867 1.6225 1.6225 1.6276 1.6276 1.7452 1.7452 1.7685 1.7685 1.9125 1.9125 1.9237 1.9237 2.1351 2.1351 2.1702 2.1702 3.7633 3.7633 3.8296 3.8296 4.0653 4.0653 4.1304 4.1304 5.4787 5.4787 5.4897 5.4897 12.4042 12.4042 12.4203 12.4203 15.1547 15.1547 15.1861 15.1861 k =-0.4574 0.4937 0.4058 ( 2994 PWs) bands (ev): -2.2285 -2.2285 -2.2282 -2.2282 1.3810 1.3810 1.3867 1.3867 1.6263 1.6263 1.6312 1.6312 1.7493 1.7493 1.7682 1.7682 1.9145 1.9145 1.9241 1.9241 2.1472 2.1472 2.1772 2.1772 3.8140 3.8140 3.8829 3.8829 4.0778 4.0778 4.1472 4.1472 5.3396 5.3396 5.3478 5.3478 12.4057 12.4057 12.4192 12.4192 15.2245 15.2245 15.2508 15.2508 k =-0.4659 0.4842 0.4058 ( 3002 PWs) bands (ev): -2.2262 -2.2262 -2.2260 -2.2260 1.3820 1.3820 1.3864 1.3864 1.6296 1.6296 1.6339 1.6339 1.7528 1.7528 1.7677 1.7677 1.9164 1.9164 1.9242 1.9242 2.1579 2.1579 2.1824 2.1824 3.8539 3.8539 3.9147 3.9147 4.1171 4.1171 4.1797 4.1797 5.2088 5.2088 5.2141 5.2141 12.4069 12.4069 12.4177 12.4177 15.2875 15.2875 15.3088 15.3088 k =-0.4744 0.4746 0.4058 ( 3010 PWs) bands (ev): -2.2245 -2.2245 -2.2243 -2.2243 1.3828 1.3828 1.3862 1.3862 1.6323 1.6323 1.6357 1.6357 1.7559 1.7559 1.7669 1.7669 1.9182 1.9182 1.9240 1.9240 2.1669 2.1669 2.1856 2.1856 3.8816 3.8816 3.9262 3.9262 4.1789 4.1789 4.2263 4.2263 5.0893 5.0893 5.0919 5.0919 12.4081 12.4081 12.4162 12.4162 15.3414 15.3414 15.3574 15.3574 k =-0.4829 0.4650 0.4058 ( 3014 PWs) bands (ev): -2.2233 -2.2233 -2.2231 -2.2231 1.3836 1.3836 1.3858 1.3858 1.6344 1.6344 1.6368 1.6368 1.7586 1.7586 1.7658 1.7658 1.9197 1.9197 1.9236 1.9236 2.1744 2.1744 2.1870 2.1870 3.8993 3.8993 3.9272 3.9272 4.2474 4.2474 4.2787 4.2787 4.9870 4.9870 4.9873 4.9873 12.4092 12.4092 12.4146 12.4146 15.3833 15.3833 15.3941 15.3941 k =-0.4915 0.4555 0.4058 ( 3016 PWs) bands (ev): -2.2225 -2.2225 -2.2224 -2.2224 1.3842 1.3842 1.3854 1.3854 1.6360 1.6360 1.6372 1.6372 1.7609 1.7609 1.7645 1.7645 1.9210 1.9210 1.9230 1.9230 2.1802 2.1802 2.1866 2.1866 3.9106 3.9106 3.9238 3.9238 4.3056 4.3056 4.3214 4.3214 4.9122 4.9122 4.9129 4.9129 12.4104 12.4104 12.4131 12.4131 15.4107 15.4107 15.4161 15.4161 k =-0.5000 0.4459 0.4058 ( 3012 PWs) bands (ev): -2.2222 -2.2222 -2.2222 -2.2222 1.3849 1.3849 1.3849 1.3849 1.6369 1.6369 1.6369 1.6369 1.7629 1.7629 1.7629 1.7629 1.9221 1.9221 1.9221 1.9221 2.1843 2.1843 2.1843 2.1843 3.9183 3.9183 3.9183 3.9183 4.3340 4.3340 4.3340 4.3340 4.8842 4.8842 4.8842 4.8842 12.4117 12.4117 12.4117 12.4117 15.4219 15.4219 15.4219 15.4219 k =-0.5000 0.4459 0.4058 ( 3012 PWs) bands (ev): -2.2222 -2.2222 -2.2222 -2.2222 1.3849 1.3849 1.3849 1.3849 1.6369 1.6369 1.6369 1.6369 1.7629 1.7629 1.7629 1.7629 1.9221 1.9221 1.9221 1.9221 2.1843 2.1843 2.1843 2.1843 3.9183 3.9183 3.9183 3.9183 4.3340 4.3340 4.3340 4.3340 4.8842 4.8842 4.8842 4.8842 12.4117 12.4117 12.4117 12.4117 15.4219 15.4219 15.4219 15.4219 k =-0.5000 0.4459 0.3927 ( 3012 PWs) bands (ev): -2.2296 -2.2296 -2.2158 -2.2158 1.3795 1.3795 1.3905 1.3905 1.6341 1.6341 1.6398 1.6398 1.7604 1.7604 1.7653 1.7653 1.9176 1.9176 1.9267 1.9267 2.1756 2.1756 2.1931 2.1931 3.8429 3.8429 3.9898 3.9898 4.3310 4.3310 4.3478 4.3478 4.8095 4.8095 4.9621 4.9621 12.3524 12.3524 12.4404 12.4404 15.2409 15.2409 15.6019 15.6019 k =-0.5000 0.4459 0.3796 ( 3004 PWs) bands (ev): -2.2378 -2.2378 -2.2103 -2.2103 1.3747 1.3747 1.3965 1.3965 1.6313 1.6313 1.6429 1.6429 1.7578 1.7578 1.7677 1.7677 1.9133 1.9133 1.9312 1.9312 2.1669 2.1669 2.2019 2.2019 3.7662 3.7662 4.0540 4.0540 4.3375 4.3375 4.3745 4.3745 4.7389 4.7389 5.0426 5.0426 12.2653 12.2653 12.4369 12.4369 15.0587 15.0587 15.7803 15.7803 k =-0.5000 0.4459 0.3665 ( 3004 PWs) bands (ev): -2.2469 -2.2469 -2.2057 -2.2057 1.3704 1.3704 1.4027 1.4027 1.6286 1.6286 1.6461 1.6461 1.7553 1.7553 1.7699 1.7699 1.9091 1.9091 1.9357 1.9357 2.1584 2.1584 2.2106 2.2106 3.6895 3.6895 4.1068 4.1068 4.3522 4.3522 4.4160 4.4160 4.6747 4.6747 5.1251 5.1251 12.1540 12.1540 12.4012 12.4012 14.8748 14.8748 15.9549 15.9549 k =-0.5000 0.4459 0.3534 ( 3000 PWs) bands (ev): -2.2568 -2.2568 -2.2021 -2.2021 1.3668 1.3668 1.4089 1.4089 1.6259 1.6259 1.6494 1.6494 1.7528 1.7528 1.7720 1.7720 1.9052 1.9052 1.9400 1.9400 2.1501 2.1501 2.2190 2.2190 3.6140 3.6140 4.1455 4.1455 4.3745 4.3745 4.4698 4.4698 4.6220 4.6220 5.2094 5.2094 12.0225 12.0225 12.3353 12.3353 14.6884 14.6884 16.1202 16.1202 k =-0.5000 0.4459 0.3404 ( 3008 PWs) bands (ev): -2.2673 -2.2673 -2.1995 -2.1995 1.3637 1.3637 1.4151 1.4151 1.6231 1.6231 1.6528 1.6528 1.7504 1.7504 1.7740 1.7740 1.9016 1.9016 1.9441 1.9441 2.1420 2.1420 2.2271 2.2271 3.5402 3.5402 4.1689 4.1689 4.4035 4.4035 4.5138 4.5138 4.6046 4.6046 5.2952 5.2952 11.8743 11.8743 12.2422 12.2422 14.4993 14.4993 16.1920 16.1920 k =-0.5000 0.4459 0.3273 ( 3004 PWs) bands (ev): -2.2785 -2.2785 -2.1978 -2.1978 1.3614 1.3614 1.4213 1.4213 1.6202 1.6202 1.6564 1.6564 1.7482 1.7482 1.7758 1.7758 1.8984 1.8984 1.9479 1.9479 2.1342 2.1342 2.2348 2.2348 3.4686 3.4686 4.1756 4.1756 4.4379 4.4379 4.5116 4.5116 4.6610 4.6610 5.3823 5.3823 11.7128 11.7128 12.1257 12.1257 14.3076 14.3076 16.0192 16.0192 k =-0.5000 0.4459 0.3142 ( 2996 PWs) bands (ev): -2.2902 -2.2902 -2.1970 -2.1970 1.3599 1.3599 1.4273 1.4273 1.6173 1.6173 1.6600 1.6600 1.7463 1.7463 1.7775 1.7775 1.8956 1.8956 1.9514 1.9514 2.1267 2.1267 2.2419 2.2419 3.3995 3.3995 4.1638 4.1638 4.4744 4.4744 4.5113 4.5113 4.7479 4.7479 5.4704 5.4704 11.5408 11.5408 11.9898 11.9898 14.1134 14.1134 15.8312 15.8312 k =-0.5000 0.4459 0.3011 ( 2996 PWs) bands (ev): -2.3023 -2.3023 -2.1970 -2.1970 1.3591 1.3591 1.4330 1.4330 1.6141 1.6141 1.6637 1.6637 1.7446 1.7446 1.7791 1.7791 1.8932 1.8932 1.9546 1.9546 2.1195 2.1195 2.2485 2.2485 3.3330 3.3330 4.1349 4.1349 4.5042 4.5042 4.5411 4.5411 4.8444 4.8444 5.5593 5.5593 11.3606 11.3606 11.8385 11.8385 13.9175 13.9175 15.6435 15.6435 k =-0.5000 0.4459 0.2880 ( 3000 PWs) bands (ev): -2.3149 -2.3149 -2.1979 -2.1979 1.3591 1.3591 1.4383 1.4383 1.6108 1.6108 1.6675 1.6675 1.7433 1.7433 1.7806 1.7806 1.8913 1.8913 1.9575 1.9575 2.1127 2.1127 2.2544 2.2544 3.2695 3.2695 4.0940 4.0940 4.5363 4.5363 4.5908 4.5908 4.9462 4.9462 5.6489 5.6489 11.1743 11.1743 11.6750 11.6750 13.7203 13.7203 15.4576 15.4576 k =-0.5000 0.4459 0.2749 ( 2994 PWs) bands (ev): -2.3277 -2.3277 -2.1995 -2.1995 1.3598 1.3598 1.4433 1.4433 1.6073 1.6073 1.6713 1.6713 1.7424 1.7424 1.7821 1.7821 1.8897 1.8897 1.9600 1.9600 2.1061 2.1061 2.2595 2.2595 3.2090 3.2090 4.0463 4.0463 4.5785 4.5785 4.6487 4.6487 5.0517 5.0517 5.7389 5.7389 10.9834 10.9834 11.5023 11.5023 13.5226 13.5226 15.2744 15.2744 k =-0.5000 0.4459 0.2618 ( 2998 PWs) bands (ev): -2.3407 -2.3407 -2.2017 -2.2017 1.3613 1.3613 1.4480 1.4480 1.6037 1.6037 1.6751 1.6751 1.7419 1.7419 1.7835 1.7835 1.8885 1.8885 1.9621 1.9621 2.0999 2.0999 2.2637 2.2637 3.1518 3.1518 3.9954 3.9954 4.6298 4.6298 4.7127 4.7127 5.1599 5.1599 5.8291 5.8291 10.7893 10.7893 11.3228 11.3228 13.3251 13.3251 15.0945 15.0945 k =-0.5000 0.4459 0.2487 ( 3006 PWs) bands (ev): -2.3537 -2.3537 -2.2046 -2.2046 1.3635 1.3635 1.4521 1.4521 1.6000 1.6000 1.6788 1.6788 1.7417 1.7417 1.7848 1.7848 1.8875 1.8875 1.9638 1.9638 2.0939 2.0939 2.2670 2.2670 3.0979 3.0979 3.9435 3.9435 4.6890 4.6890 4.7821 4.7821 5.2703 5.2703 5.9192 5.9192 10.5931 10.5931 11.1385 11.1385 13.1284 13.1284 14.9183 14.9183 k =-0.5000 0.4459 0.2356 ( 3002 PWs) bands (ev): -2.3668 -2.3668 -2.2080 -2.2080 1.3664 1.3664 1.4559 1.4559 1.5962 1.5962 1.6825 1.6825 1.7419 1.7419 1.7862 1.7862 1.8868 1.8868 1.9652 1.9652 2.0883 2.0883 2.2693 2.2693 3.0475 3.0475 3.8917 3.8917 4.7552 4.7552 4.8565 4.8565 5.3822 5.3822 6.0089 6.0089 10.3957 10.3957 10.9510 10.9510 12.9332 12.9332 14.7463 14.7463 k =-0.5000 0.4459 0.2225 ( 3000 PWs) bands (ev): -2.3797 -2.3797 -2.2119 -2.2119 1.3699 1.3699 1.4592 1.4592 1.5924 1.5924 1.6860 1.6860 1.7424 1.7424 1.7876 1.7876 1.8863 1.8863 1.9663 1.9663 2.0830 2.0830 2.2706 2.2706 3.0006 3.0006 3.8409 3.8409 4.8277 4.8277 4.9358 4.9358 5.4953 5.4953 6.0980 6.0980 10.1978 10.1978 10.7617 10.7617 12.7400 12.7400 14.5790 14.5790 k =-0.5000 0.4459 0.2095 ( 2998 PWs) bands (ev): -2.3925 -2.3925 -2.2161 -2.2161 1.3740 1.3740 1.4620 1.4620 1.5887 1.5887 1.6894 1.6894 1.7431 1.7431 1.7890 1.7890 1.8857 1.8857 1.9670 1.9670 2.0781 2.0781 2.2709 2.2709 2.9574 2.9574 3.7916 3.7916 4.9060 4.9060 5.0196 5.0196 5.6091 5.6091 6.1862 6.1862 10.0002 10.0002 10.5718 10.5718 12.5496 12.5496 14.4168 14.4168 k =-0.5000 0.4459 0.1964 ( 2998 PWs) bands (ev): -2.4049 -2.4049 -2.2205 -2.2205 1.3786 1.3786 1.4644 1.4644 1.5852 1.5852 1.6926 1.6926 1.7441 1.7441 1.7905 1.7905 1.8850 1.8850 1.9676 1.9676 2.0734 2.0734 2.2701 2.2701 2.9179 2.9179 3.7442 3.7442 4.9899 4.9899 5.1077 5.1077 5.7231 5.7231 6.2731 6.2731 9.8033 9.8033 10.3822 10.3822 12.3625 12.3625 14.2602 14.2602 k =-0.5000 0.4459 0.1833 ( 2994 PWs) bands (ev): -2.4170 -2.4170 -2.2252 -2.2252 1.3837 1.3837 1.4664 1.4664 1.5820 1.5820 1.6956 1.6956 1.7453 1.7453 1.7920 1.7920 1.8840 1.8840 1.9680 1.9680 2.0690 2.0690 2.2684 2.2684 2.8821 2.8821 3.6988 3.6988 5.0790 5.0790 5.1997 5.1997 5.8367 5.8367 6.3584 6.3584 9.6078 9.6078 10.1940 10.1940 12.1794 12.1794 14.1097 14.1097 k =-0.5000 0.4459 0.1702 ( 2996 PWs) bands (ev): -2.4286 -2.4286 -2.2299 -2.2299 1.3891 1.3891 1.4679 1.4679 1.5791 1.5791 1.6984 1.6984 1.7466 1.7466 1.7935 1.7935 1.8826 1.8826 1.9684 1.9684 2.0649 2.0649 2.2659 2.2659 2.8500 2.8500 3.6558 3.6558 5.1729 5.1729 5.2954 5.2954 5.9494 5.9494 6.4417 6.4417 9.4140 9.4140 10.0079 10.0079 12.0009 12.0009 13.9658 13.9658 k =-0.5000 0.4459 0.1571 ( 2996 PWs) bands (ev): -2.4397 -2.4397 -2.2347 -2.2347 1.3948 1.3948 1.4691 1.4691 1.5766 1.5766 1.7010 1.7010 1.7480 1.7480 1.7950 1.7950 1.8805 1.8805 1.9688 1.9688 2.0610 2.0610 2.2626 2.2626 2.8214 2.8214 3.6152 3.6152 5.2714 5.2714 5.3942 5.3942 6.0603 6.0603 6.5227 6.5227 9.2225 9.2225 9.8248 9.8248 11.8279 11.8279 13.8291 13.8291 k =-0.5000 0.4459 0.1440 ( 2992 PWs) bands (ev): -2.4501 -2.4501 -2.2394 -2.2394 1.4006 1.4006 1.4698 1.4698 1.5745 1.5745 1.7033 1.7033 1.7495 1.7495 1.7965 1.7965 1.8778 1.8778 1.9694 1.9694 2.0575 2.0575 2.2587 2.2587 2.7963 2.7963 3.5773 3.5773 5.3740 5.3740 5.4958 5.4958 6.1687 6.1687 6.6009 6.6009 9.0337 9.0337 9.6456 9.6456 11.6611 11.6611 13.7000 13.7000 k =-0.5000 0.4459 0.1309 ( 2992 PWs) bands (ev): -2.4599 -2.4599 -2.2439 -2.2439 1.4065 1.4065 1.4701 1.4701 1.5730 1.5730 1.7054 1.7054 1.7510 1.7510 1.7979 1.7979 1.8743 1.8743 1.9701 1.9701 2.0543 2.0543 2.2544 2.2544 2.7745 2.7745 3.5421 3.5421 5.4803 5.4803 5.5994 5.5994 6.2735 6.2735 6.6760 6.6760 8.8481 8.8481 9.4712 9.4712 11.5015 11.5015 13.5793 13.5793 k =-0.5000 0.4459 0.1178 ( 2982 PWs) bands (ev): -2.4690 -2.4690 -2.2483 -2.2483 1.4124 1.4124 1.4701 1.4701 1.5720 1.5720 1.7073 1.7073 1.7526 1.7526 1.7993 1.7993 1.8700 1.8700 1.9711 1.9711 2.0515 2.0515 2.2499 2.2499 2.7557 2.7557 3.5098 3.5098 5.5897 5.5897 5.7044 5.7044 6.3736 6.3736 6.7475 6.7475 8.6662 8.6662 9.3026 9.3026 11.3501 11.3501 13.4674 13.4674 k =-0.5000 0.4459 0.1047 ( 2986 PWs) bands (ev): -2.4772 -2.4772 -2.2524 -2.2524 1.4182 1.4182 1.4697 1.4697 1.5716 1.5716 1.7089 1.7089 1.7542 1.7542 1.8005 1.8005 1.8650 1.8650 1.9722 1.9722 2.0489 2.0489 2.2454 2.2454 2.7398 2.7398 3.4805 3.4805 5.7014 5.7014 5.8097 5.8097 6.4677 6.4677 6.8152 6.8152 8.4887 8.4887 9.1412 9.1412 11.2082 11.2082 13.3651 13.3651 k =-0.5000 0.4459 0.0916 ( 2990 PWs) bands (ev): -2.4846 -2.4846 -2.2561 -2.2561 1.4237 1.4237 1.4690 1.4690 1.5715 1.5715 1.7104 1.7104 1.7559 1.7559 1.8016 1.8016 1.8594 1.8594 1.9736 1.9736 2.0466 2.0466 2.2410 2.2410 2.7264 2.7264 3.4544 3.4544 5.8144 5.8144 5.9142 5.9142 6.5542 6.5542 6.8786 6.8786 8.3164 8.3164 8.9885 8.9885 11.0770 11.0770 13.2728 13.2728 k =-0.5000 0.4459 0.0785 ( 3000 PWs) bands (ev): -2.4911 -2.4911 -2.2595 -2.2595 1.4290 1.4290 1.4680 1.4680 1.5719 1.5719 1.7117 1.7117 1.7575 1.7575 1.8024 1.8024 1.8535 1.8535 1.9750 1.9750 2.0446 2.0446 2.2369 2.2369 2.7154 2.7154 3.4315 3.4315 5.9272 5.9272 6.0162 6.0162 6.6318 6.6318 6.9372 6.9372 8.1506 8.1506 8.8464 8.8464 10.9582 10.9582 13.1914 13.1914 k =-0.5000 0.4459 0.0655 ( 2994 PWs) bands (ev): -2.4967 -2.4967 -2.2624 -2.2624 1.4339 1.4339 1.4668 1.4668 1.5726 1.5726 1.7128 1.7128 1.7592 1.7592 1.8032 1.8032 1.8477 1.8477 1.9764 1.9764 2.0430 2.0430 2.2333 2.2333 2.7065 2.7065 3.4119 3.4119 6.0375 6.0375 6.1138 6.1138 6.6994 6.6994 6.9903 6.9903 7.9929 7.9929 8.7172 8.7172 10.8533 10.8533 13.1213 13.1213 k =-0.5000 0.4459 0.0524 ( 2996 PWs) bands (ev): -2.5013 -2.5013 -2.2648 -2.2648 1.4383 1.4383 1.4654 1.4654 1.5734 1.5734 1.7138 1.7138 1.7608 1.7608 1.8037 1.8037 1.8421 1.8421 1.9777 1.9777 2.0416 2.0416 2.2302 2.2302 2.6995 2.6995 3.3957 3.3957 6.1419 6.1419 6.2040 6.2040 6.7563 6.7563 7.0370 7.0370 7.8461 7.8461 8.6040 8.6040 10.7642 10.7642 13.0630 13.0630 k =-0.5000 0.4459 0.0393 ( 2996 PWs) bands (ev): -2.5049 -2.5049 -2.2667 -2.2667 1.4423 1.4423 1.4638 1.4638 1.5743 1.5743 1.7145 1.7145 1.7623 1.7623 1.8039 1.8039 1.8374 1.8374 1.9788 1.9788 2.0406 2.0406 2.2278 2.2278 2.6943 2.6943 3.3831 3.3831 6.2353 6.2353 6.2832 6.2832 6.8029 6.8029 7.0757 7.0757 7.7145 7.7145 8.5101 8.5101 10.6925 10.6925 13.0172 13.0172 k =-0.5000 0.4459 0.0262 ( 2996 PWs) bands (ev): -2.5075 -2.5075 -2.2682 -2.2682 1.4455 1.4455 1.4622 1.4622 1.5750 1.5750 1.7151 1.7151 1.7635 1.7635 1.8040 1.8040 1.8337 1.8337 1.9797 1.9797 2.0398 2.0398 2.2260 2.2260 2.6907 2.6907 3.3740 3.3740 6.3110 6.3110 6.3463 6.3463 6.8395 6.8395 7.1050 7.1050 7.6055 7.6055 8.4392 8.4392 10.6400 10.6400 12.9841 12.9841 k =-0.5000 0.4459 0.0131 ( 2998 PWs) bands (ev): -2.5090 -2.5090 -2.2690 -2.2690 1.4479 1.4479 1.4609 1.4609 1.5755 1.5755 1.7155 1.7155 1.7644 1.7644 1.8039 1.8039 1.8313 1.8313 1.9802 1.9802 2.0394 2.0394 2.2249 2.2249 2.6885 2.6885 3.3685 3.3685 6.3613 6.3613 6.3872 6.3872 6.8650 6.8650 7.1231 7.1231 7.5305 7.5305 8.3949 8.3949 10.6079 10.6079 12.9642 12.9642 k =-0.5000 0.4459-0.0000 ( 2996 PWs) bands (ev): -2.5096 -2.5096 -2.2693 -2.2693 1.4488 1.4488 1.4603 1.4603 1.5757 1.5757 1.7156 1.7156 1.7647 1.7647 1.8039 1.8039 1.8306 1.8306 1.9804 1.9804 2.0392 2.0392 2.2245 2.2245 2.6878 2.6878 3.3667 3.3667 6.3792 6.3792 6.4013 6.4013 6.8746 6.8746 7.1293 7.1293 7.5032 7.5032 8.3798 8.3798 10.5970 10.5970 12.9575 12.9575 k = 0.0000 0.0000 0.4058 ( 3024 PWs) bands (ev): -3.1989 -3.1989 -3.1989 -3.1989 1.4065 1.4065 1.4065 1.4065 1.4645 1.4645 1.4645 1.4645 1.7441 1.7441 1.7441 1.7441 1.8728 1.8728 1.8728 1.8728 1.9477 1.9477 1.9477 1.9477 5.3475 5.3475 5.3475 5.3475 6.5788 6.5788 6.5788 6.5788 7.0487 7.0487 7.0487 7.0487 11.2532 11.2532 11.2532 11.2532 12.6925 12.6925 12.6925 12.6925 k =-0.0098 0.0087 0.4058 ( 3024 PWs) bands (ev): -3.1980 -3.1980 -3.1980 -3.1980 1.4064 1.4064 1.4064 1.4064 1.4645 1.4645 1.4645 1.4645 1.7439 1.7439 1.7439 1.7439 1.8729 1.8729 1.8729 1.8729 1.9477 1.9477 1.9477 1.9477 5.3389 5.3389 5.3389 5.3389 6.5798 6.5798 6.5798 6.5798 7.0552 7.0552 7.0552 7.0552 11.2534 11.2534 11.2534 11.2534 12.6976 12.6976 12.6976 12.6976 k =-0.0196 0.0175 0.4058 ( 3024 PWs) bands (ev): -3.1954 -3.1954 -3.1954 -3.1954 1.4062 1.4062 1.4062 1.4062 1.4645 1.4645 1.4645 1.4645 1.7434 1.7434 1.7434 1.7434 1.8731 1.8731 1.8731 1.8731 1.9477 1.9477 1.9477 1.9477 5.3138 5.3138 5.3138 5.3138 6.5819 6.5819 6.5819 6.5819 7.0750 7.0750 7.0750 7.0750 11.2539 11.2539 11.2539 11.2539 12.7128 12.7128 12.7128 12.7128 k =-0.0294 0.0262 0.4058 ( 3032 PWs) bands (ev): -3.1909 -3.1909 -3.1909 -3.1909 1.4058 1.4058 1.4058 1.4058 1.4646 1.4646 1.4646 1.4646 1.7427 1.7427 1.7427 1.7427 1.8733 1.8733 1.8733 1.8733 1.9476 1.9476 1.9476 1.9476 5.2741 5.2741 5.2741 5.2741 6.5826 6.5826 6.5826 6.5826 7.1086 7.1086 7.1086 7.1086 11.2546 11.2546 11.2546 11.2546 12.7380 12.7380 12.7380 12.7380 k =-0.0392 0.0350 0.4058 ( 3032 PWs) bands (ev): -3.1848 -3.1848 -3.1848 -3.1848 1.4053 1.4053 1.4053 1.4053 1.4646 1.4646 1.4646 1.4646 1.7416 1.7416 1.7416 1.7416 1.8737 1.8737 1.8737 1.8737 1.9476 1.9476 1.9476 1.9476 5.2224 5.2224 5.2224 5.2224 6.5792 6.5792 6.5792 6.5792 7.1560 7.1560 7.1560 7.1560 11.2551 11.2551 11.2551 11.2551 12.7731 12.7731 12.7731 12.7731 k =-0.0490 0.0437 0.4058 ( 3028 PWs) bands (ev): -3.1769 -3.1769 -3.1769 -3.1769 1.4046 1.4046 1.4046 1.4046 1.4647 1.4647 1.4647 1.4647 1.7402 1.7402 1.7402 1.7402 1.8743 1.8743 1.8743 1.8743 1.9476 1.9476 1.9476 1.9476 5.1615 5.1615 5.1615 5.1615 6.5698 6.5698 6.5698 6.5698 7.2163 7.2163 7.2163 7.2163 11.2549 11.2549 11.2549 11.2549 12.8178 12.8178 12.8178 12.8178 k =-0.0588 0.0525 0.4058 ( 3028 PWs) bands (ev): -3.1672 -3.1672 -3.1672 -3.1672 1.4038 1.4038 1.4038 1.4038 1.4649 1.4649 1.4649 1.4649 1.7386 1.7386 1.7386 1.7386 1.8749 1.8749 1.8749 1.8749 1.9476 1.9476 1.9476 1.9476 5.0939 5.0939 5.0939 5.0939 6.5538 6.5538 6.5538 6.5538 7.2875 7.2875 7.2875 7.2875 11.2536 11.2536 11.2536 11.2536 12.8719 12.8719 12.8719 12.8719 k =-0.0686 0.0612 0.4058 ( 3026 PWs) bands (ev): -3.1559 -3.1559 -3.1559 -3.1559 1.4029 1.4029 1.4029 1.4029 1.4650 1.4650 1.4650 1.4650 1.7368 1.7368 1.7368 1.7368 1.8756 1.8756 1.8756 1.8756 1.9476 1.9476 1.9476 1.9476 5.0215 5.0215 5.0215 5.0215 6.5313 6.5313 6.5313 6.5313 7.3672 7.3672 7.3672 7.3672 11.2501 11.2501 11.2501 11.2501 12.9350 12.9350 12.9350 12.9350 k =-0.0784 0.0699 0.4058 ( 3002 PWs) bands (ev): -3.1430 -3.1430 -3.1430 -3.1430 1.4019 1.4019 1.4019 1.4019 1.4653 1.4653 1.4653 1.4653 1.7348 1.7348 1.7348 1.7348 1.8764 1.8764 1.8764 1.8764 1.9476 1.9476 1.9476 1.9476 4.9463 4.9463 4.9463 4.9463 6.5031 6.5031 6.5031 6.5031 7.4529 7.4529 7.4529 7.4529 11.2437 11.2437 11.2437 11.2437 13.0067 13.0067 13.0067 13.0067 k =-0.0882 0.0787 0.4058 ( 3002 PWs) bands (ev): -3.1284 -3.1284 -3.1284 -3.1284 1.4007 1.4007 1.4007 1.4007 1.4655 1.4655 1.4655 1.4655 1.7325 1.7325 1.7325 1.7325 1.8772 1.8772 1.8772 1.8772 1.9477 1.9477 1.9477 1.9477 4.8693 4.8693 4.8693 4.8693 6.4696 6.4696 6.4696 6.4696 7.5420 7.5420 7.5420 7.5420 11.2332 11.2332 11.2332 11.2332 13.0864 13.0864 13.0864 13.0864 k =-0.0980 0.0874 0.4058 ( 2998 PWs) bands (ev): -3.1122 -3.1122 -3.1122 -3.1122 1.3994 1.3994 1.3994 1.3994 1.4658 1.4658 1.4658 1.4658 1.7300 1.7300 1.7300 1.7300 1.8781 1.8781 1.8781 1.8781 1.9478 1.9478 1.9478 1.9478 4.7918 4.7918 4.7918 4.7918 6.4316 6.4316 6.4316 6.4316 7.6324 7.6324 7.6324 7.6324 11.2174 11.2174 11.2174 11.2174 13.1723 13.1723 13.1723 13.1723 k =-0.1078 0.0962 0.4058 ( 2998 PWs) bands (ev): -3.0946 -3.0946 -3.0946 -3.0946 1.3980 1.3980 1.3980 1.3980 1.4661 1.4661 1.4661 1.4661 1.7274 1.7274 1.7274 1.7274 1.8790 1.8790 1.8790 1.8790 1.9480 1.9480 1.9480 1.9480 4.7144 4.7144 4.7144 4.7144 6.3898 6.3898 6.3898 6.3898 7.7218 7.7218 7.7218 7.7218 11.1953 11.1953 11.1953 11.1953 13.1984 13.1984 13.1984 13.1984 k =-0.1176 0.1049 0.4058 ( 2998 PWs) bands (ev): -3.0754 -3.0754 -3.0754 -3.0754 1.3965 1.3965 1.3965 1.3965 1.4665 1.4665 1.4665 1.4665 1.7247 1.7247 1.7247 1.7247 1.8800 1.8800 1.8800 1.8800 1.9482 1.9482 1.9482 1.9482 4.6379 4.6379 4.6379 4.6379 6.3446 6.3446 6.3446 6.3446 7.8079 7.8079 7.8079 7.8079 11.1662 11.1662 11.1662 11.1662 13.1100 13.1100 13.1100 13.1100 k =-0.1275 0.1137 0.4058 ( 3004 PWs) bands (ev): -3.0549 -3.0549 -3.0549 -3.0549 1.3949 1.3949 1.3949 1.3949 1.4670 1.4670 1.4670 1.4670 1.7220 1.7220 1.7220 1.7220 1.8809 1.8809 1.8809 1.8809 1.9486 1.9486 1.9486 1.9486 4.5628 4.5628 4.5628 4.5628 6.2967 6.2967 6.2967 6.2967 7.8886 7.8886 7.8886 7.8886 11.1300 11.1300 11.1300 11.1300 13.0360 13.0360 13.0360 13.0360 k =-0.1373 0.1224 0.4058 ( 3008 PWs) bands (ev): -3.0330 -3.0330 -3.0330 -3.0330 1.3932 1.3932 1.3932 1.3932 1.4676 1.4676 1.4676 1.4676 1.7192 1.7192 1.7192 1.7192 1.8819 1.8819 1.8819 1.8819 1.9490 1.9490 1.9490 1.9490 4.4894 4.4894 4.4894 4.4894 6.2465 6.2465 6.2465 6.2465 7.9613 7.9613 7.9613 7.9613 11.0879 11.0879 11.0879 11.0879 12.9820 12.9820 12.9820 12.9820 k =-0.1471 0.1311 0.4058 ( 3004 PWs) bands (ev): -3.0098 -3.0098 -3.0098 -3.0098 1.3915 1.3915 1.3915 1.3915 1.4683 1.4683 1.4683 1.4683 1.7165 1.7165 1.7165 1.7165 1.8828 1.8828 1.8828 1.8828 1.9495 1.9495 1.9495 1.9495 4.4180 4.4180 4.4180 4.4180 6.1943 6.1943 6.1943 6.1943 8.0236 8.0236 8.0236 8.0236 11.0418 11.0418 11.0418 11.0418 12.9492 12.9492 12.9492 12.9492 k =-0.1569 0.1399 0.4058 ( 3006 PWs) bands (ev): -2.9855 -2.9855 -2.9855 -2.9855 1.3898 1.3898 1.3898 1.3898 1.4691 1.4691 1.4691 1.4691 1.7138 1.7138 1.7138 1.7138 1.8838 1.8838 1.8838 1.8838 1.9502 1.9502 1.9502 1.9502 4.3489 4.3489 4.3489 4.3489 6.1406 6.1406 6.1406 6.1406 8.0728 8.0728 8.0728 8.0728 10.9950 10.9950 10.9950 10.9950 12.9371 12.9371 12.9371 12.9371 k =-0.1667 0.1486 0.4058 ( 2998 PWs) bands (ev): -2.9600 -2.9600 -2.9600 -2.9600 1.3881 1.3881 1.3881 1.3881 1.4702 1.4702 1.4702 1.4702 1.7112 1.7112 1.7112 1.7112 1.8847 1.8847 1.8847 1.8847 1.9511 1.9511 1.9511 1.9511 4.2824 4.2824 4.2824 4.2824 6.0857 6.0857 6.0857 6.0857 8.1062 8.1062 8.1062 8.1062 10.9512 10.9512 10.9512 10.9512 12.9448 12.9448 12.9448 12.9448 k =-0.1765 0.1574 0.4058 ( 2994 PWs) bands (ev): -2.9336 -2.9336 -2.9336 -2.9336 1.3863 1.3863 1.3863 1.3863 1.4714 1.4714 1.4714 1.4714 1.7088 1.7088 1.7088 1.7088 1.8856 1.8856 1.8856 1.8856 1.9520 1.9520 1.9520 1.9520 4.2185 4.2185 4.2185 4.2185 6.0299 6.0299 6.0299 6.0299 8.1215 8.1215 8.1215 8.1215 10.9144 10.9144 10.9144 10.9144 12.9707 12.9707 12.9707 12.9707 k =-0.1863 0.1661 0.4058 ( 2996 PWs) bands (ev): -2.9062 -2.9062 -2.9062 -2.9062 1.3845 1.3845 1.3845 1.3845 1.4729 1.4729 1.4729 1.4729 1.7065 1.7065 1.7065 1.7065 1.8864 1.8864 1.8864 1.8864 1.9532 1.9532 1.9532 1.9532 4.1574 4.1574 4.1574 4.1574 5.9735 5.9735 5.9735 5.9735 8.1167 8.1167 8.1167 8.1167 10.8880 10.8880 10.8880 10.8880 13.0133 13.0133 13.0133 13.0133 k =-0.1961 0.1749 0.4058 ( 2996 PWs) bands (ev): -2.8780 -2.8780 -2.8780 -2.8780 1.3829 1.3829 1.3829 1.3829 1.4746 1.4746 1.4746 1.4746 1.7045 1.7045 1.7045 1.7045 1.8873 1.8873 1.8873 1.8873 1.9545 1.9545 1.9545 1.9545 4.0991 4.0991 4.0991 4.0991 5.9168 5.9168 5.9168 5.9168 8.0908 8.0908 8.0908 8.0908 10.8746 10.8746 10.8746 10.8746 13.0710 13.0710 13.0710 13.0710 k =-0.2059 0.1836 0.4058 ( 3004 PWs) bands (ev): -2.8490 -2.8490 -2.8490 -2.8490 1.3812 1.3812 1.3812 1.3812 1.4767 1.4767 1.4767 1.4767 1.7028 1.7028 1.7028 1.7028 1.8880 1.8880 1.8880 1.8880 1.9561 1.9561 1.9561 1.9561 4.0438 4.0438 4.0438 4.0438 5.8601 5.8601 5.8601 5.8601 8.0439 8.0439 8.0439 8.0439 10.8754 10.8754 10.8754 10.8754 13.1425 13.1425 13.1425 13.1425 k =-0.2157 0.1924 0.4058 ( 3008 PWs) bands (ev): -2.8195 -2.8195 -2.8195 -2.8195 1.3797 1.3797 1.3797 1.3797 1.4791 1.4791 1.4791 1.4791 1.7013 1.7013 1.7013 1.7013 1.8887 1.8887 1.8887 1.8887 1.9578 1.9578 1.9578 1.9578 3.9915 3.9915 3.9915 3.9915 5.8034 5.8034 5.8034 5.8034 7.9767 7.9767 7.9767 7.9767 10.8908 10.8908 10.8908 10.8908 13.2265 13.2265 13.2265 13.2265 k =-0.2255 0.2011 0.4058 ( 3008 PWs) bands (ev): -2.7895 -2.7895 -2.7895 -2.7895 1.3784 1.3784 1.3784 1.3784 1.4819 1.4819 1.4819 1.4819 1.7002 1.7002 1.7002 1.7002 1.8894 1.8894 1.8894 1.8894 1.9598 1.9598 1.9598 1.9598 3.9423 3.9423 3.9423 3.9423 5.7471 5.7471 5.7471 5.7471 7.8912 7.8912 7.8912 7.8912 10.9197 10.9197 10.9197 10.9197 13.3220 13.3220 13.3220 13.3220 k =-0.2353 0.2098 0.4058 ( 3008 PWs) bands (ev): -2.7591 -2.7591 -2.7591 -2.7591 1.3772 1.3772 1.3772 1.3772 1.4851 1.4851 1.4851 1.4851 1.6995 1.6995 1.6995 1.6995 1.8901 1.8901 1.8901 1.8901 1.9620 1.9620 1.9620 1.9620 3.8961 3.8961 3.8961 3.8961 5.6914 5.6914 5.6914 5.6914 7.7896 7.7896 7.7896 7.7896 10.9606 10.9606 10.9606 10.9606 13.4281 13.4281 13.4281 13.4281 k =-0.2451 0.2186 0.4058 ( 3018 PWs) bands (ev): -2.7285 -2.7285 -2.7285 -2.7285 1.3761 1.3761 1.3761 1.3761 1.4889 1.4889 1.4889 1.4889 1.6991 1.6991 1.6991 1.6991 1.8908 1.8908 1.8908 1.8908 1.9645 1.9645 1.9645 1.9645 3.8530 3.8530 3.8530 3.8530 5.6364 5.6364 5.6364 5.6364 7.6744 7.6744 7.6744 7.6744 11.0116 11.0116 11.0116 11.0116 13.5439 13.5439 13.5439 13.5439 k =-0.2549 0.2273 0.4058 ( 3022 PWs) bands (ev): -2.6977 -2.6977 -2.6977 -2.6977 1.3753 1.3753 1.3753 1.3753 1.4932 1.4932 1.4932 1.4932 1.6991 1.6991 1.6991 1.6991 1.8915 1.8915 1.8915 1.8915 1.9673 1.9673 1.9673 1.9673 3.8129 3.8129 3.8129 3.8129 5.5822 5.5822 5.5822 5.5822 7.5480 7.5480 7.5480 7.5480 11.0707 11.0707 11.0707 11.0707 13.6686 13.6686 13.6686 13.6686 k =-0.2647 0.2361 0.4058 ( 3022 PWs) bands (ev): -2.6670 -2.6670 -2.6670 -2.6670 1.3747 1.3747 1.3747 1.3747 1.4980 1.4980 1.4980 1.4980 1.6996 1.6996 1.6996 1.6996 1.8922 1.8922 1.8922 1.8922 1.9704 1.9704 1.9704 1.9704 3.7760 3.7760 3.7760 3.7760 5.5290 5.5290 5.5290 5.5290 7.4128 7.4128 7.4128 7.4128 11.1361 11.1361 11.1361 11.1361 13.8013 13.8013 13.8013 13.8013 k =-0.2745 0.2448 0.4058 ( 3022 PWs) bands (ev): -2.6364 -2.6364 -2.6364 -2.6364 1.3743 1.3743 1.3743 1.3743 1.5035 1.5035 1.5035 1.5035 1.7005 1.7005 1.7005 1.7005 1.8930 1.8930 1.8930 1.8930 1.9739 1.9739 1.9739 1.9739 3.7422 3.7422 3.7422 3.7422 5.4770 5.4770 5.4770 5.4770 7.2707 7.2707 7.2707 7.2707 11.2061 11.2061 11.2061 11.2061 13.9412 13.9412 13.9412 13.9412 k =-0.2843 0.2536 0.4058 ( 3022 PWs) bands (ev): -2.6061 -2.6061 -2.6061 -2.6061 1.3741 1.3741 1.3741 1.3741 1.5096 1.5096 1.5096 1.5096 1.7019 1.7019 1.7019 1.7019 1.8938 1.8938 1.8938 1.8938 1.9778 1.9778 1.9778 1.9778 3.7116 3.7116 3.7116 3.7116 5.4263 5.4263 5.4263 5.4263 7.1236 7.1236 7.1236 7.1236 11.2794 11.2794 11.2794 11.2794 14.0870 14.0870 14.0870 14.0870 k =-0.2941 0.2623 0.4058 ( 3022 PWs) bands (ev): -2.5763 -2.5763 -2.5763 -2.5763 1.3742 1.3742 1.3742 1.3742 1.5163 1.5163 1.5163 1.5163 1.7036 1.7036 1.7036 1.7036 1.8947 1.8947 1.8947 1.8947 1.9822 1.9822 1.9822 1.9822 3.6841 3.6841 3.6841 3.6841 5.3769 5.3769 5.3769 5.3769 6.9728 6.9728 6.9728 6.9728 11.3548 11.3548 11.3548 11.3548 14.2376 14.2376 14.2376 14.2376 k =-0.3039 0.2710 0.4058 ( 3014 PWs) bands (ev): -2.5469 -2.5469 -2.5469 -2.5469 1.3744 1.3744 1.3744 1.3744 1.5236 1.5236 1.5236 1.5236 1.7059 1.7059 1.7059 1.7059 1.8957 1.8957 1.8957 1.8957 1.9871 1.9871 1.9871 1.9871 3.6598 3.6598 3.6598 3.6598 5.3290 5.3290 5.3290 5.3290 6.8197 6.8197 6.8197 6.8197 11.4313 11.4313 11.4313 11.4313 14.3912 14.3912 14.3912 14.3912 k =-0.3137 0.2798 0.4058 ( 3014 PWs) bands (ev): -2.5183 -2.5183 -2.5183 -2.5183 1.3748 1.3748 1.3748 1.3748 1.5313 1.5313 1.5313 1.5313 1.7085 1.7085 1.7085 1.7085 1.8968 1.8968 1.8968 1.8968 1.9927 1.9927 1.9927 1.9927 3.6387 3.6387 3.6387 3.6387 5.2827 5.2827 5.2827 5.2827 6.6654 6.6654 6.6654 6.6654 11.5081 11.5081 11.5081 11.5081 14.5455 14.5455 14.5455 14.5455 k =-0.3235 0.2885 0.4058 ( 3006 PWs) bands (ev): -2.4904 -2.4904 -2.4904 -2.4904 1.3753 1.3753 1.3753 1.3753 1.5396 1.5396 1.5396 1.5396 1.7116 1.7116 1.7116 1.7116 1.8981 1.8981 1.8981 1.8981 1.9989 1.9989 1.9989 1.9989 3.6210 3.6210 3.6210 3.6210 5.2380 5.2380 5.2380 5.2380 6.5108 6.5108 6.5108 6.5108 11.5844 11.5844 11.5844 11.5844 14.6972 14.6972 14.6972 14.6972 k =-0.3333 0.2973 0.4058 ( 3006 PWs) bands (ev): -2.4635 -2.4635 -2.4635 -2.4635 1.3759 1.3759 1.3759 1.3759 1.5481 1.5481 1.5481 1.5481 1.7150 1.7150 1.7150 1.7150 1.8994 1.8994 1.8994 1.8994 2.0060 2.0060 2.0060 2.0060 3.6066 3.6066 3.6066 3.6066 5.1949 5.1949 5.1949 5.1949 6.3566 6.3566 6.3566 6.3566 11.6598 11.6598 11.6598 11.6598 14.8416 14.8416 14.8416 14.8416 k =-0.3431 0.3060 0.4058 ( 3014 PWs) bands (ev): -2.4376 -2.4376 -2.4376 -2.4376 1.3766 1.3766 1.3766 1.3766 1.5568 1.5568 1.5568 1.5568 1.7188 1.7188 1.7188 1.7188 1.9009 1.9009 1.9009 1.9009 2.0139 2.0139 2.0139 2.0139 3.5958 3.5958 3.5958 3.5958 5.1535 5.1535 5.1535 5.1535 6.2038 6.2038 6.2038 6.2038 11.7338 11.7338 11.7338 11.7338 14.9718 14.9718 14.9718 14.9718 k =-0.3529 0.3148 0.4058 ( 3010 PWs) bands (ev): -2.4128 -2.4128 -2.4128 -2.4128 1.3773 1.3773 1.3773 1.3773 1.5656 1.5656 1.5656 1.5656 1.7229 1.7229 1.7229 1.7229 1.9025 1.9025 1.9025 1.9025 2.0228 2.0228 2.0228 2.0228 3.5886 3.5886 3.5886 3.5886 5.1138 5.1138 5.1138 5.1138 6.0528 6.0528 6.0528 6.0528 11.8058 11.8058 11.8058 11.8058 15.0806 15.0806 15.0806 15.0806 k =-0.3627 0.3235 0.4058 ( 3006 PWs) bands (ev): -2.3893 -2.3893 -2.3893 -2.3893 1.3781 1.3781 1.3781 1.3781 1.5742 1.5742 1.5742 1.5742 1.7271 1.7271 1.7271 1.7271 1.9043 1.9043 1.9043 1.9043 2.0327 2.0327 2.0327 2.0327 3.5852 3.5852 3.5852 3.5852 5.0756 5.0756 5.0756 5.0756 5.9046 5.9046 5.9046 5.9046 11.8754 11.8754 11.8754 11.8754 15.1630 15.1630 15.1630 15.1630 k =-0.3725 0.3322 0.4058 ( 3006 PWs) bands (ev): -2.3670 -2.3670 -2.3670 -2.3670 1.3789 1.3789 1.3789 1.3789 1.5826 1.5826 1.5826 1.5826 1.7315 1.7315 1.7315 1.7315 1.9061 1.9061 1.9061 1.9061 2.0438 2.0438 2.0438 2.0438 3.5857 3.5857 3.5857 3.5857 5.0389 5.0389 5.0389 5.0389 5.7596 5.7596 5.7596 5.7596 11.9423 11.9423 11.9423 11.9423 15.2205 15.2205 15.2205 15.2205 k =-0.3824 0.3410 0.4058 ( 3008 PWs) bands (ev): -2.3462 -2.3462 -2.3462 -2.3462 1.3797 1.3797 1.3797 1.3797 1.5905 1.5905 1.5905 1.5905 1.7358 1.7358 1.7358 1.7358 1.9079 1.9079 1.9079 1.9079 2.0559 2.0559 2.0559 2.0559 3.5903 3.5903 3.5903 3.5903 5.0032 5.0032 5.0032 5.0032 5.6189 5.6189 5.6189 5.6189 12.0061 12.0061 12.0061 12.0061 15.2594 15.2594 15.2594 15.2594 k =-0.3922 0.3497 0.4058 ( 3008 PWs) bands (ev): -2.3268 -2.3268 -2.3268 -2.3268 1.3804 1.3804 1.3804 1.3804 1.5979 1.5979 1.5979 1.5979 1.7400 1.7400 1.7400 1.7400 1.9098 1.9098 1.9098 1.9098 2.0690 2.0690 2.0690 2.0690 3.5993 3.5993 3.5993 3.5993 4.9681 4.9681 4.9681 4.9681 5.4835 5.4835 5.4835 5.4835 12.0664 12.0664 12.0664 12.0664 15.2867 15.2867 15.2867 15.2867 k =-0.4020 0.3585 0.4058 ( 3012 PWs) bands (ev): -2.3090 -2.3090 -2.3090 -2.3090 1.3811 1.3811 1.3811 1.3811 1.6048 1.6048 1.6048 1.6048 1.7440 1.7440 1.7440 1.7440 1.9117 1.9117 1.9117 1.9117 2.0829 2.0829 2.0829 2.0829 3.6129 3.6129 3.6129 3.6129 4.9323 4.9323 4.9323 4.9323 5.3552 5.3552 5.3552 5.3552 12.1229 12.1229 12.1229 12.1229 15.3074 15.3074 15.3074 15.3074 k =-0.4118 0.3672 0.4058 ( 3008 PWs) bands (ev): -2.2927 -2.2927 -2.2927 -2.2927 1.3818 1.3818 1.3818 1.3818 1.6110 1.6110 1.6110 1.6110 1.7477 1.7477 1.7477 1.7477 1.9135 1.9135 1.9135 1.9135 2.0973 2.0973 2.0973 2.0973 3.6312 3.6312 3.6312 3.6312 4.8937 4.8937 4.8937 4.8937 5.2365 5.2365 5.2365 5.2365 12.1752 12.1752 12.1752 12.1752 15.3247 15.3247 15.3247 15.3247 k =-0.4216 0.3760 0.4058 ( 3008 PWs) bands (ev): -2.2780 -2.2780 -2.2780 -2.2780 1.3824 1.3824 1.3824 1.3824 1.6165 1.6165 1.6165 1.6165 1.7510 1.7510 1.7510 1.7510 1.9152 1.9152 1.9152 1.9152 2.1119 2.1119 2.1119 2.1119 3.6544 3.6544 3.6544 3.6544 4.8481 4.8481 4.8481 4.8481 5.1322 5.1322 5.1322 5.1322 12.2230 12.2230 12.2230 12.2230 15.3404 15.3404 15.3404 15.3404 k =-0.4314 0.3847 0.4058 ( 3008 PWs) bands (ev): -2.2651 -2.2651 -2.2651 -2.2651 1.3830 1.3830 1.3830 1.3830 1.6214 1.6214 1.6214 1.6214 1.7539 1.7539 1.7539 1.7539 1.9167 1.9167 1.9167 1.9167 2.1262 2.1262 2.1262 2.1262 3.6825 3.6825 3.6825 3.6825 4.7900 4.7900 4.7900 4.7900 5.0486 5.0486 5.0486 5.0486 12.2659 12.2659 12.2659 12.2659 15.3553 15.3553 15.3553 15.3553 k =-0.4412 0.3934 0.4058 ( 3002 PWs) bands (ev): -2.2537 -2.2537 -2.2537 -2.2537 1.3835 1.3835 1.3835 1.3835 1.6256 1.6256 1.6256 1.6256 1.7564 1.7564 1.7564 1.7564 1.9181 1.9181 1.9181 1.9181 2.1399 2.1399 2.1399 2.1399 3.7155 3.7155 3.7155 3.7155 4.7169 4.7169 4.7169 4.7169 4.9888 4.9888 4.9888 4.9888 12.3038 12.3038 12.3038 12.3038 15.3696 15.3696 15.3696 15.3696 k =-0.4510 0.4022 0.4058 ( 2990 PWs) bands (ev): -2.2441 -2.2441 -2.2441 -2.2441 1.3839 1.3839 1.3839 1.3839 1.6291 1.6291 1.6291 1.6291 1.7585 1.7585 1.7585 1.7585 1.9193 1.9193 1.9193 1.9193 2.1524 2.1524 2.1524 2.1524 3.7528 3.7528 3.7528 3.7528 4.6337 4.6337 4.6337 4.6337 4.9489 4.9489 4.9489 4.9489 12.3363 12.3363 12.3363 12.3363 15.3833 15.3833 15.3833 15.3833 k =-0.4608 0.4109 0.4058 ( 2986 PWs) bands (ev): -2.2363 -2.2363 -2.2363 -2.2363 1.3843 1.3843 1.3843 1.3843 1.6320 1.6320 1.6320 1.6320 1.7601 1.7601 1.7601 1.7601 1.9204 1.9204 1.9204 1.9204 2.1634 2.1634 2.1634 2.1634 3.7935 3.7935 3.7935 3.7935 4.5486 4.5486 4.5486 4.5486 4.9224 4.9224 4.9224 4.9224 12.3632 12.3632 12.3632 12.3632 15.3958 15.3958 15.3958 15.3958 k =-0.4706 0.4197 0.4058 ( 2992 PWs) bands (ev): -2.2301 -2.2301 -2.2301 -2.2301 1.3845 1.3845 1.3845 1.3845 1.6342 1.6342 1.6342 1.6342 1.7614 1.7614 1.7614 1.7614 1.9211 1.9211 1.9211 1.9211 2.1723 2.1723 2.1723 2.1723 3.8357 3.8357 3.8357 3.8357 4.4685 4.4685 4.4685 4.4685 4.9046 4.9046 4.9046 4.9046 12.3843 12.3843 12.3843 12.3843 15.4066 15.4066 15.4066 15.4066 k =-0.4804 0.4284 0.4058 ( 2996 PWs) bands (ev): -2.2257 -2.2257 -2.2257 -2.2257 1.3847 1.3847 1.3847 1.3847 1.6357 1.6357 1.6357 1.6357 1.7622 1.7622 1.7622 1.7622 1.9217 1.9217 1.9217 1.9217 2.1789 2.1789 2.1789 2.1789 3.8756 3.8756 3.8756 3.8756 4.4001 4.4001 4.4001 4.4001 4.8930 4.8930 4.8930 4.8930 12.3995 12.3995 12.3995 12.3995 15.4149 15.4149 15.4149 15.4149 k =-0.4902 0.4372 0.4058 ( 3004 PWs) bands (ev): -2.2231 -2.2231 -2.2231 -2.2231 1.3848 1.3848 1.3848 1.3848 1.6366 1.6366 1.6366 1.6366 1.7627 1.7627 1.7627 1.7627 1.9220 1.9220 1.9220 1.9220 2.1830 2.1830 2.1830 2.1830 3.9063 3.9063 3.9063 3.9063 4.3519 4.3519 4.3519 4.3519 4.8864 4.8864 4.8864 4.8864 12.4086 12.4086 12.4086 12.4086 15.4201 15.4201 15.4201 15.4201 k =-0.5000 0.4459 0.4058 ( 3012 PWs) bands (ev): -2.2222 -2.2222 -2.2222 -2.2222 1.3849 1.3849 1.3849 1.3849 1.6369 1.6369 1.6369 1.6369 1.7629 1.7629 1.7629 1.7629 1.9221 1.9221 1.9221 1.9221 2.1843 2.1843 2.1843 2.1843 3.9183 3.9183 3.9183 3.9183 4.3340 4.3340 4.3340 4.3340 4.8842 4.8842 4.8842 4.8842 12.4117 12.4117 12.4117 12.4117 15.4219 15.4219 15.4219 15.4219 Writing output data file ZnTe.save init_run : 0.24s CPU 0.58s WALL ( 1 calls) electrons : 121.07s CPU 126.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 121.06s CPU 126.61s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 422 calls) cegterg : 108.32s CPU 110.04s WALL ( 473 calls) Called by sum_band: Called by *egterg: h_psi : 61.80s CPU 63.64s WALL ( 8024 calls) s_psi : 4.40s CPU 4.51s WALL ( 8024 calls) g_psi : 0.19s CPU 0.17s WALL ( 7129 calls) cdiaghg : 39.90s CPU 39.83s WALL ( 7551 calls) cegterg:over : 3.96s CPU 3.99s WALL ( 7129 calls) cegterg:upda : 2.66s CPU 2.88s WALL ( 7129 calls) cegterg:last : 1.78s CPU 1.81s WALL ( 1317 calls) cdiaghg:chol : 2.25s CPU 2.16s WALL ( 7551 calls) cdiaghg:inve : 1.06s CPU 1.21s WALL ( 7551 calls) cdiaghg:para : 2.39s CPU 2.34s WALL ( 15102 calls) Called by h_psi: h_psi:vloc : 52.15s CPU 53.88s WALL ( 8024 calls) h_psi:vnl : 9.50s CPU 9.59s WALL ( 8024 calls) add_vuspsi : 5.27s CPU 5.23s WALL ( 8024 calls) General routines calbec : 4.22s CPU 4.34s WALL ( 8024 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.04s CPU 50.67s WALL ( 752468 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.20s WALL ( 844 calls) Parallel routines fft_scatter : 19.38s CPU 20.17s WALL ( 752491 calls) PWSCF : 2m16.48s CPU 3m15.79s WALL This run was terminated on: 21:21:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=