Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:28:59 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: ./SrGa2.save/ file Ga.rel-pbe-dnl-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 34 22 7 1042 567 91 Max 35 23 8 1046 577 97 Sum 1225 823 253 37607 20623 3381 bravais-lattice index = 14 lattice parameter (alat) = 8.2090 a.u. unit-cell volume = 521.8570 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.208970 celldm(2)= 1.000000 celldm(3)= 1.089319 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.089319 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.918005 ) PseudoPot. # 1 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 Sr 10.00 87.62000 Sr( 1.00) Ga 13.00 69.72300 Ga( 1.00) 24 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 343 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0029155 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0029155 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0029155 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0029155 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0029155 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0029155 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0029155 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0029155 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0029155 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0029155 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0029155 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0029155 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0029155 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0029155 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0029155 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0029155 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0029155 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0029155 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0029155 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0029155 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0029155 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0029155 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0029155 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0029155 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0029155 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0029155 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0029155 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0029155 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0029155 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0029155 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0029155 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0029155 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0029155 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0029155 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0029155 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0029155 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0029155 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0029155 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0029155 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0029155 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0029155 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029155 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029155 k( 45) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0029155 k( 46) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0029155 k( 47) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0029155 k( 48) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0029155 k( 49) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0029155 k( 50) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0029155 k( 51) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0029155 k( 52) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0029155 k( 53) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0029155 k( 54) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0029155 k( 55) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0029155 k( 56) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0029155 k( 57) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0029155 k( 58) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0029155 k( 59) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0029155 k( 60) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0029155 k( 61) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0029155 k( 62) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0029155 k( 63) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0029155 k( 64) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0029155 k( 65) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0029155 k( 66) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0029155 k( 67) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0029155 k( 68) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0029155 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029155 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029155 k( 71) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0029155 k( 72) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0029155 k( 73) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0029155 k( 74) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0029155 k( 75) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0029155 k( 76) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0029155 k( 77) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0029155 k( 78) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0029155 k( 79) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0029155 k( 80) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0029155 k( 81) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0029155 k( 82) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0029155 k( 83) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0029155 k( 84) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0029155 k( 85) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0029155 k( 86) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0029155 k( 87) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0029155 k( 88) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0029155 k( 89) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0029155 k( 90) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0029155 k( 91) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0029155 k( 92) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0029155 k( 93) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0029155 k( 94) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0029155 k( 95) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0029155 k( 96) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0029155 k( 97) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0029155 k( 98) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0029155 k( 99) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0029155 k( 100) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0029155 k( 101) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0029155 k( 102) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0029155 k( 103) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0029155 k( 104) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0029155 k( 105) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0029155 k( 106) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0029155 k( 107) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0029155 k( 108) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0029155 k( 109) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0029155 k( 110) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0029155 k( 111) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0029155 k( 112) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0029155 k( 113) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0029155 k( 114) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0029155 k( 115) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0029155 k( 116) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0029155 k( 117) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0029155 k( 118) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0029155 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 121) = ( 0.0000000 0.0000000 0.0135001), wk = 0.0029155 k( 122) = ( 0.0000000 0.0000000 0.0270001), wk = 0.0029155 k( 123) = ( 0.0000000 0.0000000 0.0405002), wk = 0.0029155 k( 124) = ( 0.0000000 0.0000000 0.0540003), wk = 0.0029155 k( 125) = ( 0.0000000 0.0000000 0.0675004), wk = 0.0029155 k( 126) = ( 0.0000000 0.0000000 0.0810004), wk = 0.0029155 k( 127) = ( 0.0000000 0.0000000 0.0945005), wk = 0.0029155 k( 128) = ( 0.0000000 0.0000000 0.1080006), wk = 0.0029155 k( 129) = ( 0.0000000 0.0000000 0.1215007), wk = 0.0029155 k( 130) = ( 0.0000000 0.0000000 0.1350007), wk = 0.0029155 k( 131) = ( 0.0000000 0.0000000 0.1485008), wk = 0.0029155 k( 132) = ( 0.0000000 0.0000000 0.1620009), wk = 0.0029155 k( 133) = ( 0.0000000 0.0000000 0.1755010), wk = 0.0029155 k( 134) = ( 0.0000000 0.0000000 0.1890010), wk = 0.0029155 k( 135) = ( 0.0000000 0.0000000 0.2025011), wk = 0.0029155 k( 136) = ( 0.0000000 0.0000000 0.2160012), wk = 0.0029155 k( 137) = ( 0.0000000 0.0000000 0.2295013), wk = 0.0029155 k( 138) = ( 0.0000000 0.0000000 0.2430013), wk = 0.0029155 k( 139) = ( 0.0000000 0.0000000 0.2565014), wk = 0.0029155 k( 140) = ( 0.0000000 0.0000000 0.2700015), wk = 0.0029155 k( 141) = ( 0.0000000 0.0000000 0.2835016), wk = 0.0029155 k( 142) = ( 0.0000000 0.0000000 0.2970016), wk = 0.0029155 k( 143) = ( 0.0000000 0.0000000 0.3105017), wk = 0.0029155 k( 144) = ( 0.0000000 0.0000000 0.3240018), wk = 0.0029155 k( 145) = ( 0.0000000 0.0000000 0.3375019), wk = 0.0029155 k( 146) = ( 0.0000000 0.0000000 0.3510019), wk = 0.0029155 k( 147) = ( 0.0000000 0.0000000 0.3645020), wk = 0.0029155 k( 148) = ( 0.0000000 0.0000000 0.3780021), wk = 0.0029155 k( 149) = ( 0.0000000 0.0000000 0.3915022), wk = 0.0029155 k( 150) = ( 0.0000000 0.0000000 0.4050022), wk = 0.0029155 k( 151) = ( 0.0000000 0.0000000 0.4185023), wk = 0.0029155 k( 152) = ( 0.0000000 0.0000000 0.4320024), wk = 0.0029155 k( 153) = ( 0.0000000 0.0000000 0.4455025), wk = 0.0029155 k( 154) = ( 0.0000000 0.0000000 0.4590025), wk = 0.0029155 k( 155) = ( 0.0000000 0.0000000 0.4590025), wk = 0.0029155 k( 156) = ( 0.0119048 0.0068732 0.4590025), wk = 0.0029155 k( 157) = ( 0.0238095 0.0137464 0.4590025), wk = 0.0029155 k( 158) = ( 0.0357143 0.0206197 0.4590025), wk = 0.0029155 k( 159) = ( 0.0476191 0.0274929 0.4590025), wk = 0.0029155 k( 160) = ( 0.0595238 0.0343661 0.4590025), wk = 0.0029155 k( 161) = ( 0.0714286 0.0412393 0.4590025), wk = 0.0029155 k( 162) = ( 0.0833333 0.0481125 0.4590025), wk = 0.0029155 k( 163) = ( 0.0952381 0.0549857 0.4590025), wk = 0.0029155 k( 164) = ( 0.1071429 0.0618590 0.4590025), wk = 0.0029155 k( 165) = ( 0.1190476 0.0687322 0.4590025), wk = 0.0029155 k( 166) = ( 0.1309524 0.0756054 0.4590025), wk = 0.0029155 k( 167) = ( 0.1428571 0.0824786 0.4590025), wk = 0.0029155 k( 168) = ( 0.1547619 0.0893518 0.4590025), wk = 0.0029155 k( 169) = ( 0.1666667 0.0962250 0.4590025), wk = 0.0029155 k( 170) = ( 0.1785714 0.1030983 0.4590025), wk = 0.0029155 k( 171) = ( 0.1904762 0.1099715 0.4590025), wk = 0.0029155 k( 172) = ( 0.2023810 0.1168447 0.4590025), wk = 0.0029155 k( 173) = ( 0.2142857 0.1237179 0.4590025), wk = 0.0029155 k( 174) = ( 0.2261905 0.1305911 0.4590025), wk = 0.0029155 k( 175) = ( 0.2380952 0.1374644 0.4590025), wk = 0.0029155 k( 176) = ( 0.2500000 0.1443376 0.4590025), wk = 0.0029155 k( 177) = ( 0.2619048 0.1512108 0.4590025), wk = 0.0029155 k( 178) = ( 0.2738095 0.1580840 0.4590025), wk = 0.0029155 k( 179) = ( 0.2857143 0.1649572 0.4590025), wk = 0.0029155 k( 180) = ( 0.2976190 0.1718304 0.4590025), wk = 0.0029155 k( 181) = ( 0.3095238 0.1787037 0.4590025), wk = 0.0029155 k( 182) = ( 0.3214286 0.1855769 0.4590025), wk = 0.0029155 k( 183) = ( 0.3333333 0.1924501 0.4590025), wk = 0.0029155 k( 184) = ( 0.3452381 0.1993233 0.4590025), wk = 0.0029155 k( 185) = ( 0.3571429 0.2061965 0.4590025), wk = 0.0029155 k( 186) = ( 0.3690476 0.2130697 0.4590025), wk = 0.0029155 k( 187) = ( 0.3809524 0.2199430 0.4590025), wk = 0.0029155 k( 188) = ( 0.3928571 0.2268162 0.4590025), wk = 0.0029155 k( 189) = ( 0.4047619 0.2336894 0.4590025), wk = 0.0029155 k( 190) = ( 0.4166667 0.2405626 0.4590025), wk = 0.0029155 k( 191) = ( 0.4285714 0.2474358 0.4590025), wk = 0.0029155 k( 192) = ( 0.4404762 0.2543090 0.4590025), wk = 0.0029155 k( 193) = ( 0.4523810 0.2611823 0.4590025), wk = 0.0029155 k( 194) = ( 0.4642857 0.2680555 0.4590025), wk = 0.0029155 k( 195) = ( 0.4761905 0.2749287 0.4590025), wk = 0.0029155 k( 196) = ( 0.4880952 0.2818019 0.4590025), wk = 0.0029155 k( 197) = ( 0.5000000 0.2886751 0.4590025), wk = 0.0029155 k( 198) = ( 0.5000000 0.2886751 0.4590025), wk = 0.0029155 k( 199) = ( 0.4933333 0.3002221 0.4590025), wk = 0.0029155 k( 200) = ( 0.4866667 0.3117692 0.4590025), wk = 0.0029155 k( 201) = ( 0.4800000 0.3233162 0.4590025), wk = 0.0029155 k( 202) = ( 0.4733333 0.3348632 0.4590025), wk = 0.0029155 k( 203) = ( 0.4666667 0.3464102 0.4590025), wk = 0.0029155 k( 204) = ( 0.4600000 0.3579572 0.4590025), wk = 0.0029155 k( 205) = ( 0.4533333 0.3695042 0.4590025), wk = 0.0029155 k( 206) = ( 0.4466667 0.3810512 0.4590025), wk = 0.0029155 k( 207) = ( 0.4400000 0.3925982 0.4590025), wk = 0.0029155 k( 208) = ( 0.4333333 0.4041452 0.4590025), wk = 0.0029155 k( 209) = ( 0.4266667 0.4156922 0.4590025), wk = 0.0029155 k( 210) = ( 0.4200000 0.4272392 0.4590025), wk = 0.0029155 k( 211) = ( 0.4133333 0.4387862 0.4590025), wk = 0.0029155 k( 212) = ( 0.4066667 0.4503332 0.4590025), wk = 0.0029155 k( 213) = ( 0.4000000 0.4618802 0.4590025), wk = 0.0029155 k( 214) = ( 0.3933333 0.4734272 0.4590025), wk = 0.0029155 k( 215) = ( 0.3866667 0.4849742 0.4590025), wk = 0.0029155 k( 216) = ( 0.3800000 0.4965212 0.4590025), wk = 0.0029155 k( 217) = ( 0.3733333 0.5080682 0.4590025), wk = 0.0029155 k( 218) = ( 0.3666667 0.5196152 0.4590025), wk = 0.0029155 k( 219) = ( 0.3600000 0.5311622 0.4590025), wk = 0.0029155 k( 220) = ( 0.3533333 0.5427092 0.4590025), wk = 0.0029155 k( 221) = ( 0.3466667 0.5542563 0.4590025), wk = 0.0029155 k( 222) = ( 0.3400000 0.5658033 0.4590025), wk = 0.0029155 k( 223) = ( 0.3333333 0.5773503 0.4590025), wk = 0.0029155 k( 224) = ( 0.3333333 0.5773503 0.4590025), wk = 0.0029155 k( 225) = ( 0.3265306 0.5655676 0.4590025), wk = 0.0029155 k( 226) = ( 0.3197279 0.5537850 0.4590025), wk = 0.0029155 k( 227) = ( 0.3129252 0.5420023 0.4590025), wk = 0.0029155 k( 228) = ( 0.3061224 0.5302196 0.4590025), wk = 0.0029155 k( 229) = ( 0.2993197 0.5184370 0.4590025), wk = 0.0029155 k( 230) = ( 0.2925170 0.5066543 0.4590025), wk = 0.0029155 k( 231) = ( 0.2857143 0.4948717 0.4590025), wk = 0.0029155 k( 232) = ( 0.2789116 0.4830890 0.4590025), wk = 0.0029155 k( 233) = ( 0.2721088 0.4713063 0.4590025), wk = 0.0029155 k( 234) = ( 0.2653061 0.4595237 0.4590025), wk = 0.0029155 k( 235) = ( 0.2585034 0.4477410 0.4590025), wk = 0.0029155 k( 236) = ( 0.2517007 0.4359584 0.4590025), wk = 0.0029155 k( 237) = ( 0.2448980 0.4241757 0.4590025), wk = 0.0029155 k( 238) = ( 0.2380952 0.4123931 0.4590025), wk = 0.0029155 k( 239) = ( 0.2312925 0.4006104 0.4590025), wk = 0.0029155 k( 240) = ( 0.2244898 0.3888277 0.4590025), wk = 0.0029155 k( 241) = ( 0.2176871 0.3770451 0.4590025), wk = 0.0029155 k( 242) = ( 0.2108843 0.3652624 0.4590025), wk = 0.0029155 k( 243) = ( 0.2040816 0.3534798 0.4590025), wk = 0.0029155 k( 244) = ( 0.1972789 0.3416971 0.4590025), wk = 0.0029155 k( 245) = ( 0.1904762 0.3299144 0.4590025), wk = 0.0029155 k( 246) = ( 0.1836735 0.3181318 0.4590025), wk = 0.0029155 k( 247) = ( 0.1768707 0.3063491 0.4590025), wk = 0.0029155 k( 248) = ( 0.1700680 0.2945665 0.4590025), wk = 0.0029155 k( 249) = ( 0.1632653 0.2827838 0.4590025), wk = 0.0029155 k( 250) = ( 0.1564626 0.2710012 0.4590025), wk = 0.0029155 k( 251) = ( 0.1496599 0.2592185 0.4590025), wk = 0.0029155 k( 252) = ( 0.1428571 0.2474358 0.4590025), wk = 0.0029155 k( 253) = ( 0.1360544 0.2356532 0.4590025), wk = 0.0029155 k( 254) = ( 0.1292517 0.2238705 0.4590025), wk = 0.0029155 k( 255) = ( 0.1224490 0.2120879 0.4590025), wk = 0.0029155 k( 256) = ( 0.1156463 0.2003052 0.4590025), wk = 0.0029155 k( 257) = ( 0.1088435 0.1885225 0.4590025), wk = 0.0029155 k( 258) = ( 0.1020408 0.1767399 0.4590025), wk = 0.0029155 k( 259) = ( 0.0952381 0.1649572 0.4590025), wk = 0.0029155 k( 260) = ( 0.0884354 0.1531746 0.4590025), wk = 0.0029155 k( 261) = ( 0.0816327 0.1413919 0.4590025), wk = 0.0029155 k( 262) = ( 0.0748299 0.1296092 0.4590025), wk = 0.0029155 k( 263) = ( 0.0680272 0.1178266 0.4590025), wk = 0.0029155 k( 264) = ( 0.0612245 0.1060439 0.4590025), wk = 0.0029155 k( 265) = ( 0.0544218 0.0942613 0.4590025), wk = 0.0029155 k( 266) = ( 0.0476191 0.0824786 0.4590025), wk = 0.0029155 k( 267) = ( 0.0408163 0.0706960 0.4590025), wk = 0.0029155 k( 268) = ( 0.0340136 0.0589133 0.4590025), wk = 0.0029155 k( 269) = ( 0.0272109 0.0471306 0.4590025), wk = 0.0029155 k( 270) = ( 0.0204082 0.0353480 0.4590025), wk = 0.0029155 k( 271) = ( 0.0136054 0.0235653 0.4590025), wk = 0.0029155 k( 272) = ( 0.0068027 0.0117827 0.4590025), wk = 0.0029155 k( 273) = ( 0.0000000 0.0000000 0.4590025), wk = 0.0029155 k( 274) = ( 0.5000000 0.2886751 0.4590025), wk = 0.0029155 k( 275) = ( 0.5000000 0.2886751 0.4455025), wk = 0.0029155 k( 276) = ( 0.5000000 0.2886751 0.4320024), wk = 0.0029155 k( 277) = ( 0.5000000 0.2886751 0.4185023), wk = 0.0029155 k( 278) = ( 0.5000000 0.2886751 0.4050022), wk = 0.0029155 k( 279) = ( 0.5000000 0.2886751 0.3915022), wk = 0.0029155 k( 280) = ( 0.5000000 0.2886751 0.3780021), wk = 0.0029155 k( 281) = ( 0.5000000 0.2886751 0.3645020), wk = 0.0029155 k( 282) = ( 0.5000000 0.2886751 0.3510019), wk = 0.0029155 k( 283) = ( 0.5000000 0.2886751 0.3375019), wk = 0.0029155 k( 284) = ( 0.5000000 0.2886751 0.3240018), wk = 0.0029155 k( 285) = ( 0.5000000 0.2886751 0.3105017), wk = 0.0029155 k( 286) = ( 0.5000000 0.2886751 0.2970016), wk = 0.0029155 k( 287) = ( 0.5000000 0.2886751 0.2835016), wk = 0.0029155 k( 288) = ( 0.5000000 0.2886751 0.2700015), wk = 0.0029155 k( 289) = ( 0.5000000 0.2886751 0.2565014), wk = 0.0029155 k( 290) = ( 0.5000000 0.2886751 0.2430013), wk = 0.0029155 k( 291) = ( 0.5000000 0.2886751 0.2295013), wk = 0.0029155 k( 292) = ( 0.5000000 0.2886751 0.2160012), wk = 0.0029155 k( 293) = ( 0.5000000 0.2886751 0.2025011), wk = 0.0029155 k( 294) = ( 0.5000000 0.2886751 0.1890010), wk = 0.0029155 k( 295) = ( 0.5000000 0.2886751 0.1755010), wk = 0.0029155 k( 296) = ( 0.5000000 0.2886751 0.1620009), wk = 0.0029155 k( 297) = ( 0.5000000 0.2886751 0.1485008), wk = 0.0029155 k( 298) = ( 0.5000000 0.2886751 0.1350007), wk = 0.0029155 k( 299) = ( 0.5000000 0.2886751 0.1215007), wk = 0.0029155 k( 300) = ( 0.5000000 0.2886751 0.1080006), wk = 0.0029155 k( 301) = ( 0.5000000 0.2886751 0.0945005), wk = 0.0029155 k( 302) = ( 0.5000000 0.2886751 0.0810004), wk = 0.0029155 k( 303) = ( 0.5000000 0.2886751 0.0675004), wk = 0.0029155 k( 304) = ( 0.5000000 0.2886751 0.0540003), wk = 0.0029155 k( 305) = ( 0.5000000 0.2886751 0.0405002), wk = 0.0029155 k( 306) = ( 0.5000000 0.2886751 0.0270001), wk = 0.0029155 k( 307) = ( 0.5000000 0.2886751 0.0135001), wk = 0.0029155 k( 308) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029155 k( 309) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029155 k( 310) = ( 0.3333333 0.5773503 0.0135001), wk = 0.0029155 k( 311) = ( 0.3333333 0.5773503 0.0270001), wk = 0.0029155 k( 312) = ( 0.3333333 0.5773503 0.0405002), wk = 0.0029155 k( 313) = ( 0.3333333 0.5773503 0.0540003), wk = 0.0029155 k( 314) = ( 0.3333333 0.5773503 0.0675004), wk = 0.0029155 k( 315) = ( 0.3333333 0.5773503 0.0810004), wk = 0.0029155 k( 316) = ( 0.3333333 0.5773503 0.0945005), wk = 0.0029155 k( 317) = ( 0.3333333 0.5773503 0.1080006), wk = 0.0029155 k( 318) = ( 0.3333333 0.5773503 0.1215007), wk = 0.0029155 k( 319) = ( 0.3333333 0.5773503 0.1350007), wk = 0.0029155 k( 320) = ( 0.3333333 0.5773503 0.1485008), wk = 0.0029155 k( 321) = ( 0.3333333 0.5773503 0.1620009), wk = 0.0029155 k( 322) = ( 0.3333333 0.5773503 0.1755010), wk = 0.0029155 k( 323) = ( 0.3333333 0.5773503 0.1890010), wk = 0.0029155 k( 324) = ( 0.3333333 0.5773503 0.2025011), wk = 0.0029155 k( 325) = ( 0.3333333 0.5773503 0.2160012), wk = 0.0029155 k( 326) = ( 0.3333333 0.5773503 0.2295013), wk = 0.0029155 k( 327) = ( 0.3333333 0.5773503 0.2430013), wk = 0.0029155 k( 328) = ( 0.3333333 0.5773503 0.2565014), wk = 0.0029155 k( 329) = ( 0.3333333 0.5773503 0.2700015), wk = 0.0029155 k( 330) = ( 0.3333333 0.5773503 0.2835016), wk = 0.0029155 k( 331) = ( 0.3333333 0.5773503 0.2970016), wk = 0.0029155 k( 332) = ( 0.3333333 0.5773503 0.3105017), wk = 0.0029155 k( 333) = ( 0.3333333 0.5773503 0.3240018), wk = 0.0029155 k( 334) = ( 0.3333333 0.5773503 0.3375019), wk = 0.0029155 k( 335) = ( 0.3333333 0.5773503 0.3510019), wk = 0.0029155 k( 336) = ( 0.3333333 0.5773503 0.3645020), wk = 0.0029155 k( 337) = ( 0.3333333 0.5773503 0.3780021), wk = 0.0029155 k( 338) = ( 0.3333333 0.5773503 0.3915022), wk = 0.0029155 k( 339) = ( 0.3333333 0.5773503 0.4050022), wk = 0.0029155 k( 340) = ( 0.3333333 0.5773503 0.4185023), wk = 0.0029155 k( 341) = ( 0.3333333 0.5773503 0.4320024), wk = 0.0029155 k( 342) = ( 0.3333333 0.5773503 0.4455025), wk = 0.0029155 k( 343) = ( 0.3333333 0.5773503 0.4590025), wk = 0.0029155 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0029155 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0029155 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0029155 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0029155 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0029155 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0029155 k( 8) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0029155 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0029155 k( 10) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0029155 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0029155 k( 12) = ( 0.1309524 0.0000000 -0.0000000), wk = 0.0029155 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0029155 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0029155 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0029155 k( 16) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0029155 k( 17) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0029155 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0029155 k( 19) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0029155 k( 20) = ( 0.2261905 0.0000000 -0.0000000), wk = 0.0029155 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0029155 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0029155 k( 23) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0029155 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0029155 k( 25) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0029155 k( 26) = ( 0.2976190 0.0000000 -0.0000000), wk = 0.0029155 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0029155 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0029155 k( 29) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0029155 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0029155 k( 31) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0029155 k( 32) = ( 0.3690476 -0.0000000 0.0000000), wk = 0.0029155 k( 33) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0029155 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0029155 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0029155 k( 36) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0029155 k( 37) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0029155 k( 38) = ( 0.4404762 -0.0000000 0.0000000), wk = 0.0029155 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0029155 k( 40) = ( 0.4642857 -0.0000000 0.0000000), wk = 0.0029155 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0029155 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0029155 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029155 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029155 k( 45) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0029155 k( 46) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0029155 k( 47) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0029155 k( 48) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0029155 k( 49) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0029155 k( 50) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0029155 k( 51) = ( 0.4533333 0.0933333 -0.0000000), wk = 0.0029155 k( 52) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0029155 k( 53) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0029155 k( 54) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0029155 k( 55) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0029155 k( 56) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0029155 k( 57) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0029155 k( 58) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0029155 k( 59) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0029155 k( 60) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0029155 k( 61) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0029155 k( 62) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0029155 k( 63) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0029155 k( 64) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0029155 k( 65) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0029155 k( 66) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0029155 k( 67) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0029155 k( 68) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0029155 k( 69) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029155 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029155 k( 71) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0029155 k( 72) = ( 0.3197279 0.3197279 -0.0000000), wk = 0.0029155 k( 73) = ( 0.3129252 0.3129252 0.0000000), wk = 0.0029155 k( 74) = ( 0.3061224 0.3061225 0.0000000), wk = 0.0029155 k( 75) = ( 0.2993197 0.2993197 0.0000000), wk = 0.0029155 k( 76) = ( 0.2925170 0.2925170 -0.0000000), wk = 0.0029155 k( 77) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0029155 k( 78) = ( 0.2789116 0.2789116 0.0000000), wk = 0.0029155 k( 79) = ( 0.2721088 0.2721088 -0.0000000), wk = 0.0029155 k( 80) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0029155 k( 81) = ( 0.2585034 0.2585034 -0.0000000), wk = 0.0029155 k( 82) = ( 0.2517007 0.2517007 0.0000000), wk = 0.0029155 k( 83) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0029155 k( 84) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0029155 k( 85) = ( 0.2312925 0.2312925 -0.0000000), wk = 0.0029155 k( 86) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0029155 k( 87) = ( 0.2176871 0.2176871 0.0000000), wk = 0.0029155 k( 88) = ( 0.2108843 0.2108844 -0.0000000), wk = 0.0029155 k( 89) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0029155 k( 90) = ( 0.1972789 0.1972789 -0.0000000), wk = 0.0029155 k( 91) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0029155 k( 92) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0029155 k( 93) = ( 0.1768707 0.1768707 0.0000000), wk = 0.0029155 k( 94) = ( 0.1700680 0.1700680 0.0000000), wk = 0.0029155 k( 95) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0029155 k( 96) = ( 0.1564626 0.1564626 -0.0000000), wk = 0.0029155 k( 97) = ( 0.1496599 0.1496599 0.0000000), wk = 0.0029155 k( 98) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0029155 k( 99) = ( 0.1360544 0.1360544 -0.0000000), wk = 0.0029155 k( 100) = ( 0.1292517 0.1292517 -0.0000000), wk = 0.0029155 k( 101) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0029155 k( 102) = ( 0.1156463 0.1156463 -0.0000000), wk = 0.0029155 k( 103) = ( 0.1088435 0.1088435 0.0000000), wk = 0.0029155 k( 104) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0029155 k( 105) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0029155 k( 106) = ( 0.0884354 0.0884354 -0.0000000), wk = 0.0029155 k( 107) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0029155 k( 108) = ( 0.0748299 0.0748299 0.0000000), wk = 0.0029155 k( 109) = ( 0.0680272 0.0680272 -0.0000000), wk = 0.0029155 k( 110) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0029155 k( 111) = ( 0.0544218 0.0544218 0.0000000), wk = 0.0029155 k( 112) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0029155 k( 113) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0029155 k( 114) = ( 0.0340136 0.0340136 -0.0000000), wk = 0.0029155 k( 115) = ( 0.0272109 0.0272109 0.0000000), wk = 0.0029155 k( 116) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0029155 k( 117) = ( 0.0136054 0.0136054 0.0000000), wk = 0.0029155 k( 118) = ( 0.0068027 0.0068027 0.0000000), wk = 0.0029155 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 121) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0029155 k( 122) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0029155 k( 123) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0029155 k( 124) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0029155 k( 125) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0029155 k( 126) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0029155 k( 127) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0029155 k( 128) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0029155 k( 129) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0029155 k( 130) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0029155 k( 131) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0029155 k( 132) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0029155 k( 133) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0029155 k( 134) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0029155 k( 135) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0029155 k( 136) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0029155 k( 137) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029155 k( 138) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0029155 k( 139) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0029155 k( 140) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0029155 k( 141) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0029155 k( 142) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0029155 k( 143) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0029155 k( 144) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0029155 k( 145) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0029155 k( 146) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0029155 k( 147) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0029155 k( 148) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0029155 k( 149) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0029155 k( 150) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0029155 k( 151) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0029155 k( 152) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0029155 k( 153) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0029155 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029155 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029155 k( 156) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0029155 k( 157) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0029155 k( 158) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0029155 k( 159) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0029155 k( 160) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0029155 k( 161) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0029155 k( 162) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0029155 k( 163) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0029155 k( 164) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0029155 k( 165) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0029155 k( 166) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0029155 k( 167) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0029155 k( 168) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0029155 k( 169) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0029155 k( 170) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0029155 k( 171) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0029155 k( 172) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0029155 k( 173) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0029155 k( 174) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0029155 k( 175) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0029155 k( 176) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0029155 k( 177) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0029155 k( 178) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0029155 k( 179) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0029155 k( 180) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0029155 k( 181) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0029155 k( 182) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0029155 k( 183) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0029155 k( 184) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0029155 k( 185) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0029155 k( 186) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0029155 k( 187) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0029155 k( 188) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0029155 k( 189) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0029155 k( 190) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0029155 k( 191) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0029155 k( 192) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0029155 k( 193) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0029155 k( 194) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0029155 k( 195) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0029155 k( 196) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0029155 k( 197) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029155 k( 198) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029155 k( 199) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0029155 k( 200) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0029155 k( 201) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0029155 k( 202) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0029155 k( 203) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0029155 k( 204) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0029155 k( 205) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0029155 k( 206) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0029155 k( 207) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0029155 k( 208) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0029155 k( 209) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0029155 k( 210) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0029155 k( 211) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0029155 k( 212) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0029155 k( 213) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0029155 k( 214) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0029155 k( 215) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0029155 k( 216) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0029155 k( 217) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0029155 k( 218) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0029155 k( 219) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0029155 k( 220) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0029155 k( 221) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0029155 k( 222) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0029155 k( 223) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029155 k( 224) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029155 k( 225) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0029155 k( 226) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0029155 k( 227) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0029155 k( 228) = ( 0.3061224 0.3061225 0.5000000), wk = 0.0029155 k( 229) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0029155 k( 230) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0029155 k( 231) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0029155 k( 232) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0029155 k( 233) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0029155 k( 234) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0029155 k( 235) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0029155 k( 236) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0029155 k( 237) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0029155 k( 238) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0029155 k( 239) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0029155 k( 240) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0029155 k( 241) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0029155 k( 242) = ( 0.2108843 0.2108844 0.5000000), wk = 0.0029155 k( 243) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0029155 k( 244) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0029155 k( 245) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0029155 k( 246) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0029155 k( 247) = ( 0.1768707 0.1768707 0.5000000), wk = 0.0029155 k( 248) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0029155 k( 249) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0029155 k( 250) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0029155 k( 251) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0029155 k( 252) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0029155 k( 253) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0029155 k( 254) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0029155 k( 255) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0029155 k( 256) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0029155 k( 257) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0029155 k( 258) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0029155 k( 259) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0029155 k( 260) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0029155 k( 261) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0029155 k( 262) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0029155 k( 263) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0029155 k( 264) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0029155 k( 265) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0029155 k( 266) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0029155 k( 267) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0029155 k( 268) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0029155 k( 269) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0029155 k( 270) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0029155 k( 271) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0029155 k( 272) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0029155 k( 273) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029155 k( 274) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029155 k( 275) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0029155 k( 276) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0029155 k( 277) = ( 0.5000000 0.0000000 0.4558824), wk = 0.0029155 k( 278) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0029155 k( 279) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0029155 k( 280) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0029155 k( 281) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0029155 k( 282) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0029155 k( 283) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0029155 k( 284) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0029155 k( 285) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0029155 k( 286) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0029155 k( 287) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0029155 k( 288) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0029155 k( 289) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0029155 k( 290) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0029155 k( 291) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0029155 k( 292) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0029155 k( 293) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0029155 k( 294) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0029155 k( 295) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0029155 k( 296) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0029155 k( 297) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0029155 k( 298) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0029155 k( 299) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0029155 k( 300) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0029155 k( 301) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0029155 k( 302) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0029155 k( 303) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0029155 k( 304) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0029155 k( 305) = ( 0.5000000 0.0000000 0.0441177), wk = 0.0029155 k( 306) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0029155 k( 307) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0029155 k( 308) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029155 k( 309) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029155 k( 310) = ( 0.3333333 0.3333333 0.0147059), wk = 0.0029155 k( 311) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0029155 k( 312) = ( 0.3333333 0.3333333 0.0441177), wk = 0.0029155 k( 313) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0029155 k( 314) = ( 0.3333333 0.3333333 0.0735294), wk = 0.0029155 k( 315) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0029155 k( 316) = ( 0.3333333 0.3333333 0.1029412), wk = 0.0029155 k( 317) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0029155 k( 318) = ( 0.3333333 0.3333333 0.1323529), wk = 0.0029155 k( 319) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0029155 k( 320) = ( 0.3333333 0.3333333 0.1617647), wk = 0.0029155 k( 321) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0029155 k( 322) = ( 0.3333333 0.3333333 0.1911765), wk = 0.0029155 k( 323) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0029155 k( 324) = ( 0.3333333 0.3333333 0.2205882), wk = 0.0029155 k( 325) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0029155 k( 326) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0029155 k( 327) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0029155 k( 328) = ( 0.3333333 0.3333333 0.2794118), wk = 0.0029155 k( 329) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0029155 k( 330) = ( 0.3333333 0.3333333 0.3088235), wk = 0.0029155 k( 331) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0029155 k( 332) = ( 0.3333333 0.3333333 0.3382353), wk = 0.0029155 k( 333) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0029155 k( 334) = ( 0.3333333 0.3333333 0.3676471), wk = 0.0029155 k( 335) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0029155 k( 336) = ( 0.3333333 0.3333333 0.3970588), wk = 0.0029155 k( 337) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0029155 k( 338) = ( 0.3333333 0.3333333 0.4264706), wk = 0.0029155 k( 339) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0029155 k( 340) = ( 0.3333333 0.3333333 0.4558823), wk = 0.0029155 k( 341) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0029155 k( 342) = ( 0.3333333 0.3333333 0.4852941), wk = 0.0029155 k( 343) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029155 Dense grid: 37607 G-vectors FFT dimensions: ( 45, 45, 48) Smooth grid: 20623 G-vectors FFT dimensions: ( 36, 36, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 146, 44) NL pseudopotentials 0.11 Mb ( 73, 102) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1044) G-vector shells 0.00 Mb ( 510) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 146, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrGa2.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 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.6 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.1 secs Computing kpt #: 10 total cpu time spent up to now is 4.4 secs Computing kpt #: 11 total cpu time spent up to now is 4.6 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.7 secs Computing kpt #: 15 total cpu time spent up to now is 6.0 secs Computing kpt #: 16 total cpu time spent up to now is 6.4 secs Computing kpt #: 17 total cpu time spent up to now is 6.9 secs Computing kpt #: 18 total cpu time spent up to now is 7.2 secs Computing kpt #: 19 total cpu time spent up to now is 7.5 secs Computing kpt #: 20 total cpu time spent up to now is 7.9 secs Computing kpt #: 21 total cpu time spent up to now is 8.2 secs Computing kpt #: 22 total cpu time spent up to now is 8.5 secs Computing kpt #: 23 total cpu time spent up to now is 8.8 secs Computing kpt #: 24 total cpu time spent up to now is 9.2 secs Computing kpt #: 25 total cpu time spent up to now is 9.5 secs Computing kpt #: 26 total cpu time spent up to now is 9.8 secs Computing kpt #: 27 total cpu time spent up to now is 10.1 secs Computing kpt #: 28 total cpu time spent up to now is 10.5 secs Computing kpt #: 29 total cpu time spent up to now is 10.8 secs Computing kpt #: 30 total cpu time spent up to now is 11.1 secs Computing kpt #: 31 total cpu time spent up to now is 11.4 secs Computing kpt #: 32 total cpu time spent up to now is 11.7 secs Computing kpt #: 33 total cpu time spent up to now is 12.1 secs Computing kpt #: 34 total cpu time spent up to now is 12.4 secs Computing kpt #: 35 total cpu time spent up to now is 12.7 secs Computing kpt #: 36 total cpu time spent up to now is 13.1 secs Computing kpt #: 37 total cpu time spent up to now is 13.8 secs Computing kpt #: 38 total cpu time spent up to now is 14.1 secs Computing kpt #: 39 total cpu time spent up to now is 14.4 secs Computing kpt #: 40 total cpu time spent up to now is 14.8 secs Computing kpt #: 41 total cpu time spent up to now is 15.1 secs Computing kpt #: 42 total cpu time spent up to now is 15.4 secs Computing kpt #: 43 total cpu time spent up to now is 15.8 secs Computing kpt #: 44 total cpu time spent up to now is 16.1 secs Computing kpt #: 45 total cpu time spent up to now is 16.4 secs Computing kpt #: 46 total cpu time spent up to now is 16.8 secs Computing kpt #: 47 total cpu time spent up to now is 17.1 secs Computing kpt #: 48 total cpu time spent up to now is 17.4 secs Computing kpt #: 49 total cpu time spent up to now is 17.6 secs Computing kpt #: 50 total cpu time spent up to now is 17.9 secs Computing kpt #: 51 total cpu time spent up to now is 18.1 secs Computing kpt #: 52 total cpu time spent up to now is 18.4 secs Computing kpt #: 53 total cpu time spent up to now is 18.6 secs Computing kpt #: 54 total cpu time spent up to now is 18.9 secs Computing kpt #: 55 total cpu time spent up to now is 19.1 secs Computing kpt #: 56 total cpu time spent up to now is 19.3 secs Computing kpt #: 57 total cpu time spent up to now is 19.6 secs Computing kpt #: 58 total cpu time spent up to now is 19.9 secs Computing kpt #: 59 total cpu time spent up to now is 20.1 secs Computing kpt #: 60 total cpu time spent up to now is 20.4 secs Computing kpt #: 61 total cpu time spent up to now is 20.6 secs Computing kpt #: 62 total cpu time spent up to now is 20.9 secs Computing kpt #: 63 total cpu time spent up to now is 21.1 secs Computing kpt #: 64 total cpu time spent up to now is 21.3 secs Computing kpt #: 65 total cpu time spent up to now is 21.6 secs Computing kpt #: 66 total cpu time spent up to now is 21.8 secs Computing kpt #: 67 total cpu time spent up to now is 22.0 secs Computing kpt #: 68 total cpu time spent up to now is 22.3 secs Computing kpt #: 69 total cpu time spent up to now is 22.5 secs Computing kpt #: 70 total cpu time spent up to now is 22.7 secs Computing kpt #: 71 total cpu time spent up to now is 23.0 secs Computing kpt #: 72 total cpu time spent up to now is 23.2 secs Computing kpt #: 73 total cpu time spent up to now is 23.4 secs Computing kpt #: 74 total cpu time spent up to now is 23.7 secs Computing kpt #: 75 total cpu time spent up to now is 23.9 secs Computing kpt #: 76 total cpu time spent up to now is 24.1 secs Computing kpt #: 77 total cpu time spent up to now is 24.4 secs Computing kpt #: 78 total cpu time spent up to now is 24.7 secs Computing kpt #: 79 total cpu time spent up to now is 24.9 secs Computing kpt #: 80 total cpu time spent up to now is 25.2 secs Computing kpt #: 81 total cpu time spent up to now is 25.5 secs Computing kpt #: 82 total cpu time spent up to now is 25.7 secs Computing kpt #: 83 total cpu time spent up to now is 26.0 secs Computing kpt #: 84 total cpu time spent up to now is 26.2 secs Computing kpt #: 85 total cpu time spent up to now is 26.5 secs Computing kpt #: 86 total cpu time spent up to now is 26.7 secs Computing kpt #: 87 total cpu time spent up to now is 27.0 secs Computing kpt #: 88 total cpu time spent up to now is 27.2 secs Computing kpt #: 89 total cpu time spent up to now is 27.4 secs Computing kpt #: 90 total cpu time spent up to now is 27.7 secs Computing kpt #: 91 total cpu time spent up to now is 27.9 secs Computing kpt #: 92 total cpu time spent up to now is 28.2 secs Computing kpt #: 93 total cpu time spent up to now is 28.4 secs Computing kpt #: 94 total cpu time spent up to now is 28.6 secs Computing kpt #: 95 total cpu time spent up to now is 28.9 secs Computing kpt #: 96 total cpu time spent up to now is 29.1 secs Computing kpt #: 97 total cpu time spent up to now is 29.4 secs Computing kpt #: 98 total cpu time spent up to now is 29.6 secs Computing kpt #: 99 total cpu time spent up to now is 29.9 secs Computing kpt #: 100 total cpu time spent up to now is 30.1 secs Computing kpt #: 101 total cpu time spent up to now is 30.4 secs Computing kpt #: 102 total cpu time spent up to now is 30.7 secs Computing kpt #: 103 total cpu time spent up to now is 31.0 secs Computing kpt #: 104 total cpu time spent up to now is 31.3 secs Computing kpt #: 105 total cpu time spent up to now is 31.6 secs Computing kpt #: 106 total cpu time spent up to now is 32.0 secs Computing kpt #: 107 total cpu time spent up to now is 32.3 secs Computing kpt #: 108 total cpu time spent up to now is 32.6 secs Computing kpt #: 109 total cpu time spent up to now is 32.9 secs Computing kpt #: 110 total cpu time spent up to now is 33.1 secs Computing kpt #: 111 total cpu time spent up to now is 33.4 secs Computing kpt #: 112 total cpu time spent up to now is 33.6 secs Computing kpt #: 113 total cpu time spent up to now is 33.9 secs Computing kpt #: 114 total cpu time spent up to now is 34.1 secs Computing kpt #: 115 total cpu time spent up to now is 34.4 secs Computing kpt #: 116 total cpu time spent up to now is 34.6 secs Computing kpt #: 117 total cpu time spent up to now is 34.9 secs Computing kpt #: 118 total cpu time spent up to now is 35.1 secs Computing kpt #: 119 total cpu time spent up to now is 35.4 secs Computing kpt #: 120 total cpu time spent up to now is 35.6 secs Computing kpt #: 121 total cpu time spent up to now is 35.9 secs Computing kpt #: 122 total cpu time spent up to now is 36.2 secs Computing kpt #: 123 total cpu time spent up to now is 36.5 secs Computing kpt #: 124 total cpu time spent up to now is 36.7 secs Computing kpt #: 125 total cpu time spent up to now is 37.0 secs Computing kpt #: 126 total cpu time spent up to now is 37.2 secs Computing kpt #: 127 total cpu time spent up to now is 37.5 secs Computing kpt #: 128 total cpu time spent up to now is 37.7 secs Computing kpt #: 129 total cpu time spent up to now is 37.9 secs Computing kpt #: 130 total cpu time spent up to now is 38.2 secs Computing kpt #: 131 total cpu time spent up to now is 38.4 secs Computing kpt #: 132 total cpu time spent up to now is 38.7 secs Computing kpt #: 133 total cpu time spent up to now is 38.9 secs Computing kpt #: 134 total cpu time spent up to now is 39.1 secs Computing kpt #: 135 total cpu time spent up to now is 39.3 secs Computing kpt #: 136 total cpu time spent up to now is 39.6 secs Computing kpt #: 137 total cpu time spent up to now is 39.8 secs Computing kpt #: 138 total cpu time spent up to now is 40.0 secs Computing kpt #: 139 total cpu time spent up to now is 40.3 secs Computing kpt #: 140 total cpu time spent up to now is 40.5 secs Computing kpt #: 141 total cpu time spent up to now is 40.8 secs Computing kpt #: 142 total cpu time spent up to now is 41.1 secs Computing kpt #: 143 total cpu time spent up to now is 41.4 secs Computing kpt #: 144 total cpu time spent up to now is 41.7 secs Computing kpt #: 145 total cpu time spent up to now is 42.0 secs Computing kpt #: 146 total cpu time spent up to now is 42.3 secs Computing kpt #: 147 total cpu time spent up to now is 42.6 secs Computing kpt #: 148 total cpu time spent up to now is 42.9 secs Computing kpt #: 149 total cpu time spent up to now is 43.2 secs Computing kpt #: 150 total cpu time spent up to now is 43.5 secs Computing kpt #: 151 total cpu time spent up to now is 43.8 secs Computing kpt #: 152 total cpu time spent up to now is 44.2 secs Computing kpt #: 153 total cpu time spent up to now is 44.5 secs Computing kpt #: 154 total cpu time spent up to now is 44.8 secs Computing kpt #: 155 total cpu time spent up to now is 45.1 secs Computing kpt #: 156 total cpu time spent up to now is 45.5 secs Computing kpt #: 157 total cpu time spent up to now is 45.7 secs Computing kpt #: 158 total cpu time spent up to now is 46.1 secs Computing kpt #: 159 total cpu time spent up to now is 46.3 secs Computing kpt #: 160 total cpu time spent up to now is 46.6 secs Computing kpt #: 161 total cpu time spent up to now is 46.8 secs Computing kpt #: 162 total cpu time spent up to now is 47.1 secs Computing kpt #: 163 total cpu time spent up to now is 47.4 secs Computing kpt #: 164 total cpu time spent up to now is 47.7 secs Computing kpt #: 165 total cpu time spent up to now is 48.0 secs Computing kpt #: 166 total cpu time spent up to now is 48.3 secs Computing kpt #: 167 total cpu time spent up to now is 48.6 secs Computing kpt #: 168 total cpu time spent up to now is 48.9 secs Computing kpt #: 169 total cpu time spent up to now is 49.2 secs Computing kpt #: 170 total cpu time spent up to now is 49.5 secs Computing kpt #: 171 total cpu time spent up to now is 49.7 secs Computing kpt #: 172 total cpu time spent up to now is 50.0 secs Computing kpt #: 173 total cpu time spent up to now is 50.3 secs Computing kpt #: 174 total cpu time spent up to now is 50.6 secs Computing kpt #: 175 total cpu time spent up to now is 50.9 secs Computing kpt #: 176 total cpu time spent up to now is 51.2 secs Computing kpt #: 177 total cpu time spent up to now is 51.5 secs Computing kpt #: 178 total cpu time spent up to now is 51.8 secs Computing kpt #: 179 total cpu time spent up to now is 52.1 secs Computing kpt #: 180 total cpu time spent up to now is 52.4 secs Computing kpt #: 181 total cpu time spent up to now is 52.7 secs Computing kpt #: 182 total cpu time spent up to now is 53.0 secs Computing kpt #: 183 total cpu time spent up to now is 53.3 secs Computing kpt #: 184 total cpu time spent up to now is 53.6 secs Computing kpt #: 185 total cpu time spent up to now is 53.9 secs Computing kpt #: 186 total cpu time spent up to now is 54.3 secs Computing kpt #: 187 total cpu time spent up to now is 54.6 secs Computing kpt #: 188 total cpu time spent up to now is 54.9 secs Computing kpt #: 189 total cpu time spent up to now is 55.2 secs Computing kpt #: 190 total cpu time spent up to now is 55.6 secs Computing kpt #: 191 total cpu time spent up to now is 56.0 secs Computing kpt #: 192 total cpu time spent up to now is 56.3 secs Computing kpt #: 193 total cpu time spent up to now is 56.7 secs Computing kpt #: 194 total cpu time spent up to now is 57.1 secs Computing kpt #: 195 total cpu time spent up to now is 57.8 secs Computing kpt #: 196 total cpu time spent up to now is 58.2 secs Computing kpt #: 197 total cpu time spent up to now is 58.7 secs Computing kpt #: 198 total cpu time spent up to now is 59.1 secs Computing kpt #: 199 total cpu time spent up to now is 59.4 secs Computing kpt #: 200 total cpu time spent up to now is 59.8 secs Computing kpt #: 201 total cpu time spent up to now is 60.2 secs Computing kpt #: 202 total cpu time spent up to now is 60.6 secs Computing kpt #: 203 total cpu time spent up to now is 61.0 secs Computing kpt #: 204 total cpu time spent up to now is 61.6 secs Computing kpt #: 205 total cpu time spent up to now is 62.1 secs Computing kpt #: 206 total cpu time spent up to now is 62.5 secs Computing kpt #: 207 total cpu time spent up to now is 62.9 secs Computing kpt #: 208 total cpu time spent up to now is 63.3 secs Computing kpt #: 209 total cpu time spent up to now is 63.7 secs Computing kpt #: 210 total cpu time spent up to now is 64.0 secs Computing kpt #: 211 total cpu time spent up to now is 64.5 secs Computing kpt #: 212 total cpu time spent up to now is 64.9 secs Computing kpt #: 213 total cpu time spent up to now is 65.3 secs Computing kpt #: 214 total cpu time spent up to now is 65.7 secs Computing kpt #: 215 total cpu time spent up to now is 66.2 secs Computing kpt #: 216 total cpu time spent up to now is 66.7 secs Computing kpt #: 217 total cpu time spent up to now is 67.1 secs Computing kpt #: 218 total cpu time spent up to now is 67.5 secs Computing kpt #: 219 total cpu time spent up to now is 67.7 secs Computing kpt #: 220 total cpu time spent up to now is 68.0 secs Computing kpt #: 221 total cpu time spent up to now is 68.2 secs Computing kpt #: 222 total cpu time spent up to now is 68.4 secs Computing kpt #: 223 total cpu time spent up to now is 68.7 secs Computing kpt #: 224 total cpu time spent up to now is 68.9 secs Computing kpt #: 225 total cpu time spent up to now is 69.1 secs Computing kpt #: 226 total cpu time spent up to now is 69.4 secs Computing kpt #: 227 total cpu time spent up to now is 69.7 secs Computing kpt #: 228 total cpu time spent up to now is 70.0 secs Computing kpt #: 229 total cpu time spent up to now is 70.4 secs Computing kpt #: 230 total cpu time spent up to now is 70.8 secs Computing kpt #: 231 total cpu time spent up to now is 71.3 secs Computing kpt #: 232 total cpu time spent up to now is 71.7 secs Computing kpt #: 233 total cpu time spent up to now is 72.0 secs Computing kpt #: 234 total cpu time spent up to now is 72.4 secs Computing kpt #: 235 total cpu time spent up to now is 72.7 secs Computing kpt #: 236 total cpu time spent up to now is 73.1 secs Computing kpt #: 237 total cpu time spent up to now is 73.4 secs Computing kpt #: 238 total cpu time spent up to now is 73.7 secs Computing kpt #: 239 total cpu time spent up to now is 74.0 secs Computing kpt #: 240 total cpu time spent up to now is 74.3 secs Computing kpt #: 241 total cpu time spent up to now is 74.6 secs Computing kpt #: 242 total cpu time spent up to now is 74.9 secs Computing kpt #: 243 total cpu time spent up to now is 75.2 secs Computing kpt #: 244 total cpu time spent up to now is 75.6 secs Computing kpt #: 245 total cpu time spent up to now is 75.9 secs Computing kpt #: 246 total cpu time spent up to now is 76.2 secs Computing kpt #: 247 total cpu time spent up to now is 76.5 secs Computing kpt #: 248 total cpu time spent up to now is 76.8 secs Computing kpt #: 249 total cpu time spent up to now is 77.1 secs Computing kpt #: 250 total cpu time spent up to now is 77.4 secs Computing kpt #: 251 total cpu time spent up to now is 77.6 secs Computing kpt #: 252 total cpu time spent up to now is 77.9 secs Computing kpt #: 253 total cpu time spent up to now is 78.1 secs Computing kpt #: 254 total cpu time spent up to now is 78.4 secs Computing kpt #: 255 total cpu time spent up to now is 78.7 secs Computing kpt #: 256 total cpu time spent up to now is 78.9 secs Computing kpt #: 257 total cpu time spent up to now is 79.2 secs Computing kpt #: 258 total cpu time spent up to now is 79.5 secs Computing kpt #: 259 total cpu time spent up to now is 79.7 secs Computing kpt #: 260 total cpu time spent up to now is 80.0 secs Computing kpt #: 261 total cpu time spent up to now is 80.3 secs Computing kpt #: 262 total cpu time spent up to now is 80.6 secs Computing kpt #: 263 total cpu time spent up to now is 80.9 secs Computing kpt #: 264 total cpu time spent up to now is 81.2 secs Computing kpt #: 265 total cpu time spent up to now is 81.5 secs Computing kpt #: 266 total cpu time spent up to now is 81.8 secs Computing kpt #: 267 total cpu time spent up to now is 82.0 secs Computing kpt #: 268 total cpu time spent up to now is 82.3 secs Computing kpt #: 269 total cpu time spent up to now is 82.5 secs Computing kpt #: 270 total cpu time spent up to now is 82.8 secs Computing kpt #: 271 total cpu time spent up to now is 83.2 secs Computing kpt #: 272 total cpu time spent up to now is 83.5 secs Computing kpt #: 273 total cpu time spent up to now is 83.9 secs Computing kpt #: 274 total cpu time spent up to now is 84.2 secs Computing kpt #: 275 total cpu time spent up to now is 84.6 secs Computing kpt #: 276 total cpu time spent up to now is 85.0 secs Computing kpt #: 277 total cpu time spent up to now is 85.4 secs Computing kpt #: 278 total cpu time spent up to now is 85.8 secs Computing kpt #: 279 total cpu time spent up to now is 86.2 secs Computing kpt #: 280 total cpu time spent up to now is 86.5 secs Computing kpt #: 281 total cpu time spent up to now is 86.9 secs Computing kpt #: 282 total cpu time spent up to now is 87.4 secs Computing kpt #: 283 total cpu time spent up to now is 87.9 secs Computing kpt #: 284 total cpu time spent up to now is 88.3 secs Computing kpt #: 285 total cpu time spent up to now is 88.7 secs Computing kpt #: 286 total cpu time spent up to now is 89.0 secs Computing kpt #: 287 total cpu time spent up to now is 89.3 secs Computing kpt #: 288 total cpu time spent up to now is 89.6 secs Computing kpt #: 289 total cpu time spent up to now is 89.9 secs Computing kpt #: 290 total cpu time spent up to now is 90.2 secs Computing kpt #: 291 total cpu time spent up to now is 90.5 secs Computing kpt #: 292 total cpu time spent up to now is 90.7 secs Computing kpt #: 293 total cpu time spent up to now is 91.0 secs Computing kpt #: 294 total cpu time spent up to now is 91.2 secs Computing kpt #: 295 total cpu time spent up to now is 91.5 secs Computing kpt #: 296 total cpu time spent up to now is 91.7 secs Computing kpt #: 297 total cpu time spent up to now is 92.0 secs Computing kpt #: 298 total cpu time spent up to now is 92.2 secs Computing kpt #: 299 total cpu time spent up to now is 92.5 secs Computing kpt #: 300 total cpu time spent up to now is 92.8 secs Computing kpt #: 301 total cpu time spent up to now is 93.1 secs Computing kpt #: 302 total cpu time spent up to now is 93.4 secs Computing kpt #: 303 total cpu time spent up to now is 93.7 secs Computing kpt #: 304 total cpu time spent up to now is 94.1 secs Computing kpt #: 305 total cpu time spent up to now is 94.4 secs Computing kpt #: 306 total cpu time spent up to now is 94.7 secs Computing kpt #: 307 total cpu time spent up to now is 95.0 secs Computing kpt #: 308 total cpu time spent up to now is 95.4 secs Computing kpt #: 309 total cpu time spent up to now is 95.6 secs Computing kpt #: 310 total cpu time spent up to now is 95.8 secs Computing kpt #: 311 total cpu time spent up to now is 96.0 secs Computing kpt #: 312 total cpu time spent up to now is 96.3 secs Computing kpt #: 313 total cpu time spent up to now is 96.5 secs Computing kpt #: 314 total cpu time spent up to now is 96.8 secs Computing kpt #: 315 total cpu time spent up to now is 97.0 secs Computing kpt #: 316 total cpu time spent up to now is 97.2 secs Computing kpt #: 317 total cpu time spent up to now is 97.5 secs Computing kpt #: 318 total cpu time spent up to now is 97.8 secs Computing kpt #: 319 total cpu time spent up to now is 98.0 secs Computing kpt #: 320 total cpu time spent up to now is 98.3 secs Computing kpt #: 321 total cpu time spent up to now is 98.5 secs Computing kpt #: 322 total cpu time spent up to now is 98.8 secs Computing kpt #: 323 total cpu time spent up to now is 99.0 secs Computing kpt #: 324 total cpu time spent up to now is 99.3 secs Computing kpt #: 325 total cpu time spent up to now is 99.6 secs Computing kpt #: 326 total cpu time spent up to now is 99.9 secs Computing kpt #: 327 total cpu time spent up to now is 100.3 secs Computing kpt #: 328 total cpu time spent up to now is 100.6 secs Computing kpt #: 329 total cpu time spent up to now is 100.9 secs Computing kpt #: 330 total cpu time spent up to now is 101.2 secs Computing kpt #: 331 total cpu time spent up to now is 101.5 secs Computing kpt #: 332 total cpu time spent up to now is 101.9 secs Computing kpt #: 333 total cpu time spent up to now is 102.2 secs Computing kpt #: 334 total cpu time spent up to now is 102.5 secs Computing kpt #: 335 total cpu time spent up to now is 102.8 secs Computing kpt #: 336 total cpu time spent up to now is 103.1 secs Computing kpt #: 337 total cpu time spent up to now is 103.4 secs Computing kpt #: 338 total cpu time spent up to now is 103.7 secs Computing kpt #: 339 total cpu time spent up to now is 103.9 secs Computing kpt #: 340 total cpu time spent up to now is 104.2 secs Computing kpt #: 341 total cpu time spent up to now is 104.4 secs Computing kpt #: 342 total cpu time spent up to now is 104.7 secs Computing kpt #: 343 total cpu time spent up to now is 104.9 secs ethr = 2.78E-08, avg # of iterations = 23.3 total cpu time spent up to now is 104.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2569 PWs) bands (ev): -27.2478 -27.2478 -10.0297 -10.0297 -8.9023 -8.9023 -8.8641 -8.8641 -6.5692 -6.5692 -6.5560 -6.5560 -6.5211 -6.5211 -6.4769 -6.4769 -6.1457 -6.1457 -6.0928 -6.0928 -6.0566 -6.0566 -5.9790 -5.9790 -5.9602 -5.9602 -5.9485 -5.9485 -0.7443 -0.7443 7.5295 7.5295 8.2124 8.2124 8.3082 8.3082 8.6138 8.6138 9.0717 9.0717 12.2203 12.2203 12.3127 12.3127 k = 0.0119 0.0069-0.0000 ( 2569 PWs) bands (ev): -27.2478 -27.2478 -10.0297 -10.0297 -8.9024 -8.9024 -8.8642 -8.8642 -6.5693 -6.5693 -6.5560 -6.5560 -6.5211 -6.5211 -6.4771 -6.4771 -6.1460 -6.1460 -6.0923 -6.0923 -6.0566 -6.0566 -5.9791 -5.9791 -5.9602 -5.9602 -5.9483 -5.9483 -0.7428 -0.7428 7.5296 7.5296 8.1900 8.1900 8.2904 8.2904 8.6155 8.6155 9.1100 9.1100 12.1984 12.1984 12.2940 12.2940 k = 0.0238 0.0137-0.0000 ( 2571 PWs) bands (ev): -27.2478 -27.2478 -10.0299 -10.0299 -8.9025 -8.9025 -8.8647 -8.8647 -6.5695 -6.5695 -6.5560 -6.5560 -6.5211 -6.5211 -6.4775 -6.4775 -6.1468 -6.1468 -6.0910 -6.0910 -6.0565 -6.0565 -5.9793 -5.9793 -5.9602 -5.9602 -5.9477 -5.9477 -0.7381 -0.7381 7.5298 7.5298 8.1088 8.1088 8.2671 8.2671 8.6208 8.6208 9.2086 9.2086 12.1245 12.1245 12.2707 12.2707 k = 0.0357 0.0206-0.0000 ( 2575 PWs) bands (ev): -27.2477 -27.2477 -10.0303 -10.0303 -8.9027 -8.9027 -8.8654 -8.8654 -6.5699 -6.5699 -6.5560 -6.5560 -6.5211 -6.5211 -6.4781 -6.4781 -6.1482 -6.1482 -6.0890 -6.0890 -6.0565 -6.0565 -5.9797 -5.9797 -5.9602 -5.9602 -5.9467 -5.9467 -0.7302 -0.7302 7.5301 7.5301 7.9819 7.9819 8.2522 8.2522 8.6295 8.6295 9.3404 9.3404 12.0180 12.0180 12.2558 12.2558 k = 0.0476 0.0275-0.0000 ( 2575 PWs) bands (ev): -27.2477 -27.2477 -10.0307 -10.0307 -8.9029 -8.9029 -8.8664 -8.8664 -6.5705 -6.5705 -6.5561 -6.5561 -6.5210 -6.5210 -6.4790 -6.4790 -6.1499 -6.1499 -6.0862 -6.0862 -6.0565 -6.0565 -5.9801 -5.9801 -5.9602 -5.9602 -5.9454 -5.9454 -0.7193 -0.7193 7.5306 7.5306 7.8332 7.8332 8.2385 8.2385 8.6417 8.6417 9.4879 9.4879 11.9019 11.9019 12.2433 12.2433 k = 0.0595 0.0344-0.0000 ( 2575 PWs) bands (ev): -27.2476 -27.2476 -10.0313 -10.0313 -8.9033 -8.9033 -8.8677 -8.8677 -6.5711 -6.5711 -6.5561 -6.5561 -6.5210 -6.5210 -6.4801 -6.4801 -6.1518 -6.1518 -6.0830 -6.0830 -6.0564 -6.0564 -5.9807 -5.9807 -5.9600 -5.9600 -5.9438 -5.9438 -0.7052 -0.7052 7.5311 7.5311 7.6741 7.6741 8.2232 8.2232 8.6572 8.6572 9.6416 9.6416 11.7864 11.7864 12.2319 12.2319 k = 0.0714 0.0412-0.0000 ( 2571 PWs) bands (ev): -27.2474 -27.2474 -10.0321 -10.0321 -8.9037 -8.9037 -8.8692 -8.8692 -6.5719 -6.5719 -6.5562 -6.5562 -6.5209 -6.5209 -6.4814 -6.4814 -6.1539 -6.1539 -6.0794 -6.0794 -6.0563 -6.0563 -5.9812 -5.9812 -5.9597 -5.9597 -5.9419 -5.9419 -0.6881 -0.6881 7.5060 7.5060 7.5353 7.5353 8.2057 8.2057 8.6758 8.6758 9.7954 9.7954 11.6771 11.6771 12.2220 12.2220 k = 0.0833 0.0481-0.0000 ( 2573 PWs) bands (ev): -27.2473 -27.2473 -10.0329 -10.0329 -8.9043 -8.9043 -8.8709 -8.8709 -6.5729 -6.5729 -6.5563 -6.5563 -6.5208 -6.5208 -6.4830 -6.4830 -6.1561 -6.1561 -6.0755 -6.0755 -6.0563 -6.0563 -5.9819 -5.9819 -5.9594 -5.9594 -5.9399 -5.9399 -0.6678 -0.6678 7.3404 7.3404 7.5342 7.5342 8.1858 8.1858 8.6976 8.6976 9.9442 9.9442 11.5790 11.5790 12.2142 12.2142 k = 0.0952 0.0550-0.0000 ( 2577 PWs) bands (ev): -27.2471 -27.2471 -10.0339 -10.0339 -8.9049 -8.9049 -8.8728 -8.8728 -6.5740 -6.5740 -6.5565 -6.5565 -6.5207 -6.5207 -6.4847 -6.4847 -6.1583 -6.1583 -6.0715 -6.0715 -6.0561 -6.0561 -5.9825 -5.9825 -5.9589 -5.9589 -5.9377 -5.9377 -0.6444 -0.6444 7.1710 7.1710 7.5355 7.5355 8.1635 8.1635 8.7221 8.7221 10.0820 10.0820 11.4980 11.4980 12.2093 12.2093 k = 0.1071 0.0619-0.0000 ( 2581 PWs) bands (ev): -27.2469 -27.2469 -10.0350 -10.0350 -8.9057 -8.9057 -8.8749 -8.8749 -6.5752 -6.5752 -6.5567 -6.5567 -6.5207 -6.5207 -6.4865 -6.4865 -6.1604 -6.1604 -6.0675 -6.0675 -6.0559 -6.0559 -5.9831 -5.9831 -5.9584 -5.9584 -5.9353 -5.9353 -0.6180 -0.6180 7.0007 7.0007 7.5373 7.5373 8.1390 8.1390 8.7491 8.7491 10.2008 10.2008 11.4418 11.4418 12.2078 12.2078 k = 0.1190 0.0687-0.0000 ( 2581 PWs) bands (ev): -27.2467 -27.2467 -10.0362 -10.0362 -8.9067 -8.9067 -8.8770 -8.8770 -6.5765 -6.5765 -6.5569 -6.5569 -6.5206 -6.5206 -6.4884 -6.4884 -6.1625 -6.1625 -6.0637 -6.0637 -6.0555 -6.0555 -5.9836 -5.9836 -5.9577 -5.9577 -5.9328 -5.9328 -0.5886 -0.5886 6.8302 6.8302 7.5395 7.5395 8.1125 8.1125 8.7784 8.7784 10.2913 10.2913 11.4200 11.4200 12.2101 12.2101 k = 0.1310 0.0756-0.0000 ( 2569 PWs) bands (ev): -27.2465 -27.2465 -10.0375 -10.0375 -8.9079 -8.9079 -8.8792 -8.8792 -6.5778 -6.5778 -6.5572 -6.5572 -6.5205 -6.5205 -6.4904 -6.4904 -6.1644 -6.1644 -6.0607 -6.0607 -6.0542 -6.0542 -5.9839 -5.9839 -5.9568 -5.9568 -5.9302 -5.9302 -0.5561 -0.5561 6.6598 6.6598 7.5422 7.5422 8.0840 8.0840 8.8093 8.8093 10.3453 10.3453 11.4406 11.4406 12.2165 12.2165 k = 0.1429 0.0825-0.0000 ( 2573 PWs) bands (ev): -27.2463 -27.2463 -10.0389 -10.0389 -8.9093 -8.9093 -8.8814 -8.8814 -6.5793 -6.5793 -6.5577 -6.5577 -6.5205 -6.5205 -6.4924 -6.4924 -6.1663 -6.1663 -6.0592 -6.0592 -6.0516 -6.0516 -5.9842 -5.9842 -5.9559 -5.9559 -5.9275 -5.9275 -0.5206 -0.5206 6.4899 6.4899 7.5453 7.5453 8.0539 8.0539 8.8415 8.8415 10.3617 10.3617 11.5046 11.5046 12.2271 12.2271 k = 0.1548 0.0894-0.0000 ( 2577 PWs) bands (ev): -27.2460 -27.2460 -10.0404 -10.0404 -8.9110 -8.9110 -8.8836 -8.8836 -6.5808 -6.5808 -6.5582 -6.5582 -6.5205 -6.5205 -6.4944 -6.4944 -6.1681 -6.1681 -6.0588 -6.0588 -6.0481 -6.0481 -5.9843 -5.9843 -5.9549 -5.9549 -5.9247 -5.9247 -0.4821 -0.4821 6.3206 6.3206 7.5489 7.5489 8.0224 8.0224 8.8740 8.8740 10.3479 10.3479 11.6043 11.6043 12.2422 12.2422 k = 0.1667 0.0962-0.0000 ( 2573 PWs) bands (ev): -27.2458 -27.2458 -10.0419 -10.0419 -8.9130 -8.9130 -8.8856 -8.8856 -6.5824 -6.5824 -6.5589 -6.5589 -6.5204 -6.5204 -6.4964 -6.4964 -6.1696 -6.1696 -6.0589 -6.0589 -6.0444 -6.0444 -5.9842 -5.9842 -5.9537 -5.9537 -5.9218 -5.9218 -0.4406 -0.4406 6.1521 6.1521 7.5530 7.5530 7.9897 7.9897 8.9060 8.9060 10.3152 10.3152 11.7276 11.7276 12.2615 12.2615 k = 0.1786 0.1031-0.0000 ( 2569 PWs) bands (ev): -27.2455 -27.2455 -10.0436 -10.0436 -8.9153 -8.9153 -8.8875 -8.8875 -6.5840 -6.5840 -6.5597 -6.5597 -6.5204 -6.5204 -6.4983 -6.4983 -6.1711 -6.1711 -6.0592 -6.0592 -6.0408 -6.0408 -5.9839 -5.9839 -5.9523 -5.9523 -5.9189 -5.9189 -0.3962 -0.3962 5.9846 5.9846 7.5577 7.5577 7.9561 7.9561 8.9363 8.9363 10.2737 10.2737 11.8627 11.8627 12.2852 12.2852 k = 0.1905 0.1100-0.0000 ( 2573 PWs) bands (ev): -27.2452 -27.2452 -10.0453 -10.0453 -8.9179 -8.9179 -8.8892 -8.8892 -6.5857 -6.5857 -6.5606 -6.5606 -6.5204 -6.5204 -6.5001 -6.5001 -6.1724 -6.1724 -6.0598 -6.0598 -6.0374 -6.0374 -5.9834 -5.9834 -5.9507 -5.9507 -5.9159 -5.9159 -0.3490 -0.3490 5.8182 5.8182 7.5630 7.5630 7.9217 7.9217 8.9634 8.9634 10.2311 10.2311 11.9984 11.9984 12.3128 12.3128 k = 0.2024 0.1168-0.0000 ( 2579 PWs) bands (ev): -27.2450 -27.2450 -10.0471 -10.0471 -8.9208 -8.9208 -8.8907 -8.8907 -6.5874 -6.5874 -6.5618 -6.5618 -6.5205 -6.5205 -6.5018 -6.5018 -6.1736 -6.1736 -6.0605 -6.0605 -6.0343 -6.0343 -5.9828 -5.9828 -5.9490 -5.9490 -5.9129 -5.9129 -0.2988 -0.2988 5.6529 5.6529 7.5688 7.5688 7.8869 7.8869 8.9858 8.9858 10.1930 10.1930 12.1227 12.1227 12.3418 12.3418 k = 0.2143 0.1237-0.0000 ( 2581 PWs) bands (ev): -27.2447 -27.2447 -10.0489 -10.0489 -8.9240 -8.9240 -8.8920 -8.8920 -6.5892 -6.5892 -6.5631 -6.5631 -6.5205 -6.5205 -6.5033 -6.5033 -6.1746 -6.1746 -6.0614 -6.0614 -6.0315 -6.0315 -5.9820 -5.9820 -5.9470 -5.9470 -5.9099 -5.9099 -0.2458 -0.2458 5.4890 5.4890 7.5753 7.5753 7.8518 7.8518 9.0018 9.0018 10.1635 10.1635 12.2223 12.2223 12.2986 12.2986 k = 0.2262 0.1306-0.0000 ( 2589 PWs) bands (ev): -27.2444 -27.2444 -10.0508 -10.0508 -8.9274 -8.9274 -8.8931 -8.8931 -6.5909 -6.5909 -6.5646 -6.5646 -6.5205 -6.5205 -6.5046 -6.5046 -6.1754 -6.1754 -6.0624 -6.0624 -6.0290 -6.0290 -5.9811 -5.9811 -5.9448 -5.9448 -5.9070 -5.9070 -0.1900 -0.1900 5.3264 5.3264 7.5823 7.5823 7.8168 7.8168 9.0099 9.0099 10.1458 10.1458 12.2154 12.2154 12.2875 12.2875 k = 0.2381 0.1375-0.0000 ( 2581 PWs) bands (ev): -27.2440 -27.2440 -10.0527 -10.0527 -8.9309 -8.9309 -8.8941 -8.8941 -6.5926 -6.5926 -6.5663 -6.5663 -6.5206 -6.5206 -6.5057 -6.5057 -6.1761 -6.1761 -6.0635 -6.0635 -6.0268 -6.0268 -5.9801 -5.9801 -5.9423 -5.9423 -5.9040 -5.9040 -0.1315 -0.1315 5.1653 5.1653 7.5899 7.5899 7.7821 7.7821 9.0090 9.0090 10.1419 10.1419 12.1277 12.1277 12.3063 12.3063 k = 0.2500 0.1443-0.0000 ( 2577 PWs) bands (ev): -27.2437 -27.2437 -10.0546 -10.0546 -8.9346 -8.9346 -8.8950 -8.8950 -6.5943 -6.5943 -6.5681 -6.5681 -6.5206 -6.5206 -6.5066 -6.5066 -6.1766 -6.1766 -6.0648 -6.0648 -6.0248 -6.0248 -5.9792 -5.9792 -5.9395 -5.9395 -5.9011 -5.9011 -0.0702 -0.0702 5.0058 5.0058 7.5977 7.5977 7.7480 7.7480 8.9989 8.9989 10.1526 10.1526 12.0372 12.0372 12.2859 12.2859 k = 0.2619 0.1512-0.0000 ( 2577 PWs) bands (ev): -27.2434 -27.2434 -10.0565 -10.0565 -8.9383 -8.9383 -8.8958 -8.8958 -6.5960 -6.5960 -6.5701 -6.5701 -6.5206 -6.5206 -6.5074 -6.5074 -6.1770 -6.1770 -6.0662 -6.0662 -6.0231 -6.0231 -5.9782 -5.9782 -5.9365 -5.9365 -5.8982 -5.8982 -0.0063 -0.0063 4.8479 4.8479 7.6055 7.6055 7.7152 7.7152 8.9801 8.9801 10.1776 10.1776 11.9453 11.9453 12.2622 12.2622 k = 0.2738 0.1581-0.0000 ( 2579 PWs) bands (ev): -27.2431 -27.2431 -10.0584 -10.0584 -8.9421 -8.9421 -8.8965 -8.8965 -6.5976 -6.5976 -6.5722 -6.5722 -6.5206 -6.5206 -6.5080 -6.5080 -6.1772 -6.1772 -6.0677 -6.0677 -6.0215 -6.0215 -5.9774 -5.9774 -5.9333 -5.9333 -5.8954 -5.8954 0.0602 0.0602 4.6918 4.6918 7.6119 7.6119 7.6850 7.6850 8.9540 8.9540 10.2160 10.2160 11.8532 11.8532 12.2386 12.2386 k = 0.2857 0.1650-0.0000 ( 2579 PWs) bands (ev): -27.2428 -27.2428 -10.0603 -10.0603 -8.9459 -8.9459 -8.8971 -8.8971 -6.5991 -6.5991 -6.5745 -6.5745 -6.5206 -6.5206 -6.5085 -6.5085 -6.1773 -6.1773 -6.0694 -6.0694 -6.0202 -6.0202 -5.9766 -5.9766 -5.9299 -5.9299 -5.8927 -5.8927 0.1292 0.1292 4.5376 4.5376 7.6121 7.6121 7.6624 7.6624 8.9221 8.9221 10.2661 10.2661 11.7616 11.7616 12.2155 12.2155 k = 0.2976 0.1718-0.0000 ( 2579 PWs) bands (ev): -27.2425 -27.2425 -10.0622 -10.0622 -8.9497 -8.9497 -8.8977 -8.8977 -6.6006 -6.6006 -6.5768 -6.5768 -6.5205 -6.5205 -6.5089 -6.5089 -6.1773 -6.1773 -6.0711 -6.0711 -6.0189 -6.0189 -5.9759 -5.9759 -5.9264 -5.9264 -5.8901 -5.8901 0.2007 0.2007 4.3853 4.3853 7.5973 7.5973 7.6564 7.6564 8.8861 8.8861 10.3262 10.3262 11.6715 11.6715 12.1931 12.1931 k = 0.3095 0.1787-0.0000 ( 2577 PWs) bands (ev): -27.2422 -27.2422 -10.0641 -10.0641 -8.9534 -8.9534 -8.8982 -8.8982 -6.6021 -6.6021 -6.5792 -6.5792 -6.5204 -6.5204 -6.5092 -6.5092 -6.1771 -6.1771 -6.0729 -6.0729 -6.0178 -6.0178 -5.9753 -5.9753 -5.9227 -5.9227 -5.8876 -5.8876 0.2746 0.2746 4.2352 4.2352 7.5723 7.5723 7.6621 7.6621 8.8476 8.8476 10.3946 10.3946 11.5833 11.5833 12.1714 12.1714 k = 0.3214 0.1856-0.0000 ( 2577 PWs) bands (ev): -27.2420 -27.2420 -10.0659 -10.0659 -8.9570 -8.9570 -8.8987 -8.8987 -6.6034 -6.6034 -6.5816 -6.5816 -6.5203 -6.5203 -6.5095 -6.5095 -6.1769 -6.1769 -6.0748 -6.0748 -6.0167 -6.0167 -5.9749 -5.9749 -5.9191 -5.9191 -5.8853 -5.8853 0.3507 0.3507 4.0872 4.0872 7.5450 7.5450 7.6718 7.6718 8.8078 8.8078 10.4699 10.4699 11.4978 11.4978 12.1507 12.1507 k = 0.3333 0.1925-0.0000 ( 2581 PWs) bands (ev): -27.2417 -27.2417 -10.0676 -10.0676 -8.9604 -8.9604 -8.8991 -8.8991 -6.6047 -6.6047 -6.5841 -6.5841 -6.5201 -6.5201 -6.5096 -6.5096 -6.1765 -6.1765 -6.0767 -6.0767 -6.0158 -6.0158 -5.9745 -5.9745 -5.9154 -5.9154 -5.8831 -5.8831 0.4290 0.4290 3.9416 3.9416 7.5180 7.5180 7.6828 7.6828 8.7679 8.7679 10.5505 10.5505 11.4154 11.4154 12.1310 12.1310 k = 0.3452 0.1993-0.0000 ( 2581 PWs) bands (ev): -27.2414 -27.2414 -10.0693 -10.0693 -8.9638 -8.9638 -8.8995 -8.8995 -6.6058 -6.6058 -6.5865 -6.5865 -6.5199 -6.5199 -6.5098 -6.5098 -6.1760 -6.1760 -6.0787 -6.0787 -6.0149 -6.0149 -5.9742 -5.9742 -5.9118 -5.9118 -5.8810 -5.8810 0.5092 0.5092 3.7986 3.7986 7.4920 7.4920 7.6945 7.6945 8.7286 8.7286 10.6353 10.6353 11.3367 11.3367 12.1123 12.1123 k = 0.3571 0.2062-0.0000 ( 2577 PWs) bands (ev): -27.2412 -27.2412 -10.0709 -10.0709 -8.9669 -8.9669 -8.8999 -8.8999 -6.6068 -6.6068 -6.5888 -6.5888 -6.5197 -6.5197 -6.5099 -6.5099 -6.1754 -6.1754 -6.0806 -6.0806 -6.0141 -6.0141 -5.9740 -5.9740 -5.9083 -5.9083 -5.8791 -5.8791 0.5912 0.5912 3.6583 3.6583 7.4673 7.4673 7.7065 7.7065 8.6907 8.6907 10.7230 10.7230 11.2620 11.2620 12.0947 12.0947 k = 0.3690 0.2131-0.0000 ( 2571 PWs) bands (ev): -27.2410 -27.2410 -10.0724 -10.0724 -8.9699 -8.9699 -8.9002 -8.9002 -6.6078 -6.6078 -6.5911 -6.5911 -6.5194 -6.5194 -6.5099 -6.5099 -6.1748 -6.1748 -6.0826 -6.0826 -6.0133 -6.0133 -5.9738 -5.9738 -5.9048 -5.9048 -5.8774 -5.8774 0.6748 0.6748 3.5211 3.5211 7.4442 7.4442 7.7185 7.7185 8.6545 8.6545 10.8122 10.8122 11.1917 11.1917 12.0784 12.0784 k = 0.3810 0.2199-0.0000 ( 2581 PWs) bands (ev): -27.2407 -27.2407 -10.0738 -10.0738 -8.9727 -8.9727 -8.9005 -8.9005 -6.6086 -6.6086 -6.5933 -6.5933 -6.5192 -6.5192 -6.5100 -6.5100 -6.1741 -6.1741 -6.0845 -6.0845 -6.0127 -6.0127 -5.9737 -5.9737 -5.9015 -5.9015 -5.8759 -5.8759 0.7596 0.7596 3.3872 3.3872 7.4227 7.4227 7.7303 7.7303 8.6206 8.6206 10.9015 10.9015 11.1264 11.1264 12.0633 12.0633 k = 0.3929 0.2268-0.0000 ( 2577 PWs) bands (ev): -27.2405 -27.2405 -10.0752 -10.0752 -8.9752 -8.9752 -8.9007 -8.9007 -6.6093 -6.6093 -6.5955 -6.5955 -6.5190 -6.5190 -6.5100 -6.5100 -6.1734 -6.1734 -6.0863 -6.0863 -6.0120 -6.0120 -5.9736 -5.9736 -5.8984 -5.8984 -5.8745 -5.8745 0.8452 0.8452 3.2571 3.2571 7.4030 7.4030 7.7418 7.7418 8.5893 8.5893 10.9882 10.9882 11.0678 11.0678 12.0495 12.0495 k = 0.4048 0.2337-0.0000 ( 2577 PWs) bands (ev): -27.2404 -27.2404 -10.0763 -10.0763 -8.9776 -8.9776 -8.9009 -8.9009 -6.6098 -6.6098 -6.5975 -6.5975 -6.5187 -6.5187 -6.5100 -6.5100 -6.1726 -6.1726 -6.0880 -6.0880 -6.0114 -6.0114 -5.9735 -5.9735 -5.8955 -5.8955 -5.8734 -5.8734 0.9311 0.9311 3.1315 3.1315 7.3852 7.3852 7.7527 7.7527 8.5608 8.5608 11.0063 11.0063 11.0805 11.0805 12.0370 12.0370 k = 0.4167 0.2406-0.0000 ( 2579 PWs) bands (ev): -27.2402 -27.2402 -10.0774 -10.0774 -8.9797 -8.9797 -8.9011 -8.9011 -6.6102 -6.6102 -6.5994 -6.5994 -6.5186 -6.5186 -6.5101 -6.5101 -6.1719 -6.1719 -6.0896 -6.0896 -6.0109 -6.0109 -5.9735 -5.9735 -5.8928 -5.8928 -5.8724 -5.8724 1.0164 1.0164 3.0110 3.0110 7.3694 7.3694 7.7628 7.7628 8.5353 8.5353 10.9589 10.9589 11.1598 11.1598 12.0260 12.0260 k = 0.4286 0.2474-0.0000 ( 2587 PWs) bands (ev): -27.2401 -27.2401 -10.0784 -10.0784 -8.9815 -8.9815 -8.9013 -8.9013 -6.6105 -6.6105 -6.6012 -6.6012 -6.5184 -6.5184 -6.5101 -6.5101 -6.1712 -6.1712 -6.0911 -6.0911 -6.0105 -6.0105 -5.9735 -5.9735 -5.8904 -5.8904 -5.8716 -5.8716 1.1001 1.1001 2.8968 2.8968 7.3555 7.3555 7.7720 7.7720 8.5129 8.5129 10.9157 10.9157 11.2344 11.2344 12.0163 12.0163 k = 0.4405 0.2543-0.0000 ( 2595 PWs) bands (ev): -27.2399 -27.2399 -10.0792 -10.0792 -8.9830 -8.9830 -8.9015 -8.9015 -6.6106 -6.6106 -6.6028 -6.6028 -6.5182 -6.5182 -6.5101 -6.5101 -6.1706 -6.1706 -6.0925 -6.0925 -6.0101 -6.0101 -5.9736 -5.9736 -5.8883 -5.8883 -5.8710 -5.8710 1.1806 1.1806 2.7905 2.7905 7.3438 7.3438 7.7802 7.7802 8.4938 8.4938 10.8786 10.8786 11.3009 11.3009 12.0081 12.0081 k = 0.4524 0.2612-0.0000 ( 2591 PWs) bands (ev): -27.2398 -27.2398 -10.0799 -10.0799 -8.9843 -8.9843 -8.9016 -8.9016 -6.6106 -6.6106 -6.6043 -6.6043 -6.5181 -6.5181 -6.5101 -6.5101 -6.1701 -6.1701 -6.0936 -6.0936 -6.0098 -6.0098 -5.9735 -5.9735 -5.8865 -5.8865 -5.8706 -5.8706 1.2555 1.2555 2.6944 2.6944 7.3340 7.3340 7.7871 7.7871 8.4781 8.4781 10.8478 10.8478 11.3572 11.3572 12.0013 12.0013 k = 0.4643 0.2681-0.0000 ( 2583 PWs) bands (ev): -27.2397 -27.2397 -10.0804 -10.0804 -8.9853 -8.9853 -8.9017 -8.9017 -6.6103 -6.6103 -6.6056 -6.6056 -6.5179 -6.5179 -6.5101 -6.5101 -6.1696 -6.1696 -6.0944 -6.0944 -6.0095 -6.0095 -5.9736 -5.9736 -5.8850 -5.8850 -5.8703 -5.8703 1.3217 1.3217 2.6118 2.6118 7.3265 7.3265 7.7926 7.7926 8.4658 8.4658 10.8237 10.8237 11.4019 11.4019 11.9961 11.9961 k = 0.4762 0.2749-0.0000 ( 2583 PWs) bands (ev): -27.2397 -27.2397 -10.0808 -10.0808 -8.9861 -8.9861 -8.9017 -8.9017 -6.6100 -6.6100 -6.6068 -6.6068 -6.5178 -6.5178 -6.5101 -6.5101 -6.1692 -6.1692 -6.0951 -6.0951 -6.0093 -6.0093 -5.9736 -5.9736 -5.8839 -5.8839 -5.8701 -5.8701 1.3747 1.3747 2.5470 2.5470 7.3210 7.3210 7.7966 7.7966 8.4570 8.4570 10.8063 10.8063 11.4342 11.4342 11.9923 11.9923 k = 0.4881 0.2818-0.0000 ( 2587 PWs) bands (ev): -27.2397 -27.2397 -10.0810 -10.0810 -8.9865 -8.9865 -8.9018 -8.9018 -6.6095 -6.6095 -6.6078 -6.6078 -6.5178 -6.5178 -6.5101 -6.5101 -6.1690 -6.1690 -6.0955 -6.0955 -6.0092 -6.0092 -5.9736 -5.9736 -5.8832 -5.8832 -5.8700 -5.8700 1.4097 1.4097 2.5050 2.5050 7.3178 7.3178 7.7991 7.7991 8.4517 8.4517 10.7958 10.7958 11.4536 11.4536 11.9900 11.9900 k = 0.5000 0.2887-0.0000 ( 2584 PWs) bands (ev): -27.2396 -27.2396 -10.0811 -10.0811 -8.9866 -8.9866 -8.9018 -8.9018 -6.6091 -6.6091 -6.6083 -6.6083 -6.5178 -6.5178 -6.5101 -6.5101 -6.1689 -6.1689 -6.0957 -6.0957 -6.0092 -6.0092 -5.9736 -5.9736 -5.8830 -5.8830 -5.8700 -5.8700 1.4219 1.4219 2.4904 2.4904 7.3167 7.3167 7.7999 7.7999 8.4499 8.4499 10.7923 10.7923 11.4600 11.4600 11.9893 11.9893 k = 0.5000 0.2887-0.0000 ( 2584 PWs) bands (ev): -27.2396 -27.2396 -10.0811 -10.0811 -8.9866 -8.9866 -8.9018 -8.9018 -6.6091 -6.6091 -6.6083 -6.6083 -6.5178 -6.5178 -6.5101 -6.5101 -6.1689 -6.1689 -6.0957 -6.0957 -6.0092 -6.0092 -5.9736 -5.9736 -5.8830 -5.8830 -5.8700 -5.8700 1.4219 1.4219 2.4904 2.4904 7.3167 7.3167 7.7999 7.7999 8.4499 8.4499 10.7923 10.7923 11.4600 11.4600 11.9893 11.9893 k = 0.4933 0.3002-0.0000 ( 2588 PWs) bands (ev): -27.2396 -27.2396 -10.0811 -10.0811 -8.9866 -8.9866 -8.9019 -8.9019 -6.6110 -6.6110 -6.6065 -6.6065 -6.5178 -6.5178 -6.5100 -6.5100 -6.1689 -6.1689 -6.0957 -6.0957 -6.0092 -6.0092 -5.9735 -5.9735 -5.8839 -5.8839 -5.8690 -5.8690 1.4232 1.4232 2.4910 2.4910 7.2921 7.2921 7.8014 7.8014 8.4745 8.4745 10.7782 10.7782 11.4657 11.4657 12.0055 12.0055 k = 0.4867 0.3118-0.0000 ( 2592 PWs) bands (ev): -27.2396 -27.2396 -10.0811 -10.0811 -8.9865 -8.9865 -8.9022 -8.9022 -6.6133 -6.6133 -6.6044 -6.6044 -6.5179 -6.5179 -6.5097 -6.5097 -6.1689 -6.1689 -6.0958 -6.0958 -6.0094 -6.0094 -5.9734 -5.9734 -5.8860 -5.8860 -5.8668 -5.8668 1.4269 1.4269 2.4928 2.4928 7.2242 7.2242 7.8059 7.8059 8.5427 8.5427 10.7378 10.7378 11.4826 11.4826 12.0521 12.0521 k = 0.4800 0.3233-0.0000 ( 2588 PWs) bands (ev): -27.2396 -27.2396 -10.0812 -10.0812 -8.9864 -8.9864 -8.9026 -8.9026 -6.6157 -6.6157 -6.6024 -6.6024 -6.5181 -6.5181 -6.5093 -6.5093 -6.1688 -6.1688 -6.0959 -6.0959 -6.0097 -6.0097 -5.9732 -5.9732 -5.8887 -5.8887 -5.8638 -5.8638 1.4332 1.4332 2.4957 2.4957 7.1253 7.1253 7.8133 7.8133 8.6422 8.6422 10.6764 10.6764 11.5109 11.5109 12.1225 12.1225 k = 0.4733 0.3349-0.0000 ( 2584 PWs) bands (ev): -27.2396 -27.2396 -10.0813 -10.0813 -8.9862 -8.9862 -8.9033 -8.9033 -6.6180 -6.6180 -6.6005 -6.6005 -6.5182 -6.5182 -6.5086 -6.5086 -6.1686 -6.1686 -6.0961 -6.0961 -6.0101 -6.0101 -5.9728 -5.9728 -5.8915 -5.8915 -5.8606 -5.8606 1.4420 1.4420 2.4996 2.4996 7.0067 7.0067 7.8236 7.8236 8.7615 8.7615 10.5998 10.5998 11.5506 11.5506 12.1358 12.1358 k = 0.4667 0.3464-0.0000 ( 2584 PWs) bands (ev): -27.2396 -27.2396 -10.0814 -10.0814 -8.9859 -8.9859 -8.9041 -8.9041 -6.6205 -6.6205 -6.5988 -6.5988 -6.5184 -6.5184 -6.5079 -6.5079 -6.1684 -6.1684 -6.0964 -6.0964 -6.0106 -6.0106 -5.9724 -5.9724 -5.8943 -5.8943 -5.8572 -5.8572 1.4533 1.4533 2.5045 2.5045 6.8766 6.8766 7.8367 7.8367 8.8924 8.8924 10.5129 10.5129 11.6017 11.6017 12.0986 12.0986 k = 0.4600 0.3580-0.0000 ( 2588 PWs) bands (ev): -27.2395 -27.2395 -10.0816 -10.0816 -8.9856 -8.9856 -8.9051 -8.9051 -6.6229 -6.6229 -6.5971 -6.5971 -6.5186 -6.5186 -6.5071 -6.5071 -6.1682 -6.1682 -6.0967 -6.0967 -6.0112 -6.0112 -5.9720 -5.9720 -5.8971 -5.8971 -5.8538 -5.8538 1.4672 1.4672 2.5101 2.5101 6.7401 6.7401 7.8528 7.8528 9.0296 9.0296 10.4194 10.4194 11.6642 11.6642 12.0557 12.0557 k = 0.4533 0.3695-0.0000 ( 2588 PWs) bands (ev): -27.2395 -27.2395 -10.0817 -10.0817 -8.9852 -8.9852 -8.9062 -8.9062 -6.6253 -6.6253 -6.5956 -6.5956 -6.5188 -6.5188 -6.5063 -6.5063 -6.1679 -6.1679 -6.0971 -6.0971 -6.0119 -6.0119 -5.9715 -5.9715 -5.8999 -5.8999 -5.8504 -5.8504 1.4836 1.4836 2.5163 2.5163 6.6008 6.6008 7.8718 7.8718 9.1697 9.1697 10.3219 10.3219 11.7381 11.7381 12.0089 12.0089 k = 0.4467 0.3811-0.0000 ( 2582 PWs) bands (ev): -27.2394 -27.2394 -10.0819 -10.0819 -8.9848 -8.9848 -8.9075 -8.9075 -6.6277 -6.6277 -6.5941 -6.5941 -6.5189 -6.5189 -6.5054 -6.5054 -6.1675 -6.1675 -6.0976 -6.0976 -6.0125 -6.0125 -5.9709 -5.9709 -5.9025 -5.9025 -5.8470 -5.8470 1.5025 1.5025 2.5228 2.5228 6.4608 6.4608 7.8937 7.8937 9.3104 9.3104 10.2222 10.2222 11.8228 11.8228 11.9597 11.9597 k = 0.4400 0.3926-0.0000 ( 2582 PWs) bands (ev): -27.2394 -27.2394 -10.0821 -10.0821 -8.9844 -8.9844 -8.9089 -8.9089 -6.6300 -6.6300 -6.5928 -6.5928 -6.5190 -6.5190 -6.5044 -6.5044 -6.1671 -6.1671 -6.0982 -6.0982 -6.0133 -6.0133 -5.9703 -5.9703 -5.9049 -5.9049 -5.8437 -5.8437 1.5239 1.5239 2.5293 2.5293 6.3218 6.3218 7.9185 7.9185 9.4502 9.4502 10.1216 10.1216 11.8993 11.8993 11.9277 11.9277 k = 0.4333 0.4041-0.0000 ( 2580 PWs) bands (ev): -27.2393 -27.2393 -10.0824 -10.0824 -8.9839 -8.9839 -8.9103 -8.9103 -6.6322 -6.6322 -6.5916 -6.5916 -6.5191 -6.5191 -6.5035 -6.5035 -6.1667 -6.1667 -6.0988 -6.0988 -6.0140 -6.0140 -5.9697 -5.9697 -5.9072 -5.9072 -5.8404 -5.8404 1.5479 1.5479 2.5354 2.5354 6.1852 6.1852 7.9462 7.9462 9.5878 9.5878 10.0212 10.0212 11.8534 11.8534 12.0269 12.0269 k = 0.4267 0.4157-0.0000 ( 2576 PWs) bands (ev): -27.2393 -27.2393 -10.0826 -10.0826 -8.9834 -8.9834 -8.9119 -8.9119 -6.6345 -6.6345 -6.5905 -6.5905 -6.5191 -6.5191 -6.5025 -6.5025 -6.1662 -6.1662 -6.0995 -6.0995 -6.0147 -6.0147 -5.9690 -5.9690 -5.9094 -5.9094 -5.8372 -5.8372 1.5745 1.5745 2.5408 2.5408 6.0521 6.0521 7.9767 7.9767 9.7214 9.7214 9.9229 9.9229 11.8007 11.8007 12.1411 12.1411 k = 0.4200 0.4272-0.0000 ( 2580 PWs) bands (ev): -27.2392 -27.2392 -10.0829 -10.0829 -8.9829 -8.9829 -8.9135 -8.9135 -6.6366 -6.6366 -6.5896 -6.5896 -6.5192 -6.5192 -6.5016 -6.5016 -6.1657 -6.1657 -6.1003 -6.1003 -6.0154 -6.0154 -5.9684 -5.9684 -5.9114 -5.9114 -5.8342 -5.8342 1.6036 1.6036 2.5449 2.5449 5.9233 5.9233 8.0102 8.0102 9.8038 9.8038 9.8739 9.8739 11.7477 11.7477 12.2616 12.2616 k = 0.4133 0.4388-0.0000 ( 2582 PWs) bands (ev): -27.2391 -27.2391 -10.0831 -10.0831 -8.9824 -8.9824 -8.9151 -8.9151 -6.6386 -6.6386 -6.5887 -6.5887 -6.5192 -6.5192 -6.5007 -6.5007 -6.1652 -6.1652 -6.1011 -6.1011 -6.0160 -6.0160 -5.9678 -5.9678 -5.9132 -5.9132 -5.8314 -5.8314 1.6352 1.6352 2.5473 2.5473 5.7998 5.7998 8.0464 8.0464 9.7177 9.7177 9.9916 9.9916 11.6951 11.6951 12.3840 12.3840 k = 0.4067 0.4503-0.0000 ( 2582 PWs) bands (ev): -27.2391 -27.2391 -10.0834 -10.0834 -8.9819 -8.9819 -8.9167 -8.9167 -6.6406 -6.6406 -6.5880 -6.5880 -6.5191 -6.5191 -6.4998 -6.4998 -6.1646 -6.1646 -6.1020 -6.1020 -6.0167 -6.0167 -5.9672 -5.9672 -5.9149 -5.9149 -5.8287 -5.8287 1.6695 1.6695 2.5473 2.5473 5.6826 5.6826 8.0856 8.0856 9.6223 9.6223 10.1170 10.1170 11.6433 11.6433 12.4991 12.4991 k = 0.4000 0.4619-0.0000 ( 2574 PWs) bands (ev): -27.2390 -27.2390 -10.0837 -10.0837 -8.9814 -8.9814 -8.9182 -8.9182 -6.6424 -6.6424 -6.5873 -6.5873 -6.5191 -6.5191 -6.4989 -6.4989 -6.1639 -6.1639 -6.1029 -6.1029 -6.0172 -6.0172 -5.9666 -5.9666 -5.9163 -5.9163 -5.8261 -5.8261 1.7063 1.7063 2.5444 2.5444 5.5724 5.5724 8.1276 8.1276 9.5279 9.5279 10.2402 10.2402 11.5925 11.5925 12.5908 12.5908 k = 0.3933 0.4734-0.0000 ( 2576 PWs) bands (ev): -27.2389 -27.2389 -10.0840 -10.0840 -8.9809 -8.9809 -8.9198 -8.9198 -6.6440 -6.6440 -6.5868 -6.5868 -6.5191 -6.5191 -6.4982 -6.4982 -6.1633 -6.1633 -6.1039 -6.1039 -6.0178 -6.0178 -5.9660 -5.9660 -5.9177 -5.9177 -5.8238 -5.8238 1.7458 1.7458 2.5377 2.5377 5.4702 5.4702 8.1724 8.1724 9.4351 9.4351 10.3605 10.3605 11.5430 11.5430 12.6377 12.6377 k = 0.3867 0.4850-0.0000 ( 2576 PWs) bands (ev): -27.2389 -27.2389 -10.0842 -10.0842 -8.9805 -8.9805 -8.9212 -8.9212 -6.6455 -6.6455 -6.5863 -6.5863 -6.5190 -6.5190 -6.4975 -6.4975 -6.1626 -6.1626 -6.1049 -6.1049 -6.0182 -6.0182 -5.9655 -5.9655 -5.9188 -5.9188 -5.8216 -5.8216 1.7878 1.7878 2.5267 2.5267 5.3767 5.3767 8.2200 8.2200 9.3444 9.3444 10.4778 10.4778 11.4949 11.4949 12.6344 12.6344 k = 0.3800 0.4965-0.0000 ( 2568 PWs) bands (ev): -27.2388 -27.2388 -10.0845 -10.0845 -8.9801 -8.9801 -8.9225 -8.9225 -6.6469 -6.6469 -6.5859 -6.5859 -6.5189 -6.5189 -6.4968 -6.4968 -6.1620 -6.1620 -6.1058 -6.1058 -6.0186 -6.0186 -5.9649 -5.9649 -5.9198 -5.9198 -5.8197 -5.8197 1.8325 1.8325 2.5105 2.5105 5.2928 5.2928 8.2704 8.2704 9.2557 9.2557 10.5916 10.5916 11.4486 11.4486 12.5968 12.5968 k = 0.3733 0.5081-0.0000 ( 2568 PWs) bands (ev): -27.2388 -27.2388 -10.0847 -10.0847 -8.9798 -8.9798 -8.9237 -8.9237 -6.6481 -6.6481 -6.5856 -6.5856 -6.5189 -6.5189 -6.4963 -6.4963 -6.1613 -6.1613 -6.1068 -6.1068 -6.0190 -6.0190 -5.9645 -5.9645 -5.9206 -5.9206 -5.8180 -5.8180 1.8797 1.8797 2.4887 2.4887 5.2192 5.2192 8.3236 8.3236 9.1692 9.1692 10.7016 10.7016 11.4040 11.4040 12.5420 12.5420 k = 0.3667 0.5196-0.0000 ( 2560 PWs) bands (ev): -27.2387 -27.2387 -10.0850 -10.0850 -8.9795 -8.9795 -8.9247 -8.9247 -6.6491 -6.6491 -6.5854 -6.5854 -6.5188 -6.5188 -6.4958 -6.4958 -6.1607 -6.1607 -6.1076 -6.1076 -6.0192 -6.0192 -5.9640 -5.9640 -5.9213 -5.9213 -5.8165 -5.8165 1.9296 1.9296 2.4606 2.4606 5.1566 5.1566 8.3796 8.3796 9.0850 9.0850 10.8068 10.8068 11.3614 11.3614 12.4807 12.4807 k = 0.3600 0.5312-0.0000 ( 2556 PWs) bands (ev): -27.2387 -27.2387 -10.0852 -10.0852 -8.9793 -8.9793 -8.9256 -8.9256 -6.6499 -6.6499 -6.5851 -6.5851 -6.5187 -6.5187 -6.4954 -6.4954 -6.1602 -6.1602 -6.1084 -6.1084 -6.0195 -6.0195 -5.9637 -5.9637 -5.9218 -5.9218 -5.8153 -5.8153 1.9822 1.9822 2.4258 2.4258 5.1053 5.1053 8.4383 8.4383 9.0032 9.0032 10.9056 10.9056 11.3209 11.3209 12.4192 12.4192 k = 0.3533 0.5427-0.0000 ( 2552 PWs) bands (ev): -27.2387 -27.2387 -10.0853 -10.0853 -8.9792 -8.9792 -8.9262 -8.9262 -6.6506 -6.6506 -6.5850 -6.5850 -6.5187 -6.5187 -6.4951 -6.4951 -6.1597 -6.1597 -6.1090 -6.1090 -6.0196 -6.0196 -5.9634 -5.9634 -5.9222 -5.9222 -5.8144 -5.8144 2.0373 2.0373 2.3842 2.3842 5.0656 5.0656 8.4997 8.4997 8.9238 8.9238 10.9958 10.9958 11.2827 11.2827 12.3628 12.3628 k = 0.3467 0.5543-0.0000 ( 2552 PWs) bands (ev): -27.2386 -27.2386 -10.0854 -10.0854 -8.9791 -8.9791 -8.9267 -8.9267 -6.6511 -6.6511 -6.5849 -6.5849 -6.5186 -6.5186 -6.4949 -6.4949 -6.1594 -6.1594 -6.1095 -6.1095 -6.0198 -6.0198 -5.9632 -5.9632 -5.9224 -5.9224 -5.8137 -5.8137 2.0952 2.0952 2.3358 2.3358 5.0375 5.0375 8.5638 8.5638 8.8468 8.8468 11.0739 11.0739 11.2469 11.2469 12.3162 12.3162 k = 0.3400 0.5658-0.0000 ( 2558 PWs) bands (ev): -27.2386 -27.2386 -10.0855 -10.0855 -8.9791 -8.9791 -8.9270 -8.9270 -6.6513 -6.6513 -6.5849 -6.5849 -6.5186 -6.5186 -6.4948 -6.4948 -6.1592 -6.1592 -6.1099 -6.1099 -6.0198 -6.0198 -5.9631 -5.9631 -5.9226 -5.9226 -5.8133 -5.8133 2.1556 2.1556 2.2807 2.2807 5.0210 5.0210 8.6307 8.6307 8.7723 8.7723 11.1349 11.1349 11.2144 11.2144 12.2847 12.2847 k = 0.3333 0.5774-0.0000 ( 2556 PWs) bands (ev): -27.2386 -27.2386 -10.0855 -10.0855 -8.9791 -8.9791 -8.9271 -8.9271 -6.6514 -6.6514 -6.5849 -6.5849 -6.5186 -6.5186 -6.4948 -6.4948 -6.1591 -6.1591 -6.1100 -6.1100 -6.0199 -6.0199 -5.9630 -5.9630 -5.9226 -5.9226 -5.8132 -5.8132 2.2143 2.2143 2.2236 2.2236 5.0156 5.0156 8.6989 8.6989 8.7014 8.7014 11.1650 11.1650 11.1947 11.1947 12.2732 12.2732 k = 0.3333 0.5774-0.0000 ( 2556 PWs) bands (ev): -27.2386 -27.2386 -10.0855 -10.0855 -8.9791 -8.9791 -8.9271 -8.9271 -6.6514 -6.6514 -6.5849 -6.5849 -6.5186 -6.5186 -6.4948 -6.4948 -6.1591 -6.1591 -6.1100 -6.1100 -6.0199 -6.0199 -5.9630 -5.9630 -5.9226 -5.9226 -5.8132 -5.8132 2.2143 2.2143 2.2236 2.2236 5.0156 5.0156 8.6989 8.6989 8.7014 8.7014 11.1650 11.1650 11.1947 11.1947 12.2732 12.2732 k = 0.3265 0.5656-0.0000 ( 2559 PWs) bands (ev): -27.2386 -27.2386 -10.0855 -10.0855 -8.9791 -8.9791 -8.9270 -8.9270 -6.6513 -6.6513 -6.5849 -6.5849 -6.5186 -6.5186 -6.4948 -6.4948 -6.1592 -6.1592 -6.1099 -6.1099 -6.0198 -6.0198 -5.9631 -5.9631 -5.9226 -5.9226 -5.8133 -5.8133 2.1500 2.1500 2.2864 2.2864 5.0210 5.0210 8.6292 8.6292 8.7738 8.7738 11.1458 11.1458 11.2024 11.2024 12.2860 12.2860 k = 0.3197 0.5538-0.0000 ( 2557 PWs) bands (ev): -27.2386 -27.2386 -10.0854 -10.0854 -8.9791 -8.9791 -8.9267 -8.9267 -6.6510 -6.6510 -6.5849 -6.5849 -6.5186 -6.5186 -6.4949 -6.4949 -6.1594 -6.1594 -6.1095 -6.1095 -6.0198 -6.0198 -5.9632 -5.9632 -5.9225 -5.9225 -5.8138 -5.8138 2.0759 2.0759 2.3563 2.3563 5.0368 5.0368 8.5608 8.5608 8.8502 8.8502 11.1196 11.1196 11.1943 11.1943 12.3239 12.3239 k = 0.3129 0.5420-0.0000 ( 2553 PWs) bands (ev): -27.2387 -27.2387 -10.0853 -10.0853 -8.9790 -8.9790 -8.9263 -8.9263 -6.6505 -6.6505 -6.5849 -6.5849 -6.5187 -6.5187 -6.4951 -6.4951 -6.1598 -6.1598 -6.1089 -6.1089 -6.0196 -6.0196 -5.9634 -5.9634 -5.9223 -5.9223 -5.8145 -5.8145 1.9971 1.9971 2.4291 2.4291 5.0624 5.0624 8.4951 8.4951 8.9292 8.9292 11.0946 11.0946 11.1651 11.1651 12.3838 12.3838 k = 0.3061 0.5302-0.0000 ( 2553 PWs) bands (ev): -27.2387 -27.2387 -10.0850 -10.0850 -8.9789 -8.9789 -8.9257 -8.9257 -6.6498 -6.6498 -6.5850 -6.5850 -6.5188 -6.5188 -6.4954 -6.4954 -6.1604 -6.1604 -6.1080 -6.1080 -6.0195 -6.0195 -5.9638 -5.9638 -5.9221 -5.9221 -5.8155 -5.8155 1.9143 1.9143 2.5048 2.5048 5.0968 5.0968 8.4319 8.4319 9.0109 9.0109 11.0707 11.0707 11.1196 11.1196 12.4603 12.4603 k = 0.2993 0.5184-0.0000 ( 2563 PWs) bands (ev): -27.2388 -27.2388 -10.0847 -10.0847 -8.9787 -8.9787 -8.9250 -8.9250 -6.6489 -6.6489 -6.5850 -6.5850 -6.5189 -6.5189 -6.4957 -6.4957 -6.1612 -6.1612 -6.1069 -6.1069 -6.0193 -6.0193 -5.9642 -5.9642 -5.9218 -5.9218 -5.8168 -5.8168 1.8283 1.8283 2.5832 2.5832 5.1394 5.1394 8.3714 8.3714 9.0952 9.0952 11.0408 11.0408 11.0698 11.0698 12.5475 12.5475 k = 0.2925 0.5067-0.0000 ( 2569 PWs) bands (ev): -27.2388 -27.2388 -10.0843 -10.0843 -8.9785 -8.9785 -8.9242 -8.9242 -6.6478 -6.6478 -6.5850 -6.5850 -6.5190 -6.5190 -6.4961 -6.4961 -6.1621 -6.1621 -6.1056 -6.1056 -6.0191 -6.0191 -5.9647 -5.9647 -5.9216 -5.9216 -5.8184 -5.8184 1.7397 1.7397 2.6645 2.6645 5.1895 5.1895 8.3134 8.3134 9.1820 9.1820 10.9819 10.9819 11.0426 11.0426 12.6392 12.6392 k = 0.2857 0.4949-0.0000 ( 2573 PWs) bands (ev): -27.2389 -27.2389 -10.0838 -10.0838 -8.9781 -8.9781 -8.9232 -8.9232 -6.6465 -6.6465 -6.5850 -6.5850 -6.5192 -6.5192 -6.4965 -6.4965 -6.1631 -6.1631 -6.1041 -6.1041 -6.0189 -6.0189 -5.9653 -5.9653 -5.9213 -5.9213 -5.8203 -5.8203 1.6492 1.6492 2.7487 2.7487 5.2464 5.2464 8.2579 8.2579 9.2714 9.2714 10.9085 10.9085 11.0263 11.0263 12.7291 12.7291 k = 0.2789 0.4831-0.0000 ( 2569 PWs) bands (ev): -27.2390 -27.2390 -10.0832 -10.0832 -8.9775 -8.9775 -8.9222 -8.9222 -6.6449 -6.6449 -6.5849 -6.5849 -6.5193 -6.5193 -6.4970 -6.4970 -6.1642 -6.1642 -6.1024 -6.1024 -6.0186 -6.0186 -5.9660 -5.9660 -5.9211 -5.9211 -5.8225 -5.8225 1.5573 1.5573 2.8356 2.8356 5.3094 5.3094 8.2050 8.2050 9.3633 9.3633 10.8299 10.8299 11.0139 11.0139 12.8085 12.8085 k = 0.2721 0.4713-0.0000 ( 2569 PWs) bands (ev): -27.2392 -27.2392 -10.0825 -10.0825 -8.9768 -8.9768 -8.9211 -8.9211 -6.6432 -6.6432 -6.5848 -6.5848 -6.5195 -6.5195 -6.4975 -6.4975 -6.1653 -6.1653 -6.1006 -6.1006 -6.0183 -6.0183 -5.9667 -5.9667 -5.9208 -5.9208 -5.8249 -5.8249 1.4647 1.4647 2.9254 2.9254 5.3781 5.3781 8.1547 8.1547 9.4576 9.4576 10.7483 10.7483 11.0043 11.0043 12.8652 12.8652 k = 0.2653 0.4595-0.0000 ( 2569 PWs) bands (ev): -27.2393 -27.2393 -10.0818 -10.0818 -8.9759 -8.9759 -8.9200 -8.9200 -6.6414 -6.6414 -6.5846 -6.5846 -6.5197 -6.5197 -6.4980 -6.4980 -6.1664 -6.1664 -6.0987 -6.0987 -6.0179 -6.0179 -5.9675 -5.9675 -5.9207 -5.9207 -5.8276 -5.8276 1.3716 1.3716 3.0180 3.0180 5.4519 5.4519 8.1067 8.1067 9.5543 9.5543 10.6651 10.6651 10.9975 10.9975 12.8835 12.8835 k = 0.2585 0.4477-0.0000 ( 2569 PWs) bands (ev): -27.2394 -27.2394 -10.0809 -10.0809 -8.9749 -8.9749 -8.9188 -8.9188 -6.6394 -6.6394 -6.5844 -6.5844 -6.5199 -6.5199 -6.4986 -6.4986 -6.1676 -6.1676 -6.0967 -6.0967 -6.0176 -6.0176 -5.9684 -5.9684 -5.9207 -5.9207 -5.8305 -5.8305 1.2785 1.2785 3.1134 3.1134 5.5303 5.5303 8.0613 8.0613 9.6532 9.6532 10.5811 10.5811 10.9933 10.9933 12.8539 12.8539 k = 0.2517 0.4360-0.0000 ( 2567 PWs) bands (ev): -27.2396 -27.2396 -10.0799 -10.0799 -8.9736 -8.9736 -8.9176 -8.9176 -6.6372 -6.6372 -6.5841 -6.5841 -6.5201 -6.5201 -6.4992 -6.4992 -6.1688 -6.1688 -6.0946 -6.0946 -6.0173 -6.0173 -5.9693 -5.9693 -5.9207 -5.9207 -5.8336 -5.8336 1.1859 1.1859 3.2116 3.2116 5.6129 5.6129 8.0182 8.0182 9.7544 9.7544 10.4969 10.4969 10.9915 10.9915 12.7834 12.7834 k = 0.2449 0.4242-0.0000 ( 2563 PWs) bands (ev): -27.2398 -27.2398 -10.0789 -10.0789 -8.9722 -8.9722 -8.9164 -8.9164 -6.6349 -6.6349 -6.5837 -6.5837 -6.5203 -6.5203 -6.4997 -6.4997 -6.1699 -6.1699 -6.0924 -6.0924 -6.0169 -6.0169 -5.9703 -5.9703 -5.9209 -5.9209 -5.8369 -5.8369 1.0938 1.0938 3.3127 3.3127 5.6994 5.6994 7.9776 7.9776 9.8577 9.8577 10.4130 10.4130 10.9922 10.9922 12.6873 12.6873 k = 0.2381 0.4124-0.0000 ( 2567 PWs) bands (ev): -27.2400 -27.2400 -10.0777 -10.0777 -8.9706 -8.9706 -8.9151 -8.9151 -6.6325 -6.6325 -6.5832 -6.5832 -6.5206 -6.5206 -6.5003 -6.5003 -6.1710 -6.1710 -6.0903 -6.0903 -6.0166 -6.0166 -5.9714 -5.9714 -5.9211 -5.9211 -5.8405 -5.8405 1.0028 1.0028 3.4165 3.4165 5.7894 5.7894 7.9392 7.9392 9.9629 9.9629 10.3298 10.3298 10.9952 10.9952 12.5779 12.5779 k = 0.2313 0.4006-0.0000 ( 2567 PWs) bands (ev): -27.2402 -27.2402 -10.0764 -10.0764 -8.9687 -8.9687 -8.9139 -8.9139 -6.6300 -6.6300 -6.5827 -6.5827 -6.5208 -6.5208 -6.5009 -6.5009 -6.1721 -6.1721 -6.0881 -6.0881 -6.0163 -6.0163 -5.9724 -5.9724 -5.9216 -5.9216 -5.8443 -5.8443 0.9128 0.9128 3.5232 3.5232 5.8825 5.8825 7.9031 7.9031 10.0693 10.0693 10.2482 10.2482 11.0005 11.0005 12.4625 12.4625 k = 0.2245 0.3888-0.0000 ( 2575 PWs) bands (ev): -27.2404 -27.2404 -10.0751 -10.0751 -8.9667 -8.9667 -8.9126 -8.9126 -6.6274 -6.6274 -6.5820 -6.5820 -6.5211 -6.5211 -6.5015 -6.5015 -6.1731 -6.1731 -6.0859 -6.0859 -6.0161 -6.0161 -5.9736 -5.9736 -5.9221 -5.9221 -5.8482 -5.8482 0.8243 0.8243 3.6327 3.6327 5.9784 5.9784 7.8692 7.8692 10.1512 10.1512 10.1940 10.1940 11.0079 11.0079 12.3451 12.3451 k = 0.2177 0.3770-0.0000 ( 2575 PWs) bands (ev): -27.2406 -27.2406 -10.0737 -10.0737 -8.9645 -8.9645 -8.9114 -8.9114 -6.6247 -6.6247 -6.5813 -6.5813 -6.5213 -6.5213 -6.5020 -6.5020 -6.1740 -6.1740 -6.0838 -6.0838 -6.0158 -6.0158 -5.9747 -5.9747 -5.9228 -5.9228 -5.8522 -5.8522 0.7373 0.7373 3.7449 3.7449 6.0767 6.0767 7.8375 7.8375 10.0820 10.0820 10.2939 10.2939 11.0174 11.0174 12.2282 12.2282 k = 0.2109 0.3653-0.0000 ( 2571 PWs) bands (ev): -27.2409 -27.2409 -10.0721 -10.0721 -8.9621 -8.9621 -8.9101 -8.9101 -6.6220 -6.6220 -6.5804 -6.5804 -6.5215 -6.5215 -6.5026 -6.5026 -6.1748 -6.1748 -6.0816 -6.0816 -6.0157 -6.0157 -5.9759 -5.9759 -5.9236 -5.9236 -5.8563 -5.8563 0.6520 0.6520 3.8600 3.8600 6.1773 6.1773 7.8079 7.8079 10.0037 10.0037 10.4058 10.4058 11.0286 11.0286 12.1132 12.1132 k = 0.2041 0.3535-0.0000 ( 2575 PWs) bands (ev): -27.2411 -27.2411 -10.0706 -10.0706 -8.9596 -8.9596 -8.9089 -8.9089 -6.6192 -6.6192 -6.5794 -6.5794 -6.5216 -6.5216 -6.5031 -6.5031 -6.1755 -6.1755 -6.0796 -6.0796 -6.0156 -6.0156 -5.9770 -5.9770 -5.9247 -5.9247 -5.8606 -5.8606 0.5685 0.5685 3.9777 3.9777 6.2797 6.2797 7.7804 7.7804 9.9263 9.9263 10.5196 10.5196 11.0415 11.0415 12.0013 12.0013 k = 0.1973 0.3417-0.0000 ( 2575 PWs) bands (ev): -27.2414 -27.2414 -10.0689 -10.0689 -8.9568 -8.9568 -8.9077 -8.9077 -6.6165 -6.6165 -6.5783 -6.5783 -6.5218 -6.5218 -6.5035 -6.5035 -6.1762 -6.1762 -6.0776 -6.0776 -6.0156 -6.0156 -5.9782 -5.9782 -5.9258 -5.9258 -5.8649 -5.8649 0.4870 0.4870 4.0983 4.0983 6.3836 6.3836 7.7548 7.7548 9.8503 9.8503 10.6348 10.6348 11.0558 11.0558 11.8932 11.8932 k = 0.1905 0.3299-0.0000 ( 2571 PWs) bands (ev): -27.2417 -27.2417 -10.0672 -10.0672 -8.9539 -8.9539 -8.9064 -8.9064 -6.6137 -6.6137 -6.5770 -6.5770 -6.5219 -6.5219 -6.5039 -6.5039 -6.1767 -6.1767 -6.0756 -6.0756 -6.0158 -6.0158 -5.9793 -5.9793 -5.9271 -5.9271 -5.8692 -5.8692 0.4075 0.4075 4.2215 4.2215 6.4888 6.4888 7.7311 7.7311 9.7758 9.7758 10.7510 10.7510 11.0712 11.0712 11.7898 11.7898 k = 0.1837 0.3181-0.0000 ( 2571 PWs) bands (ev): -27.2420 -27.2420 -10.0654 -10.0654 -8.9509 -8.9509 -8.9052 -8.9052 -6.6110 -6.6110 -6.5757 -6.5757 -6.5220 -6.5220 -6.5043 -6.5043 -6.1770 -6.1770 -6.0737 -6.0737 -6.0161 -6.0161 -5.9804 -5.9804 -5.9286 -5.9286 -5.8735 -5.8735 0.3303 0.3303 4.3475 4.3475 6.5947 6.5947 7.7093 7.7093 9.7031 9.7031 10.8676 10.8676 11.0878 11.0878 11.6914 11.6914 k = 0.1769 0.3063-0.0000 ( 2571 PWs) bands (ev): -27.2423 -27.2423 -10.0636 -10.0636 -8.9478 -8.9478 -8.9040 -8.9040 -6.6083 -6.6083 -6.5743 -6.5743 -6.5220 -6.5220 -6.5045 -6.5045 -6.1773 -6.1773 -6.0719 -6.0719 -6.0165 -6.0165 -5.9815 -5.9815 -5.9303 -5.9303 -5.8778 -5.8778 0.2552 0.2552 4.4762 4.4762 6.7012 6.7012 7.6893 7.6893 9.6320 9.6320 10.9832 10.9832 11.1059 11.1059 11.5989 11.5989 k = 0.1701 0.2946-0.0000 ( 2583 PWs) bands (ev): -27.2426 -27.2426 -10.0617 -10.0617 -8.9446 -8.9446 -8.9028 -8.9028 -6.6057 -6.6057 -6.5728 -6.5728 -6.5221 -6.5221 -6.5048 -6.5048 -6.1775 -6.1775 -6.0702 -6.0702 -6.0173 -6.0173 -5.9825 -5.9825 -5.9321 -5.9321 -5.8821 -5.8821 0.1826 0.1826 4.6075 4.6075 6.8077 6.8077 7.6709 7.6709 9.5628 9.5628 11.0861 11.0861 11.1363 11.1363 11.5126 11.5126 k = 0.1633 0.2828-0.0000 ( 2587 PWs) bands (ev): -27.2429 -27.2429 -10.0599 -10.0599 -8.9413 -8.9413 -8.9016 -8.9016 -6.6032 -6.6032 -6.5712 -6.5712 -6.5220 -6.5220 -6.5048 -6.5048 -6.1775 -6.1775 -6.0687 -6.0687 -6.0182 -6.0182 -5.9835 -5.9835 -5.9340 -5.9340 -5.8863 -5.8863 0.1123 0.1123 4.7414 4.7414 6.9138 6.9138 7.6543 7.6543 9.4954 9.4954 11.1238 11.1238 11.2301 11.2301 11.4337 11.4337 k = 0.1565 0.2710-0.0000 ( 2587 PWs) bands (ev): -27.2432 -27.2432 -10.0580 -10.0580 -8.9380 -8.9380 -8.9003 -8.9003 -6.6007 -6.6007 -6.5697 -6.5697 -6.5219 -6.5219 -6.5048 -6.5048 -6.1773 -6.1773 -6.0672 -6.0672 -6.0194 -6.0194 -5.9843 -5.9843 -5.9359 -5.9359 -5.8904 -5.8904 0.0445 0.0445 4.8779 4.8779 7.0190 7.0190 7.6391 7.6391 9.4300 9.4300 11.1384 11.1384 11.3354 11.3354 11.3709 11.3709 k = 0.1497 0.2592-0.0000 ( 2583 PWs) bands (ev): -27.2435 -27.2435 -10.0561 -10.0561 -8.9346 -8.9346 -8.8991 -8.8991 -6.5984 -6.5984 -6.5681 -6.5681 -6.5217 -6.5217 -6.5046 -6.5046 -6.1770 -6.1770 -6.0658 -6.0658 -6.0209 -6.0209 -5.9850 -5.9850 -5.9380 -5.9380 -5.8944 -5.8944 -0.0208 -0.0208 5.0170 5.0170 7.1228 7.1228 7.6256 7.6256 9.3665 9.3665 11.1471 11.1471 11.2949 11.2949 11.4629 11.4629 k = 0.1429 0.2474-0.0000 ( 2583 PWs) bands (ev): -27.2438 -27.2438 -10.0542 -10.0542 -8.9313 -8.9313 -8.8977 -8.8977 -6.5961 -6.5961 -6.5665 -6.5665 -6.5216 -6.5216 -6.5042 -6.5042 -6.1766 -6.1766 -6.0645 -6.0645 -6.0227 -6.0227 -5.9856 -5.9856 -5.9400 -5.9400 -5.8983 -5.8983 -0.0836 -0.0836 5.1586 5.1586 7.2246 7.2246 7.6135 7.6135 9.3051 9.3051 11.1494 11.1494 11.2413 11.2413 11.5763 11.5763 k = 0.1361 0.2357-0.0000 ( 2579 PWs) bands (ev): -27.2441 -27.2441 -10.0523 -10.0523 -8.9281 -8.9281 -8.8964 -8.8964 -6.5939 -6.5939 -6.5650 -6.5650 -6.5214 -6.5214 -6.5036 -6.5036 -6.1760 -6.1760 -6.0634 -6.0634 -6.0248 -6.0248 -5.9860 -5.9860 -5.9421 -5.9421 -5.9020 -5.9020 -0.1436 -0.1436 5.3026 5.3026 7.3236 7.3236 7.6031 7.6031 9.2457 9.2457 11.1424 11.1424 11.1982 11.1982 11.6880 11.6880 k = 0.1293 0.2239-0.0000 ( 2571 PWs) bands (ev): -27.2444 -27.2444 -10.0504 -10.0504 -8.9250 -8.9250 -8.8949 -8.8949 -6.5917 -6.5917 -6.5636 -6.5636 -6.5212 -6.5212 -6.5028 -6.5028 -6.1753 -6.1753 -6.0624 -6.0624 -6.0273 -6.0273 -5.9863 -5.9863 -5.9441 -5.9441 -5.9056 -5.9056 -0.2011 -0.2011 5.4491 5.4491 7.4185 7.4185 7.5949 7.5949 9.1885 9.1885 11.1242 11.1242 11.1665 11.1665 11.7966 11.7966 k = 0.1224 0.2121-0.0000 ( 2571 PWs) bands (ev): -27.2447 -27.2447 -10.0486 -10.0486 -8.9220 -8.9220 -8.8933 -8.8933 -6.5897 -6.5897 -6.5624 -6.5624 -6.5210 -6.5210 -6.5018 -6.5018 -6.1744 -6.1744 -6.0615 -6.0615 -6.0301 -6.0301 -5.9865 -5.9865 -5.9461 -5.9461 -5.9091 -5.9091 -0.2558 -0.2558 5.5979 5.5979 7.5057 7.5057 7.5919 7.5919 9.1335 9.1335 11.0991 11.0991 11.1400 11.1400 11.9013 11.9013 k = 0.1156 0.2003-0.0000 ( 2563 PWs) bands (ev): -27.2450 -27.2450 -10.0468 -10.0468 -8.9192 -8.9192 -8.8916 -8.8916 -6.5877 -6.5877 -6.5612 -6.5612 -6.5208 -6.5208 -6.5006 -6.5006 -6.1733 -6.1733 -6.0607 -6.0607 -6.0332 -6.0332 -5.9865 -5.9865 -5.9479 -5.9479 -5.9125 -5.9125 -0.3077 -0.3077 5.7491 5.7491 7.5568 7.5568 7.6218 7.6218 9.0808 9.0808 11.0675 11.0675 11.1169 11.1169 12.0008 12.0008 k = 0.1088 0.1885-0.0000 ( 2563 PWs) bands (ev): -27.2453 -27.2453 -10.0450 -10.0450 -8.9166 -8.9166 -8.8898 -8.8898 -6.5858 -6.5858 -6.5602 -6.5602 -6.5207 -6.5207 -6.4992 -6.4992 -6.1722 -6.1722 -6.0601 -6.0601 -6.0366 -6.0366 -5.9864 -5.9864 -5.9497 -5.9497 -5.9158 -5.9158 -0.3569 -0.3569 5.9024 5.9024 7.5602 7.5602 7.6954 7.6954 9.0304 9.0304 11.0193 11.0193 11.1059 11.1059 12.0929 12.0929 k = 0.1020 0.1767-0.0000 ( 2569 PWs) bands (ev): -27.2456 -27.2456 -10.0433 -10.0433 -8.9143 -8.9143 -8.8879 -8.8879 -6.5841 -6.5841 -6.5594 -6.5594 -6.5206 -6.5206 -6.4976 -6.4976 -6.1709 -6.1709 -6.0596 -6.0596 -6.0402 -6.0402 -5.9862 -5.9862 -5.9514 -5.9514 -5.9190 -5.9190 -0.4033 -0.4033 6.0578 6.0578 7.5566 7.5566 7.7716 7.7716 8.9824 8.9824 10.9516 10.9516 11.1096 11.1096 12.1089 12.1089 k = 0.0952 0.1650-0.0000 ( 2577 PWs) bands (ev): -27.2458 -27.2458 -10.0417 -10.0417 -8.9123 -8.9123 -8.8858 -8.8858 -6.5824 -6.5824 -6.5587 -6.5587 -6.5206 -6.5206 -6.4958 -6.4958 -6.1694 -6.1694 -6.0594 -6.0594 -6.0440 -6.0440 -5.9859 -5.9859 -5.9529 -5.9529 -5.9220 -5.9220 -0.4468 -0.4468 6.2153 6.2153 7.5524 7.5524 7.8433 7.8433 8.9370 8.9370 10.8666 10.8666 11.1264 11.1264 12.0986 12.0986 k = 0.0884 0.1532-0.0000 ( 2575 PWs) bands (ev): -27.2461 -27.2461 -10.0402 -10.0402 -8.9105 -8.9105 -8.8836 -8.8836 -6.5807 -6.5807 -6.5581 -6.5581 -6.5206 -6.5206 -6.4940 -6.4940 -6.1678 -6.1678 -6.0593 -6.0593 -6.0478 -6.0478 -5.9855 -5.9855 -5.9542 -5.9542 -5.9250 -5.9250 -0.4874 -0.4874 6.3746 6.3746 7.5484 7.5484 7.9093 7.9093 8.8942 8.8942 10.7663 10.7663 11.1560 11.1560 12.0968 12.0968 k = 0.0816 0.1414-0.0000 ( 2575 PWs) bands (ev): -27.2463 -27.2463 -10.0387 -10.0387 -8.9090 -8.9090 -8.8814 -8.8814 -6.5792 -6.5792 -6.5576 -6.5576 -6.5206 -6.5206 -6.4920 -6.4920 -6.1661 -6.1661 -6.0598 -6.0598 -6.0513 -6.0513 -5.9850 -5.9850 -5.9554 -5.9554 -5.9278 -5.9278 -0.5251 -0.5251 6.5356 6.5356 7.5449 7.5449 7.9691 7.9691 8.8541 8.8541 10.6525 10.6525 11.1978 11.1978 12.1024 12.1024 k = 0.0748 0.1296-0.0000 ( 2573 PWs) bands (ev): -27.2466 -27.2466 -10.0373 -10.0373 -8.9077 -8.9077 -8.8791 -8.8791 -6.5777 -6.5777 -6.5572 -6.5572 -6.5206 -6.5206 -6.4901 -6.4901 -6.1642 -6.1642 -6.0613 -6.0613 -6.0539 -6.0539 -5.9845 -5.9845 -5.9565 -5.9565 -5.9305 -5.9305 -0.5599 -0.5599 6.6982 6.6982 7.5419 7.5419 8.0226 8.0226 8.8168 8.8168 10.5272 10.5272 11.2518 11.2518 12.1135 12.1135 k = 0.0680 0.1178-0.0000 ( 2581 PWs) bands (ev): -27.2468 -27.2468 -10.0360 -10.0360 -8.9066 -8.9066 -8.8769 -8.8769 -6.5764 -6.5764 -6.5569 -6.5569 -6.5206 -6.5206 -6.4882 -6.4882 -6.1623 -6.1623 -6.0642 -6.0642 -6.0553 -6.0553 -5.9839 -5.9839 -5.9574 -5.9574 -5.9331 -5.9331 -0.5917 -0.5917 6.8621 6.8621 7.5393 7.5393 8.0697 8.0697 8.7824 8.7824 10.3923 10.3923 11.3174 11.3174 12.1287 12.1287 k = 0.0612 0.1060-0.0000 ( 2581 PWs) bands (ev): -27.2470 -27.2470 -10.0349 -10.0349 -8.9056 -8.9056 -8.8747 -8.8747 -6.5751 -6.5751 -6.5566 -6.5566 -6.5207 -6.5207 -6.4863 -6.4863 -6.1602 -6.1602 -6.0679 -6.0679 -6.0559 -6.0559 -5.9832 -5.9832 -5.9582 -5.9582 -5.9356 -5.9356 -0.6206 -0.6206 7.0269 7.0269 7.5371 7.5371 8.1107 8.1107 8.7510 8.7510 10.2496 10.2496 11.3941 11.3941 12.1466 12.1466 k = 0.0544 0.0943-0.0000 ( 2573 PWs) bands (ev): -27.2471 -27.2471 -10.0338 -10.0338 -8.9049 -8.9049 -8.8727 -8.8727 -6.5739 -6.5739 -6.5564 -6.5564 -6.5208 -6.5208 -6.4845 -6.4845 -6.1581 -6.1581 -6.0718 -6.0718 -6.0561 -6.0561 -5.9826 -5.9826 -5.9588 -5.9588 -5.9379 -5.9379 -0.6465 -0.6465 7.1921 7.1921 7.5354 7.5354 8.1458 8.1458 8.7226 8.7226 10.1008 10.1008 11.4811 11.4811 12.1659 12.1659 k = 0.0476 0.0825-0.0000 ( 2573 PWs) bands (ev): -27.2473 -27.2473 -10.0329 -10.0329 -8.9042 -8.9042 -8.8708 -8.8708 -6.5728 -6.5728 -6.5563 -6.5563 -6.5208 -6.5208 -6.4828 -6.4828 -6.1559 -6.1559 -6.0758 -6.0758 -6.0562 -6.0562 -5.9819 -5.9819 -5.9594 -5.9594 -5.9400 -5.9400 -0.6694 -0.6694 7.3572 7.3572 7.5341 7.5341 8.1756 8.1756 8.6974 8.6974 9.9477 9.9477 11.5775 11.5775 12.1856 12.1856 k = 0.0408 0.0707-0.0000 ( 2573 PWs) bands (ev): -27.2474 -27.2474 -10.0320 -10.0320 -8.9037 -8.9037 -8.8691 -8.8691 -6.5719 -6.5719 -6.5562 -6.5562 -6.5209 -6.5209 -6.4814 -6.4814 -6.1538 -6.1538 -6.0796 -6.0796 -6.0563 -6.0563 -5.9812 -5.9812 -5.9597 -5.9597 -5.9420 -5.9420 -0.6892 -0.6892 7.5174 7.5174 7.5370 7.5370 8.2004 8.2004 8.6754 8.6754 9.7920 9.7920 11.6819 11.6819 12.2049 12.2049 k = 0.0340 0.0589-0.0000 ( 2573 PWs) bands (ev): -27.2476 -27.2476 -10.0313 -10.0313 -8.9033 -8.9033 -8.8676 -8.8676 -6.5711 -6.5711 -6.5561 -6.5561 -6.5209 -6.5209 -6.4800 -6.4800 -6.1517 -6.1517 -6.0832 -6.0832 -6.0564 -6.0564 -5.9806 -5.9806 -5.9600 -5.9600 -5.9438 -5.9438 -0.7060 -0.7060 7.5311 7.5311 7.6840 7.6840 8.2209 8.2209 8.6566 8.6566 9.6359 9.6359 11.7928 11.7928 12.2230 12.2230 k = 0.0272 0.0471-0.0000 ( 2569 PWs) bands (ev): -27.2477 -27.2477 -10.0307 -10.0307 -8.9029 -8.9029 -8.8664 -8.8664 -6.5704 -6.5704 -6.5561 -6.5561 -6.5210 -6.5210 -6.4789 -6.4789 -6.1498 -6.1498 -6.0863 -6.0863 -6.0565 -6.0565 -5.9801 -5.9801 -5.9601 -5.9601 -5.9454 -5.9454 -0.7198 -0.7198 7.5306 7.5306 7.8403 7.8403 8.2378 8.2378 8.6412 8.6412 9.4824 9.4824 11.9076 11.9076 12.2396 12.2396 k = 0.0204 0.0353-0.0000 ( 2573 PWs) bands (ev): -27.2477 -27.2477 -10.0303 -10.0303 -8.9027 -8.9027 -8.8654 -8.8654 -6.5699 -6.5699 -6.5560 -6.5560 -6.5210 -6.5210 -6.4781 -6.4781 -6.1481 -6.1481 -6.0890 -6.0890 -6.0565 -6.0565 -5.9796 -5.9796 -5.9602 -5.9602 -5.9467 -5.9467 -0.7305 -0.7305 7.5301 7.5301 7.9864 7.9864 8.2522 8.2522 8.6292 8.6292 9.3362 9.3362 12.0220 12.0220 12.2548 12.2548 k = 0.0136 0.0236-0.0000 ( 2573 PWs) bands (ev): -27.2478 -27.2478 -10.0299 -10.0299 -8.9025 -8.9025 -8.8647 -8.8647 -6.5695 -6.5695 -6.5560 -6.5560 -6.5211 -6.5211 -6.4775 -6.4775 -6.1468 -6.1468 -6.0911 -6.0911 -6.0565 -6.0565 -5.9793 -5.9793 -5.9602 -5.9602 -5.9477 -5.9477 -0.7382 -0.7382 7.5298 7.5298 8.1111 8.1111 8.2674 8.2674 8.6206 8.6206 9.2062 9.2062 12.1266 12.1266 12.2708 12.2708 k = 0.0068 0.0118-0.0000 ( 2569 PWs) bands (ev): -27.2478 -27.2478 -10.0297 -10.0297 -8.9024 -8.9024 -8.8642 -8.8642 -6.5693 -6.5693 -6.5560 -6.5560 -6.5211 -6.5211 -6.4771 -6.4771 -6.1460 -6.1460 -6.0923 -6.0923 -6.0566 -6.0566 -5.9791 -5.9791 -5.9602 -5.9602 -5.9483 -5.9483 -0.7428 -0.7428 7.5296 7.5296 8.1905 8.1905 8.2906 8.2906 8.6155 8.6155 9.1093 9.1093 12.1989 12.1989 12.2943 12.2943 k = 0.0000 0.0000 0.0000 ( 2569 PWs) bands (ev): -27.2478 -27.2478 -10.0297 -10.0297 -8.9023 -8.9023 -8.8641 -8.8641 -6.5692 -6.5692 -6.5560 -6.5560 -6.5211 -6.5211 -6.4769 -6.4769 -6.1457 -6.1457 -6.0928 -6.0928 -6.0566 -6.0566 -5.9790 -5.9790 -5.9602 -5.9602 -5.9485 -5.9485 -0.7443 -0.7443 7.5295 7.5295 8.2124 8.2124 8.3082 8.3082 8.6138 8.6138 9.0717 9.0717 12.2203 12.2203 12.3127 12.3127 k = 0.0000 0.0000 0.0000 ( 2569 PWs) bands (ev): -27.2478 -27.2478 -10.0297 -10.0297 -8.9023 -8.9023 -8.8641 -8.8641 -6.5692 -6.5692 -6.5560 -6.5560 -6.5211 -6.5211 -6.4769 -6.4769 -6.1457 -6.1457 -6.0928 -6.0928 -6.0566 -6.0566 -5.9790 -5.9790 -5.9602 -5.9602 -5.9485 -5.9485 -0.7443 -0.7443 7.5295 7.5295 8.2124 8.2124 8.3082 8.3082 8.6138 8.6138 9.0717 9.0717 12.2203 12.2203 12.3127 12.3127 k = 0.0000 0.0000 0.0135 ( 2575 PWs) bands (ev): -27.2478 -27.2478 -10.0297 -10.0297 -8.9025 -8.9025 -8.8641 -8.8641 -6.5692 -6.5692 -6.5560 -6.5560 -6.5211 -6.5211 -6.4770 -6.4770 -6.1457 -6.1457 -6.0928 -6.0928 -6.0566 -6.0566 -5.9790 -5.9790 -5.9602 -5.9602 -5.9485 -5.9485 -0.7432 -0.7432 7.5090 7.5090 8.2135 8.2135 8.3093 8.3093 8.6344 8.6344 9.0725 9.0725 12.1924 12.1924 12.2796 12.2796 k = 0.0000 0.0000 0.0270 ( 2575 PWs) bands (ev): -27.2478 -27.2478 -10.0298 -10.0298 -8.9028 -8.9028 -8.8640 -8.8640 -6.5692 -6.5692 -6.5560 -6.5560 -6.5211 -6.5211 -6.4770 -6.4770 -6.1457 -6.1457 -6.0928 -6.0928 -6.0565 -6.0565 -5.9791 -5.9791 -5.9602 -5.9602 -5.9485 -5.9485 -0.7398 -0.7398 7.4518 7.4518 8.2168 8.2168 8.3127 8.3127 8.6922 8.6922 9.0750 9.0750 12.1248 12.1248 12.2037 12.2037 k = 0.0000 0.0000 0.0405 ( 2569 PWs) bands (ev): -27.2478 -27.2478 -10.0301 -10.0301 -8.9034 -8.9034 -8.8640 -8.8640 -6.5692 -6.5692 -6.5559 -6.5559 -6.5211 -6.5211 -6.4770 -6.4770 -6.1457 -6.1457 -6.0928 -6.0928 -6.0565 -6.0565 -5.9791 -5.9791 -5.9602 -5.9602 -5.9484 -5.9484 -0.7342 -0.7342 7.3672 7.3672 8.2222 8.2222 8.3183 8.3183 8.7778 8.7778 9.0792 9.0792 12.0396 12.0396 12.1120 12.1120 k = 0.0000 0.0000 0.0540 ( 2569 PWs) bands (ev): -27.2478 -27.2478 -10.0303 -10.0303 -8.9042 -8.9042 -8.8639 -8.8639 -6.5692 -6.5692 -6.5558 -6.5558 -6.5211 -6.5211 -6.4771 -6.4771 -6.1457 -6.1457 -6.0929 -6.0929 -6.0564 -6.0564 -5.9792 -5.9792 -5.9601 -5.9601 -5.9483 -5.9483 -0.7263 -0.7263 7.2642 7.2642 8.2298 8.2298 8.3262 8.3262 8.8821 8.8821 9.0850 9.0850 11.9479 11.9479 12.0156 12.0156 k = 0.0000 0.0000 0.0675 ( 2569 PWs) bands (ev): -27.2478 -27.2478 -10.0307 -10.0307 -8.9052 -8.9052 -8.8638 -8.8638 -6.5692 -6.5692 -6.5557 -6.5557 -6.5211 -6.5211 -6.4772 -6.4772 -6.1457 -6.1457 -6.0930 -6.0930 -6.0563 -6.0563 -5.9793 -5.9793 -5.9601 -5.9601 -5.9482 -5.9482 -0.7163 -0.7163 7.1497 7.1497 8.2395 8.2395 8.3363 8.3363 8.9983 8.9983 9.0924 9.0924 11.8545 11.8545 11.9186 11.9186 k = 0.0000 0.0000 0.0810 ( 2569 PWs) bands (ev): -27.2477 -27.2477 -10.0312 -10.0312 -8.9064 -8.9064 -8.8637 -8.8637 -6.5692 -6.5692 -6.5556 -6.5556 -6.5212 -6.5212 -6.4773 -6.4773 -6.1457 -6.1457 -6.0931 -6.0931 -6.0562 -6.0562 -5.9794 -5.9794 -5.9600 -5.9600 -5.9481 -5.9481 -0.7042 -0.7042 7.0282 7.0282 8.2514 8.2514 8.3485 8.3485 9.1014 9.1014 9.1220 9.1220 11.7615 11.7615 11.8227 11.8227 k = 0.0000 0.0000 0.0945 ( 2563 PWs) bands (ev): -27.2477 -27.2477 -10.0317 -10.0317 -8.9078 -8.9078 -8.8636 -8.8636 -6.5691 -6.5691 -6.5554 -6.5554 -6.5212 -6.5212 -6.4775 -6.4775 -6.1457 -6.1457 -6.0932 -6.0932 -6.0561 -6.0561 -5.9795 -5.9795 -5.9599 -5.9599 -5.9479 -5.9479 -0.6900 -0.6900 6.9026 6.9026 8.2653 8.2653 8.3630 8.3630 9.1120 9.1120 9.2501 9.2501 11.6702 11.6702 11.7288 11.7288 k = 0.0000 0.0000 0.1080 ( 2563 PWs) bands (ev): -27.2476 -27.2476 -10.0323 -10.0323 -8.9094 -8.9094 -8.8635 -8.8635 -6.5691 -6.5691 -6.5552 -6.5552 -6.5212 -6.5212 -6.4776 -6.4776 -6.1457 -6.1457 -6.0933 -6.0933 -6.0559 -6.0559 -5.9797 -5.9797 -5.9598 -5.9598 -5.9477 -5.9477 -0.6738 -0.6738 6.7749 6.7749 8.2812 8.2812 8.3795 8.3795 9.1241 9.1241 9.3809 9.3809 11.5810 11.5810 11.6374 11.6374 k = 0.0000 0.0000 0.1215 ( 2563 PWs) bands (ev): -27.2476 -27.2476 -10.0329 -10.0329 -8.9112 -8.9112 -8.8633 -8.8633 -6.5691 -6.5691 -6.5550 -6.5550 -6.5212 -6.5212 -6.4778 -6.4778 -6.1457 -6.1457 -6.0934 -6.0934 -6.0558 -6.0558 -5.9798 -5.9798 -5.9597 -5.9597 -5.9475 -5.9475 -0.6557 -0.6557 6.6465 6.6465 8.2992 8.2992 8.3981 8.3981 9.1377 9.1377 9.5129 9.5129 11.4943 11.4943 11.5487 11.5487 k = 0.0000 0.0000 0.1350 ( 2563 PWs) bands (ev): -27.2475 -27.2475 -10.0337 -10.0337 -8.9131 -8.9131 -8.8631 -8.8631 -6.5691 -6.5691 -6.5548 -6.5548 -6.5213 -6.5213 -6.4780 -6.4780 -6.1456 -6.1456 -6.0936 -6.0936 -6.0556 -6.0556 -5.9800 -5.9800 -5.9596 -5.9596 -5.9473 -5.9473 -0.6359 -0.6359 6.5182 6.5182 8.3191 8.3191 8.4188 8.4188 9.1527 9.1527 9.6454 9.6454 11.4104 11.4104 11.4630 11.4630 k = 0.0000 0.0000 0.1485 ( 2563 PWs) bands (ev): -27.2475 -27.2475 -10.0344 -10.0344 -8.9151 -8.9151 -8.8630 -8.8630 -6.5690 -6.5690 -6.5546 -6.5546 -6.5213 -6.5213 -6.4782 -6.4782 -6.1456 -6.1456 -6.0937 -6.0937 -6.0554 -6.0554 -5.9802 -5.9802 -5.9595 -5.9595 -5.9471 -5.9471 -0.6144 -0.6144 6.3910 6.3910 8.3408 8.3408 8.4414 8.4414 9.1690 9.1690 9.7777 9.7777 11.3295 11.3295 11.3804 11.3804 k = 0.0000 0.0000 0.1620 ( 2575 PWs) bands (ev): -27.2474 -27.2474 -10.0353 -10.0353 -8.9173 -8.9173 -8.8628 -8.8628 -6.5690 -6.5690 -6.5544 -6.5544 -6.5214 -6.5214 -6.4784 -6.4784 -6.1456 -6.1456 -6.0939 -6.0939 -6.0553 -6.0553 -5.9804 -5.9804 -5.9595 -5.9595 -5.9469 -5.9469 -0.5914 -0.5914 6.2653 6.2653 8.3644 8.3644 8.4659 8.4659 9.1865 9.1865 9.9093 9.9093 11.2516 11.2516 11.3009 11.3009 k = 0.0000 0.0000 0.1755 ( 2575 PWs) bands (ev): -27.2474 -27.2474 -10.0361 -10.0361 -8.9195 -8.9195 -8.8626 -8.8626 -6.5690 -6.5690 -6.5540 -6.5540 -6.5215 -6.5215 -6.4786 -6.4786 -6.1456 -6.1456 -6.0941 -6.0941 -6.0551 -6.0551 -5.9807 -5.9807 -5.9594 -5.9594 -5.9467 -5.9467 -0.5670 -0.5670 6.1418 6.1418 8.3896 8.3896 8.4922 8.4922 9.2053 9.2053 10.0399 10.0399 11.1769 11.1769 11.2246 11.2246 k = 0.0000 0.0000 0.1890 ( 2575 PWs) bands (ev): -27.2473 -27.2473 -10.0370 -10.0370 -8.9218 -8.9218 -8.8624 -8.8624 -6.5690 -6.5690 -6.5538 -6.5538 -6.5216 -6.5216 -6.4789 -6.4789 -6.1456 -6.1456 -6.0943 -6.0943 -6.0548 -6.0548 -5.9809 -5.9809 -5.9593 -5.9593 -5.9464 -5.9464 -0.5413 -0.5413 6.0207 6.0207 8.4165 8.4165 8.5203 8.5203 9.2251 9.2251 10.1692 10.1692 11.1055 11.1055 11.1516 11.1516 k = 0.0000 0.0000 0.2025 ( 2575 PWs) bands (ev): -27.2472 -27.2472 -10.0380 -10.0380 -8.9242 -8.9242 -8.8621 -8.8621 -6.5689 -6.5689 -6.5535 -6.5535 -6.5216 -6.5216 -6.4791 -6.4791 -6.1456 -6.1456 -6.0945 -6.0945 -6.0546 -6.0546 -5.9811 -5.9811 -5.9592 -5.9592 -5.9462 -5.9462 -0.5146 -0.5146 5.9026 5.9026 8.4449 8.4449 8.5500 8.5500 9.2459 9.2459 10.2970 10.2970 11.0374 11.0374 11.0820 11.0820 k = 0.0000 0.0000 0.2160 ( 2575 PWs) bands (ev): -27.2472 -27.2472 -10.0389 -10.0389 -8.9266 -8.9266 -8.8619 -8.8619 -6.5689 -6.5689 -6.5532 -6.5532 -6.5217 -6.5217 -6.4793 -6.4793 -6.1456 -6.1456 -6.0947 -6.0947 -6.0544 -6.0544 -5.9814 -5.9814 -5.9591 -5.9591 -5.9459 -5.9459 -0.4871 -0.4871 5.7877 5.7877 8.4746 8.4746 8.5811 8.5811 9.2675 9.2675 10.4232 10.4232 10.9730 10.9730 11.0157 11.0157 k = 0.0000 0.0000 0.2295 ( 2563 PWs) bands (ev): -27.2471 -27.2471 -10.0399 -10.0399 -8.9290 -8.9290 -8.8617 -8.8617 -6.5688 -6.5688 -6.5529 -6.5529 -6.5217 -6.5217 -6.4796 -6.4796 -6.1456 -6.1456 -6.0948 -6.0948 -6.0541 -6.0541 -5.9816 -5.9816 -5.9589 -5.9589 -5.9455 -5.9455 -0.4588 -0.4588 5.6765 5.6765 8.5056 8.5056 8.6136 8.6136 9.2898 9.2898 10.5471 10.5471 10.9126 10.9126 10.9529 10.9529 k = 0.0000 0.0000 0.2430 ( 2563 PWs) bands (ev): -27.2470 -27.2470 -10.0408 -10.0408 -8.9314 -8.9314 -8.8615 -8.8615 -6.5688 -6.5688 -6.5527 -6.5527 -6.5218 -6.5218 -6.4798 -6.4798 -6.1456 -6.1456 -6.0950 -6.0950 -6.0539 -6.0539 -5.9819 -5.9819 -5.9588 -5.9588 -5.9452 -5.9452 -0.4301 -0.4301 5.5692 5.5692 8.5376 8.5376 8.6473 8.6473 9.3126 9.3126 10.6668 10.6668 10.8581 10.8581 10.8935 10.8935 k = 0.0000 0.0000 0.2565 ( 2563 PWs) bands (ev): -27.2470 -27.2470 -10.0418 -10.0418 -8.9338 -8.9338 -8.8613 -8.8613 -6.5687 -6.5687 -6.5524 -6.5524 -6.5219 -6.5219 -6.4801 -6.4801 -6.1455 -6.1455 -6.0952 -6.0952 -6.0536 -6.0536 -5.9821 -5.9821 -5.9587 -5.9587 -5.9450 -5.9450 -0.4012 -0.4012 5.4661 5.4661 8.5705 8.5705 8.6819 8.6819 9.3358 9.3358 10.7577 10.7577 10.8340 10.8340 10.8376 10.8376 k = 0.0000 0.0000 0.2700 ( 2551 PWs) bands (ev): -27.2469 -27.2469 -10.0427 -10.0427 -8.9361 -8.9361 -8.8610 -8.8610 -6.5687 -6.5687 -6.5521 -6.5521 -6.5218 -6.5218 -6.4803 -6.4803 -6.1455 -6.1455 -6.0954 -6.0954 -6.0534 -6.0534 -5.9824 -5.9824 -5.9585 -5.9585 -5.9447 -5.9447 -0.3723 -0.3723 5.3677 5.3677 8.6040 8.6040 8.7174 8.7174 9.3592 9.3592 10.7356 10.7356 10.7852 10.7852 10.9245 10.9245 k = 0.0000 0.0000 0.2835 ( 2563 PWs) bands (ev): -27.2468 -27.2468 -10.0436 -10.0436 -8.9383 -8.9383 -8.8608 -8.8608 -6.5687 -6.5687 -6.5518 -6.5518 -6.5220 -6.5220 -6.4806 -6.4806 -6.1455 -6.1455 -6.0956 -6.0956 -6.0532 -6.0532 -5.9826 -5.9826 -5.9584 -5.9584 -5.9445 -5.9445 -0.3437 -0.3437 5.2741 5.2741 8.6378 8.6378 8.7533 8.7533 9.3826 9.3826 10.6913 10.6913 10.7363 10.7363 11.0384 11.0384 k = 0.0000 0.0000 0.2970 ( 2575 PWs) bands (ev): -27.2468 -27.2468 -10.0445 -10.0445 -8.9405 -8.9405 -8.8606 -8.8606 -6.5686 -6.5686 -6.5516 -6.5516 -6.5221 -6.5221 -6.4808 -6.4808 -6.1455 -6.1455 -6.0958 -6.0958 -6.0530 -6.0530 -5.9829 -5.9829 -5.9583 -5.9583 -5.9442 -5.9442 -0.3156 -0.3156 5.1857 5.1857 8.6718 8.6718 8.7894 8.7894 9.4057 9.4057 10.6480 10.6480 10.6910 10.6910 11.1523 11.1523 k = 0.0000 0.0000 0.3105 ( 2569 PWs) bands (ev): -27.2467 -27.2467 -10.0454 -10.0454 -8.9425 -8.9425 -8.8604 -8.8604 -6.5686 -6.5686 -6.5514 -6.5514 -6.5221 -6.5221 -6.4810 -6.4810 -6.1455 -6.1455 -6.0959 -6.0959 -6.0528 -6.0528 -5.9831 -5.9831 -5.9582 -5.9582 -5.9440 -5.9440 -0.2884 -0.2884 5.1029 5.1029 8.7055 8.7055 8.8255 8.8255 9.4284 9.4284 10.6076 10.6076 10.6492 10.6492 11.2640 11.2640 k = 0.0000 0.0000 0.3240 ( 2575 PWs) bands (ev): -27.2466 -27.2466 -10.0462 -10.0462 -8.9445 -8.9445 -8.8603 -8.8603 -6.5686 -6.5686 -6.5512 -6.5512 -6.5221 -6.5221 -6.4812 -6.4812 -6.1455 -6.1455 -6.0961 -6.0961 -6.0527 -6.0527 -5.9833 -5.9833 -5.9581 -5.9581 -5.9438 -5.9438 -0.2622 -0.2622 5.0259 5.0259 8.7387 8.7387 8.8610 8.8610 9.4503 9.4503 10.5704 10.5704 10.6110 10.6110 11.3724 11.3724 k = 0.0000 0.0000 0.3375 ( 2569 PWs) bands (ev): -27.2466 -27.2466 -10.0470 -10.0470 -8.9463 -8.9463 -8.8601 -8.8601 -6.5686 -6.5686 -6.5510 -6.5510 -6.5221 -6.5221 -6.4814 -6.4814 -6.1455 -6.1455 -6.0962 -6.0962 -6.0525 -6.0525 -5.9835 -5.9835 -5.9579 -5.9579 -5.9436 -5.9436 -0.2374 -0.2374 4.9551 4.9551 8.7708 8.7708 8.8957 8.8957 9.4713 9.4713 10.5366 10.5366 10.5764 10.5764 11.4777 11.4778 k = 0.0000 0.0000 0.3510 ( 2569 PWs) bands (ev): -27.2465 -27.2465 -10.0477 -10.0477 -8.9479 -8.9479 -8.8599 -8.8599 -6.5686 -6.5686 -6.5507 -6.5507 -6.5222 -6.5222 -6.4816 -6.4816 -6.1456 -6.1456 -6.0964 -6.0964 -6.0523 -6.0523 -5.9837 -5.9837 -5.9578 -5.9578 -5.9434 -5.9434 -0.2143 -0.2143 4.8907 4.8907 8.8015 8.8015 8.9289 8.9289 9.4910 9.4910 10.5063 10.5063 10.5454 10.5454 11.4116 11.4116 k = 0.0000 0.0000 0.3645 ( 2581 PWs) bands (ev): -27.2465 -27.2465 -10.0483 -10.0483 -8.9494 -8.9494 -8.8598 -8.8598 -6.5686 -6.5686 -6.5506 -6.5506 -6.5222 -6.5222 -6.4818 -6.4818 -6.1456 -6.1456 -6.0965 -6.0965 -6.0521 -6.0521 -5.9839 -5.9839 -5.9578 -5.9578 -5.9433 -5.9433 -0.1931 -0.1931 4.8331 4.8331 8.8304 8.8304 8.9602 8.9602 9.5093 9.5093 10.4795 10.4795 10.5179 10.5179 11.3509 11.3509 k = 0.0000 0.0000 0.3780 ( 2575 PWs) bands (ev): -27.2465 -27.2465 -10.0488 -10.0488 -8.9507 -8.9507 -8.8597 -8.8597 -6.5685 -6.5685 -6.5504 -6.5504 -6.5223 -6.5223 -6.4819 -6.4819 -6.1456 -6.1456 -6.0966 -6.0966 -6.0520 -6.0520 -5.9840 -5.9840 -5.9577 -5.9577 -5.9431 -5.9431 -0.1741 -0.1741 4.7825 4.7825 8.8568 8.8568 8.9891 8.9891 9.5257 9.5257 10.4562 10.4562 10.4942 10.4942 11.2965 11.2965 k = 0.0000 0.0000 0.3915 ( 2575 PWs) bands (ev): -27.2464 -27.2464 -10.0493 -10.0493 -8.9518 -8.9518 -8.8596 -8.8596 -6.5685 -6.5685 -6.5503 -6.5503 -6.5223 -6.5223 -6.4820 -6.4820 -6.1456 -6.1456 -6.0967 -6.0967 -6.0519 -6.0519 -5.9841 -5.9841 -5.9576 -5.9576 -5.9430 -5.9430 -0.1575 -0.1575 4.7392 4.7392 8.8803 8.8803 9.0149 9.0149 9.5401 9.5401 10.4365 10.4365 10.4741 10.4741 11.2490 11.2490 k = 0.0000 0.0000 0.4050 ( 2574 PWs) bands (ev): -27.2464 -27.2464 -10.0497 -10.0497 -8.9528 -8.9528 -8.8595 -8.8595 -6.5685 -6.5685 -6.5501 -6.5501 -6.5223 -6.5223 -6.4821 -6.4821 -6.1456 -6.1456 -6.0968 -6.0968 -6.0518 -6.0518 -5.9842 -5.9842 -5.9576 -5.9576 -5.9429 -5.9429 -0.1437 -0.1437 4.7035 4.7035 8.9004 8.9004 9.0370 9.0370 9.5523 9.5523 10.4203 10.4203 10.4576 10.4576 11.2089 11.2089 k = 0.0000 0.0000 0.4185 ( 2574 PWs) bands (ev): -27.2464 -27.2464 -10.0500 -10.0500 -8.9535 -8.9535 -8.8594 -8.8594 -6.5685 -6.5685 -6.5500 -6.5500 -6.5223 -6.5223 -6.4822 -6.4822 -6.1456 -6.1456 -6.0968 -6.0968 -6.0517 -6.0517 -5.9843 -5.9843 -5.9575 -5.9575 -5.9428 -5.9428 -0.1327 -0.1327 4.6755 4.6755 8.9166 8.9166 9.0549 9.0549 9.5620 9.5620 10.4078 10.4078 10.4448 10.4448 11.1770 11.1770 k = 0.0000 0.0000 0.4320 ( 2586 PWs) bands (ev): -27.2464 -27.2464 -10.0503 -10.0503 -8.9540 -8.9540 -8.8594 -8.8594 -6.5685 -6.5685 -6.5500 -6.5500 -6.5224 -6.5224 -6.4823 -6.4823 -6.1456 -6.1456 -6.0969 -6.0969 -6.0517 -6.0517 -5.9844 -5.9844 -5.9575 -5.9575 -5.9427 -5.9427 -0.1247 -0.1247 4.6553 4.6553 8.9285 8.9285 9.0681 9.0681 9.5690 9.5690 10.3988 10.3988 10.4356 10.4356 11.1538 11.1538 k = 0.0000 0.0000 0.4455 ( 2574 PWs) bands (ev): -27.2463 -27.2463 -10.0504 -10.0504 -8.9543 -8.9543 -8.8593 -8.8593 -6.5685 -6.5685 -6.5499 -6.5499 -6.5224 -6.5224 -6.4823 -6.4823 -6.1456 -6.1456 -6.0970 -6.0970 -6.0515 -6.0515 -5.9844 -5.9844 -5.9575 -5.9575 -5.9426 -5.9426 -0.1199 -0.1199 4.6432 4.6432 8.9358 8.9358 9.0762 9.0762 9.5733 9.5733 10.3934 10.3934 10.4301 10.4301 11.1397 11.1397 k = 0.0000 0.0000 0.4590 ( 2574 PWs) bands (ev): -27.2463 -27.2463 -10.0505 -10.0505 -8.9545 -8.9545 -8.8593 -8.8593 -6.5684 -6.5684 -6.5499 -6.5499 -6.5224 -6.5224 -6.4823 -6.4823 -6.1456 -6.1456 -6.0970 -6.0970 -6.0515 -6.0515 -5.9845 -5.9845 -5.9575 -5.9575 -5.9426 -5.9426 -0.1183 -0.1183 4.6391 4.6391 8.9382 8.9382 9.0790 9.0790 9.5747 9.5747 10.3916 10.3916 10.4283 10.4283 11.1350 11.1350 k = 0.0000 0.0000 0.4590 ( 2574 PWs) bands (ev): -27.2463 -27.2463 -10.0505 -10.0505 -8.9545 -8.9545 -8.8593 -8.8593 -6.5684 -6.5684 -6.5499 -6.5499 -6.5224 -6.5224 -6.4823 -6.4823 -6.1456 -6.1456 -6.0970 -6.0970 -6.0515 -6.0515 -5.9845 -5.9845 -5.9575 -5.9575 -5.9426 -5.9426 -0.1183 -0.1183 4.6391 4.6391 8.9382 8.9382 9.0790 9.0790 9.5747 9.5747 10.3916 10.3916 10.4283 10.4283 11.1350 11.1350 k = 0.0119 0.0069 0.4590 ( 2574 PWs) bands (ev): -27.2463 -27.2463 -10.0505 -10.0505 -8.9545 -8.9545 -8.8595 -8.8595 -6.5685 -6.5685 -6.5499 -6.5499 -6.5224 -6.5224 -6.4824 -6.4824 -6.1459 -6.1459 -6.0965 -6.0965 -6.0516 -6.0516 -5.9844 -5.9844 -5.9575 -5.9575 -5.9425 -5.9425 -0.1172 -0.1172 4.6411 4.6411 8.9017 8.9017 9.0442 9.0442 9.6274 9.6274 10.4034 10.4034 10.4386 10.4386 11.1280 11.1280 k = 0.0238 0.0137 0.4590 ( 2566 PWs) bands (ev): -27.2463 -27.2463 -10.0506 -10.0506 -8.9545 -8.9545 -8.8599 -8.8599 -6.5688 -6.5688 -6.5500 -6.5500 -6.5223 -6.5223 -6.4827 -6.4827 -6.1468 -6.1468 -6.0949 -6.0949 -6.0517 -6.0517 -5.9844 -5.9844 -5.9574 -5.9574 -5.9421 -5.9421 -0.1140 -0.1140 4.6472 4.6472 8.7872 8.7872 8.9893 8.9893 9.7393 9.7393 10.4397 10.4397 10.4704 10.4704 11.0973 11.0973 k = 0.0357 0.0206 0.4590 ( 2572 PWs) bands (ev): -27.2462 -27.2462 -10.0509 -10.0509 -8.9545 -8.9545 -8.8606 -8.8606 -6.5692 -6.5692 -6.5501 -6.5501 -6.5222 -6.5222 -6.4832 -6.4832 -6.1483 -6.1483 -6.0926 -6.0926 -6.0519 -6.0519 -5.9844 -5.9844 -5.9574 -5.9574 -5.9415 -5.9415 -0.1086 -0.1086 4.6572 4.6572 8.6249 8.6249 8.9347 8.9347 9.8551 9.8551 10.5031 10.5031 10.5256 10.5256 11.0416 11.0416 k = 0.0476 0.0275 0.4590 ( 2572 PWs) bands (ev): -27.2462 -27.2462 -10.0512 -10.0512 -8.9546 -8.9546 -8.8615 -8.8615 -6.5697 -6.5697 -6.5503 -6.5503 -6.5220 -6.5220 -6.4839 -6.4839 -6.1501 -6.1501 -6.0896 -6.0896 -6.0522 -6.0522 -5.9843 -5.9843 -5.9572 -5.9572 -5.9408 -5.9408 -0.1011 -0.1011 4.6712 4.6712 8.4438 8.4438 8.8734 8.8734 9.9488 9.9488 10.5848 10.5848 10.6170 10.6170 10.9681 10.9681 k = 0.0595 0.0344 0.4590 ( 2572 PWs) bands (ev): -27.2461 -27.2461 -10.0516 -10.0516 -8.9547 -8.9547 -8.8628 -8.8628 -6.5705 -6.5705 -6.5506 -6.5506 -6.5218 -6.5218 -6.4848 -6.4848 -6.1521 -6.1521 -6.0861 -6.0861 -6.0525 -6.0525 -5.9843 -5.9843 -5.9571 -5.9571 -5.9397 -5.9397 -0.0914 -0.0914 4.6892 4.6892 8.2552 8.2552 8.8045 8.8045 10.0135 10.0135 10.6721 10.6721 10.7528 10.7528 10.8830 10.8830 k = 0.0714 0.0412 0.4590 ( 2572 PWs) bands (ev): -27.2459 -27.2459 -10.0522 -10.0522 -8.9548 -8.9548 -8.8643 -8.8643 -6.5713 -6.5713 -6.5509 -6.5509 -6.5216 -6.5216 -6.4858 -6.4858 -6.1543 -6.1543 -6.0821 -6.0821 -6.0529 -6.0529 -5.9843 -5.9843 -5.9568 -5.9568 -5.9385 -5.9385 -0.0796 -0.0796 4.7112 4.7112 8.0633 8.0633 8.7297 8.7297 10.0543 10.0543 10.7613 10.7613 10.7927 10.7927 10.9229 10.9229 k = 0.0833 0.0481 0.4590 ( 2576 PWs) bands (ev): -27.2458 -27.2458 -10.0528 -10.0528 -8.9549 -8.9549 -8.8660 -8.8660 -6.5723 -6.5723 -6.5513 -6.5513 -6.5213 -6.5213 -6.4870 -6.4870 -6.1565 -6.1565 -6.0778 -6.0778 -6.0534 -6.0534 -5.9843 -5.9843 -5.9565 -5.9565 -5.9371 -5.9371 -0.0657 -0.0657 4.7370 4.7370 7.8702 7.8702 8.6507 8.6507 10.0794 10.0794 10.6816 10.6816 10.8780 10.8780 11.1080 11.1080 k = 0.0952 0.0550 0.4590 ( 2576 PWs) bands (ev): -27.2456 -27.2456 -10.0535 -10.0535 -8.9550 -8.9550 -8.8679 -8.8679 -6.5734 -6.5734 -6.5518 -6.5518 -6.5210 -6.5210 -6.4883 -6.4883 -6.1587 -6.1587 -6.0734 -6.0734 -6.0540 -6.0540 -5.9843 -5.9843 -5.9560 -5.9560 -5.9354 -5.9354 -0.0496 -0.0496 4.7667 4.7667 7.6773 7.6773 8.5690 8.5690 10.0948 10.0948 10.5767 10.5767 10.9909 10.9909 11.2693 11.2693 k = 0.1071 0.0619 0.4590 ( 2570 PWs) bands (ev): -27.2455 -27.2455 -10.0542 -10.0542 -8.9552 -8.9552 -8.8701 -8.8701 -6.5747 -6.5747 -6.5523 -6.5523 -6.5207 -6.5207 -6.4897 -6.4897 -6.1608 -6.1608 -6.0687 -6.0687 -6.0546 -6.0546 -5.9842 -5.9842 -5.9554 -5.9554 -5.9336 -5.9336 -0.0313 -0.0313 4.8001 4.8001 7.4851 7.4851 8.4858 8.4858 10.1042 10.1042 10.4688 10.4688 11.1100 11.1100 11.3009 11.3010 k = 0.1190 0.0687 0.4590 ( 2570 PWs) bands (ev): -27.2453 -27.2453 -10.0551 -10.0551 -8.9554 -8.9554 -8.8724 -8.8724 -6.5760 -6.5760 -6.5530 -6.5530 -6.5204 -6.5204 -6.4912 -6.4912 -6.1628 -6.1628 -6.0641 -6.0641 -6.0552 -6.0552 -5.9842 -5.9842 -5.9548 -5.9548 -5.9316 -5.9316 -0.0109 -0.0109 4.8374 4.8374 7.2941 7.2941 8.4019 8.4019 10.1099 10.1099 10.3595 10.3595 11.2338 11.2338 11.3358 11.3358 k = 0.1310 0.0756 0.4590 ( 2574 PWs) bands (ev): -27.2451 -27.2451 -10.0560 -10.0560 -8.9557 -8.9557 -8.8749 -8.8749 -6.5774 -6.5774 -6.5537 -6.5537 -6.5201 -6.5201 -6.4927 -6.4927 -6.1647 -6.1647 -6.0597 -6.0597 -6.0557 -6.0557 -5.9841 -5.9841 -5.9540 -5.9540 -5.9295 -5.9295 0.0117 0.0117 4.8783 4.8783 7.1048 7.1048 8.3183 8.3183 10.1131 10.1131 10.2496 10.2496 11.3601 11.3601 11.3757 11.3757 k = 0.1429 0.0825 0.4590 ( 2582 PWs) bands (ev): -27.2448 -27.2448 -10.0570 -10.0570 -8.9560 -8.9560 -8.8775 -8.8775 -6.5790 -6.5790 -6.5546 -6.5546 -6.5198 -6.5198 -6.4942 -6.4942 -6.1665 -6.1665 -6.0577 -6.0577 -6.0539 -6.0539 -5.9840 -5.9840 -5.9531 -5.9531 -5.9272 -5.9272 0.0364 0.0364 4.9227 4.9227 6.9173 6.9173 8.2352 8.2352 10.1146 10.1146 10.1398 10.1398 11.4154 11.4154 11.4932 11.4932 k = 0.1548 0.0894 0.4590 ( 2586 PWs) bands (ev): -27.2446 -27.2446 -10.0581 -10.0581 -8.9563 -8.9563 -8.8803 -8.8803 -6.5806 -6.5806 -6.5556 -6.5556 -6.5195 -6.5195 -6.4957 -6.4957 -6.1682 -6.1682 -6.0583 -6.0583 -6.0497 -6.0497 -5.9839 -5.9839 -5.9520 -5.9520 -5.9248 -5.9248 0.0632 0.0632 4.9708 4.9708 6.7319 6.7319 8.1533 8.1533 10.0306 10.0306 10.1152 10.1152 11.4609 11.4609 11.6268 11.6268 k = 0.1667 0.0962 0.4590 ( 2582 PWs) bands (ev): -27.2443 -27.2443 -10.0593 -10.0593 -8.9567 -8.9567 -8.8831 -8.8831 -6.5822 -6.5822 -6.5566 -6.5566 -6.5193 -6.5193 -6.4971 -6.4971 -6.1696 -6.1696 -6.0592 -6.0592 -6.0454 -6.0454 -5.9836 -5.9836 -5.9508 -5.9508 -5.9223 -5.9223 0.0922 0.0922 5.0222 5.0222 6.5487 6.5487 8.0727 8.0727 9.9222 9.9222 10.1150 10.1150 11.5098 11.5098 11.7625 11.7625 k = 0.1786 0.1031 0.4590 ( 2578 PWs) bands (ev): -27.2441 -27.2441 -10.0605 -10.0605 -8.9572 -8.9572 -8.8861 -8.8861 -6.5839 -6.5839 -6.5578 -6.5578 -6.5191 -6.5191 -6.4984 -6.4984 -6.1710 -6.1710 -6.0603 -6.0603 -6.0412 -6.0412 -5.9832 -5.9832 -5.9495 -5.9495 -5.9196 -5.9196 0.1234 0.1234 5.0770 5.0770 6.3680 6.3680 7.9939 7.9939 9.8150 9.8150 10.1144 10.1144 11.5621 11.5621 11.9000 11.9000 k = 0.1905 0.1100 0.4590 ( 2578 PWs) bands (ev): -27.2438 -27.2438 -10.0617 -10.0617 -8.9578 -8.9578 -8.8890 -8.8890 -6.5856 -6.5856 -6.5592 -6.5592 -6.5190 -6.5190 -6.4996 -6.4996 -6.1722 -6.1722 -6.0615 -6.0615 -6.0372 -6.0372 -5.9827 -5.9827 -5.9479 -5.9479 -5.9169 -5.9169 0.1566 0.1566 5.1350 5.1350 6.1897 6.1897 7.9169 7.9169 9.7092 9.7092 10.1135 10.1135 11.6178 11.6178 12.0385 12.0385 k = 0.2024 0.1168 0.4590 ( 2574 PWs) bands (ev): -27.2435 -27.2435 -10.0631 -10.0631 -8.9584 -8.9584 -8.8919 -8.8919 -6.5873 -6.5873 -6.5607 -6.5607 -6.5189 -6.5189 -6.5006 -6.5006 -6.1733 -6.1733 -6.0627 -6.0627 -6.0335 -6.0335 -5.9821 -5.9821 -5.9462 -5.9462 -5.9140 -5.9140 0.1920 0.1920 5.1962 5.1962 6.0141 6.0141 7.8420 7.8420 9.6047 9.6047 10.1126 10.1126 11.6768 11.6768 12.1774 12.1774 k = 0.2143 0.1237 0.4590 ( 2574 PWs) bands (ev): -27.2432 -27.2432 -10.0644 -10.0644 -8.9592 -8.9592 -8.8948 -8.8948 -6.5890 -6.5890 -6.5623 -6.5623 -6.5190 -6.5190 -6.5015 -6.5015 -6.1742 -6.1742 -6.0640 -6.0640 -6.0302 -6.0302 -5.9815 -5.9815 -5.9443 -5.9443 -5.9112 -5.9112 0.2294 0.2294 5.2604 5.2604 5.8413 5.8413 7.7694 7.7694 9.5019 9.5019 10.1117 10.1117 11.7391 11.7391 12.3132 12.3132 k = 0.2262 0.1306 0.4590 ( 2570 PWs) bands (ev): -27.2429 -27.2429 -10.0658 -10.0658 -8.9600 -8.9600 -8.8977 -8.8977 -6.5907 -6.5907 -6.5640 -6.5640 -6.5191 -6.5191 -6.5021 -6.5021 -6.1750 -6.1750 -6.0653 -6.0653 -6.0271 -6.0271 -5.9807 -5.9807 -5.9421 -5.9421 -5.9083 -5.9083 0.2689 0.2689 5.3275 5.3275 5.6714 5.6714 7.6991 7.6991 9.4005 9.4005 10.1109 10.1109 11.8047 11.8047 12.3963 12.3963 k = 0.2381 0.1375 0.4590 ( 2576 PWs) bands (ev): -27.2426 -27.2426 -10.0672 -10.0672 -8.9610 -8.9610 -8.9004 -8.9004 -6.5924 -6.5924 -6.5659 -6.5659 -6.5193 -6.5193 -6.5026 -6.5026 -6.1758 -6.1758 -6.0668 -6.0668 -6.0243 -6.0243 -5.9800 -5.9800 -5.9397 -5.9397 -5.9054 -5.9054 0.3105 0.3105 5.3973 5.3973 5.5046 5.5046 7.6313 7.6313 9.3008 9.3008 10.1103 10.1103 11.8734 11.8734 12.4326 12.4326 k = 0.2500 0.1443 0.4590 ( 2580 PWs) bands (ev): -27.2423 -27.2423 -10.0686 -10.0686 -8.9621 -8.9621 -8.9030 -8.9030 -6.5941 -6.5941 -6.5679 -6.5679 -6.5196 -6.5196 -6.5030 -6.5030 -6.1764 -6.1764 -6.0683 -6.0683 -6.0219 -6.0219 -5.9792 -5.9792 -5.9371 -5.9371 -5.9025 -5.9025 0.3540 0.3540 5.3405 5.3405 5.4701 5.4701 7.5660 7.5660 9.2027 9.2027 10.1099 10.1099 11.9453 11.9453 12.4656 12.4656 k = 0.2619 0.1512 0.4590 ( 2576 PWs) bands (ev): -27.2420 -27.2420 -10.0701 -10.0701 -8.9633 -8.9633 -8.9055 -8.9055 -6.5957 -6.5957 -6.5699 -6.5699 -6.5199 -6.5199 -6.5032 -6.5032 -6.1769 -6.1769 -6.0698 -6.0698 -6.0197 -6.0197 -5.9784 -5.9784 -5.9342 -5.9342 -5.8996 -5.8996 0.3995 0.3995 5.1800 5.1800 5.5451 5.5451 7.5034 7.5034 9.1061 9.1061 10.1098 10.1098 12.0203 12.0203 12.4971 12.4971 k = 0.2738 0.1581 0.4590 ( 2574 PWs) bands (ev): -27.2418 -27.2418 -10.0715 -10.0715 -8.9646 -8.9646 -8.9078 -8.9078 -6.5973 -6.5973 -6.5720 -6.5720 -6.5202 -6.5202 -6.5032 -6.5032 -6.1773 -6.1773 -6.0713 -6.0713 -6.0178 -6.0178 -5.9777 -5.9777 -5.9312 -5.9312 -5.8968 -5.8968 0.4468 0.4468 5.0227 5.0227 5.6225 5.6225 7.4435 7.4435 9.0110 9.0110 10.1099 10.1099 12.0983 12.0983 12.5269 12.5269 k = 0.2857 0.1650 0.4590 ( 2566 PWs) bands (ev): -27.2415 -27.2415 -10.0730 -10.0730 -8.9661 -8.9661 -8.9100 -8.9100 -6.5988 -6.5988 -6.5742 -6.5742 -6.5206 -6.5206 -6.5031 -6.5031 -6.1776 -6.1776 -6.0728 -6.0728 -6.0161 -6.0161 -5.9770 -5.9770 -5.9280 -5.9280 -5.8940 -5.8940 0.4959 0.4959 4.8690 4.8690 5.7021 5.7021 7.3864 7.3864 8.9172 8.9172 10.1103 10.1103 12.1792 12.1792 12.5545 12.5545 k = 0.2976 0.1718 0.4590 ( 2562 PWs) bands (ev): -27.2412 -27.2412 -10.0744 -10.0744 -8.9676 -8.9676 -8.9119 -8.9119 -6.6002 -6.6002 -6.5764 -6.5764 -6.5209 -6.5209 -6.5030 -6.5030 -6.1778 -6.1778 -6.0744 -6.0744 -6.0145 -6.0145 -5.9763 -5.9763 -5.9247 -5.9247 -5.8913 -5.8913 0.5468 0.5468 4.7189 4.7189 5.7837 5.7837 7.3321 7.3321 8.8248 8.8248 10.1111 10.1111 12.2629 12.2629 12.5792 12.5792 k = 0.3095 0.1787 0.4590 ( 2558 PWs) bands (ev): -27.2409 -27.2409 -10.0758 -10.0758 -8.9693 -8.9693 -8.9137 -8.9137 -6.6016 -6.6016 -6.5787 -6.5787 -6.5213 -6.5213 -6.5028 -6.5028 -6.1780 -6.1780 -6.0760 -6.0760 -6.0132 -6.0132 -5.9758 -5.9758 -5.9213 -5.9213 -5.8887 -5.8887 0.5991 0.5991 4.5726 4.5726 5.8673 5.8673 7.2807 7.2807 8.7336 8.7336 10.1121 10.1121 12.3495 12.3495 12.6003 12.6003 k = 0.3214 0.1856 0.4590 ( 2562 PWs) bands (ev): -27.2406 -27.2406 -10.0772 -10.0772 -8.9710 -8.9710 -8.9152 -8.9152 -6.6029 -6.6029 -6.5809 -6.5809 -6.5217 -6.5217 -6.5026 -6.5026 -6.1781 -6.1781 -6.0775 -6.0775 -6.0119 -6.0119 -5.9754 -5.9754 -5.9178 -5.9178 -5.8862 -5.8862 0.6529 0.6529 4.4304 4.4304 5.9526 5.9526 7.2322 7.2322 8.6435 8.6435 10.1134 10.1134 12.4387 12.4387 12.6173 12.6173 k = 0.3333 0.1925 0.4590 ( 2562 PWs) bands (ev): -27.2403 -27.2403 -10.0786 -10.0786 -8.9728 -8.9728 -8.9166 -8.9166 -6.6040 -6.6040 -6.5832 -6.5832 -6.5220 -6.5220 -6.5023 -6.5023 -6.1781 -6.1781 -6.0791 -6.0791 -6.0108 -6.0108 -5.9750 -5.9750 -5.9144 -5.9144 -5.8839 -5.8839 0.7080 0.7080 4.2924 4.2924 6.0394 6.0394 7.1866 7.1866 8.5543 8.5543 10.1148 10.1148 12.5304 12.5304 12.6294 12.6294 k = 0.3452 0.1993 0.4590 ( 2562 PWs) bands (ev): -27.2401 -27.2401 -10.0799 -10.0799 -8.9747 -8.9747 -8.9178 -8.9178 -6.6051 -6.6051 -6.5854 -6.5854 -6.5223 -6.5223 -6.5020 -6.5020 -6.1781 -6.1781 -6.0806 -6.0806 -6.0098 -6.0098 -5.9747 -5.9747 -5.9110 -5.9110 -5.8817 -5.8817 0.7640 0.7640 4.1590 4.1590 6.1276 6.1276 7.1441 7.1441 8.4660 8.4660 10.1165 10.1165 12.6246 12.6246 12.6363 12.6363 k = 0.3571 0.2062 0.4590 ( 2570 PWs) bands (ev): -27.2399 -27.2399 -10.0811 -10.0811 -8.9765 -8.9765 -8.9188 -8.9188 -6.6061 -6.6061 -6.5876 -6.5876 -6.5226 -6.5226 -6.5018 -6.5018 -6.1781 -6.1781 -6.0820 -6.0820 -6.0089 -6.0089 -5.9745 -5.9745 -5.9077 -5.9077 -5.8797 -5.8797 0.8207 0.8207 4.0304 4.0304 6.2170 6.2170 7.1046 7.1046 8.3782 8.3782 10.1183 10.1183 12.6375 12.6375 12.7212 12.7212 k = 0.3690 0.2131 0.4590 ( 2566 PWs) bands (ev): -27.2396 -27.2396 -10.0823 -10.0823 -8.9783 -8.9783 -8.9197 -8.9197 -6.6069 -6.6069 -6.5897 -6.5897 -6.5228 -6.5228 -6.5015 -6.5015 -6.1780 -6.1780 -6.0834 -6.0834 -6.0080 -6.0080 -5.9743 -5.9743 -5.9045 -5.9045 -5.8777 -5.8777 0.8778 0.8778 3.9071 3.9071 6.3074 6.3074 7.0682 7.0682 8.2910 8.2910 10.1203 10.1203 12.6333 12.6333 12.8198 12.8198 k = 0.3810 0.2199 0.4590 ( 2574 PWs) bands (ev): -27.2394 -27.2394 -10.0834 -10.0834 -8.9800 -8.9800 -8.9205 -8.9205 -6.6076 -6.6076 -6.5917 -6.5917 -6.5230 -6.5230 -6.5013 -6.5013 -6.1779 -6.1779 -6.0847 -6.0847 -6.0072 -6.0072 -5.9742 -5.9742 -5.9015 -5.9015 -5.8760 -5.8760 0.9348 0.9348 3.7895 3.7895 6.3986 6.3986 7.0349 7.0349 8.2042 8.2042 10.1223 10.1223 12.6241 12.6241 12.9203 12.9204 k = 0.3929 0.2268 0.4590 ( 2582 PWs) bands (ev): -27.2392 -27.2392 -10.0844 -10.0844 -8.9816 -8.9816 -8.9212 -8.9212 -6.6083 -6.6083 -6.5937 -6.5937 -6.5232 -6.5232 -6.5010 -6.5010 -6.1778 -6.1778 -6.0859 -6.0859 -6.0065 -6.0065 -5.9741 -5.9741 -5.8986 -5.8986 -5.8745 -5.8745 0.9912 0.9912 3.6782 3.6782 6.4904 6.4904 7.0048 7.0048 8.1175 8.1175 10.1243 10.1243 12.6106 12.6106 13.0226 13.0226 k = 0.4048 0.2337 0.4590 ( 2580 PWs) bands (ev): -27.2390 -27.2390 -10.0853 -10.0853 -8.9832 -8.9832 -8.9217 -8.9217 -6.6087 -6.6087 -6.5955 -6.5955 -6.5234 -6.5234 -6.5008 -6.5008 -6.1777 -6.1777 -6.0871 -6.0871 -6.0059 -6.0059 -5.9740 -5.9740 -5.8960 -5.8960 -5.8731 -5.8731 1.0463 1.0463 3.5739 3.5739 6.5825 6.5825 6.9778 6.9778 8.0309 8.0309 10.1263 10.1263 12.5939 12.5939 13.1263 13.1263 k = 0.4167 0.2406 0.4590 ( 2574 PWs) bands (ev): -27.2389 -27.2389 -10.0862 -10.0862 -8.9846 -8.9846 -8.9221 -8.9221 -6.6091 -6.6091 -6.5972 -6.5972 -6.5236 -6.5236 -6.5006 -6.5006 -6.1775 -6.1775 -6.0881 -6.0881 -6.0053 -6.0053 -5.9740 -5.9740 -5.8935 -5.8935 -5.8719 -5.8719 1.0992 1.0992 3.4775 3.4775 6.6748 6.6748 6.9542 6.9542 7.9442 7.9442 10.1282 10.1282 12.5753 12.5753 13.2308 13.2308 k = 0.4286 0.2474 0.4590 ( 2574 PWs) bands (ev): -27.2387 -27.2387 -10.0869 -10.0869 -8.9858 -8.9858 -8.9225 -8.9225 -6.6093 -6.6093 -6.5987 -6.5987 -6.5237 -6.5237 -6.5004 -6.5004 -6.1774 -6.1774 -6.0890 -6.0890 -6.0048 -6.0048 -5.9740 -5.9740 -5.8913 -5.8913 -5.8708 -5.8708 1.1491 1.1491 3.3899 3.3899 6.7667 6.7667 6.9342 6.9342 7.8573 7.8573 10.1299 10.1299 12.5560 12.5560 13.3356 13.3356 k = 0.4405 0.2543 0.4590 ( 2574 PWs) bands (ev): -27.2386 -27.2386 -10.0876 -10.0876 -8.9869 -8.9869 -8.9228 -8.9228 -6.6094 -6.6094 -6.6002 -6.6002 -6.5238 -6.5238 -6.5002 -6.5002 -6.1773 -6.1773 -6.0898 -6.0898 -6.0043 -6.0043 -5.9740 -5.9740 -5.8894 -5.8894 -5.8700 -5.8700 1.1948 1.1948 3.3123 3.3123 6.8556 6.8556 6.9202 6.9202 7.7701 7.7701 10.1315 10.1315 12.5374 12.5374 13.4395 13.4395 k = 0.4524 0.2612 0.4590 ( 2578 PWs) bands (ev): -27.2385 -27.2385 -10.0881 -10.0881 -8.9878 -8.9878 -8.9230 -8.9230 -6.6095 -6.6095 -6.6015 -6.6015 -6.5239 -6.5239 -6.5001 -6.5001 -6.1772 -6.1772 -6.0904 -6.0904 -6.0040 -6.0040 -5.9740 -5.9740 -5.8879 -5.8879 -5.8693 -5.8693 1.2349 1.2349 3.2460 3.2460 6.8942 6.8942 6.9595 6.9595 7.6825 7.6825 10.1328 10.1328 12.5205 12.5205 13.5407 13.5407 k = 0.4643 0.2681 0.4590 ( 2578 PWs) bands (ev): -27.2384 -27.2384 -10.0885 -10.0885 -8.9886 -8.9886 -8.9232 -8.9232 -6.6094 -6.6094 -6.6025 -6.6025 -6.5239 -6.5239 -6.5000 -6.5000 -6.1770 -6.1770 -6.0910 -6.0910 -6.0037 -6.0037 -5.9740 -5.9740 -5.8866 -5.8866 -5.8688 -5.8688 1.2682 1.2682 3.1924 3.1924 6.8865 6.8865 7.0478 7.0478 7.5947 7.5947 10.1339 10.1339 12.5064 12.5064 13.6354 13.6354 k = 0.4762 0.2749 0.4590 ( 2582 PWs) bands (ev): -27.2384 -27.2384 -10.0888 -10.0888 -8.9891 -8.9891 -8.9233 -8.9233 -6.6093 -6.6093 -6.6034 -6.6034 -6.5240 -6.5240 -6.4999 -6.4999 -6.1770 -6.1770 -6.0914 -6.0914 -6.0035 -6.0035 -5.9741 -5.9741 -5.8857 -5.8857 -5.8684 -5.8684 1.2931 1.2931 3.1528 3.1528 6.8792 6.8792 7.1378 7.1378 7.5069 7.5069 10.1346 10.1346 12.4957 12.4957 13.7055 13.7055 k = 0.4881 0.2818 0.4590 ( 2578 PWs) bands (ev): -27.2384 -27.2384 -10.0890 -10.0890 -8.9894 -8.9894 -8.9234 -8.9234 -6.6091 -6.6091 -6.6040 -6.6040 -6.5240 -6.5240 -6.4998 -6.4998 -6.1769 -6.1769 -6.0916 -6.0916 -6.0034 -6.0034 -5.9740 -5.9740 -5.8852 -5.8852 -5.8683 -5.8683 1.3087 1.3087 3.1286 3.1286 6.8747 6.8747 7.2256 7.2256 7.4207 7.4207 10.1351 10.1351 12.4891 12.4891 13.7106 13.7106 k = 0.5000 0.2887 0.4590 ( 2576 PWs) bands (ev): -27.2383 -27.2383 -10.0890 -10.0890 -8.9895 -8.9895 -8.9234 -8.9234 -6.6090 -6.6090 -6.6041 -6.6041 -6.5240 -6.5240 -6.4998 -6.4998 -6.1769 -6.1769 -6.0916 -6.0916 -6.0033 -6.0033 -5.9740 -5.9740 -5.8850 -5.8850 -5.8682 -5.8682 1.3139 1.3139 3.1204 3.1204 6.8732 6.8732 7.2870 7.2870 7.3598 7.3598 10.1353 10.1353 12.4869 12.4869 13.7093 13.7093 k = 0.5000 0.2887 0.4590 ( 2576 PWs) bands (ev): -27.2383 -27.2383 -10.0890 -10.0890 -8.9895 -8.9895 -8.9234 -8.9234 -6.6090 -6.6090 -6.6041 -6.6041 -6.5240 -6.5240 -6.4998 -6.4998 -6.1769 -6.1769 -6.0916 -6.0916 -6.0033 -6.0033 -5.9740 -5.9740 -5.8850 -5.8850 -5.8682 -5.8682 1.3139 1.3139 3.1204 3.1204 6.8732 6.8732 7.2870 7.2870 7.3598 7.3598 10.1353 10.1353 12.4869 12.4869 13.7093 13.7093 k = 0.4933 0.3002 0.4590 ( 2576 PWs) bands (ev): -27.2383 -27.2383 -10.0891 -10.0891 -8.9894 -8.9894 -8.9235 -8.9235 -6.6098 -6.6098 -6.6035 -6.6035 -6.5239 -6.5239 -6.4999 -6.4999 -6.1768 -6.1768 -6.0917 -6.0917 -6.0034 -6.0034 -5.9740 -5.9740 -5.8856 -5.8856 -5.8675 -5.8675 1.3153 1.3153 3.1191 3.1191 6.8671 6.8671 7.2874 7.2874 7.3612 7.3612 10.1453 10.1453 12.4847 12.4847 13.7086 13.7086 k = 0.4867 0.3118 0.4590 ( 2576 PWs) bands (ev): -27.2383 -27.2383 -10.0891 -10.0891 -8.9893 -8.9893 -8.9238 -8.9238 -6.6113 -6.6113 -6.6020 -6.6020 -6.5239 -6.5239 -6.4999 -6.4999 -6.1766 -6.1766 -6.0917 -6.0917 -6.0037 -6.0037 -5.9738 -5.9738 -5.8873 -5.8873 -5.8655 -5.8655 1.3195 1.3195 3.1152 3.1152 6.8494 6.8494 7.2887 7.2887 7.3654 7.3654 10.1749 10.1749 12.4779 12.4779 13.7067 13.7067 k = 0.4800 0.3233 0.4590 ( 2580 PWs) bands (ev): -27.2383 -27.2383 -10.0892 -10.0892 -8.9891 -8.9891 -8.9243 -8.9243 -6.6132 -6.6132 -6.6005 -6.6005 -6.5237 -6.5237 -6.5001 -6.5001 -6.1763 -6.1763 -6.0919 -6.0919 -6.0042 -6.0042 -5.9736 -5.9736 -5.8896 -5.8896 -5.8628 -5.8628 1.3265 1.3265 3.1087 3.1087 6.8206 6.8206 7.2908 7.2908 7.3723 7.3723 10.2234 10.2234 12.4662 12.4662 13.7031 13.7031 k = 0.4733 0.3349 0.4590 ( 2578 PWs) bands (ev): -27.2383 -27.2383 -10.0892 -10.0892 -8.9887 -8.9887 -8.9250 -8.9250 -6.6152 -6.6152 -6.5989 -6.5989 -6.5234 -6.5234 -6.5002 -6.5002 -6.1758 -6.1758 -6.0921 -6.0921 -6.0048 -6.0048 -5.9732 -5.9732 -5.8921 -5.8921 -5.8598 -5.8598 1.3363 1.3363 3.0995 3.0995 6.7822 6.7822 7.2938 7.2938 7.3818 7.3818 10.2895 10.2895 12.4490 12.4490 13.6975 13.6975 k = 0.4667 0.3464 0.4590 ( 2574 PWs) bands (ev): -27.2383 -27.2383 -10.0893 -10.0893 -8.9883 -8.9883 -8.9259 -8.9259 -6.6172 -6.6172 -6.5973 -6.5973 -6.5231 -6.5231 -6.5004 -6.5004 -6.1751 -6.1751 -6.0923 -6.0923 -6.0056 -6.0056 -5.9728 -5.9728 -5.8946 -5.8946 -5.8565 -5.8565 1.3489 1.3489 3.0876 3.0876 6.7355 6.7355 7.2977 7.2977 7.3940 7.3940 10.3715 10.3715 12.4256 12.4256 13.6874 13.6874 k = 0.4600 0.3580 0.4590 ( 2574 PWs) bands (ev): -27.2382 -27.2382 -10.0895 -10.0895 -8.9878 -8.9878 -8.9270 -8.9270 -6.6192 -6.6192 -6.5958 -6.5958 -6.5227 -6.5227 -6.5007 -6.5007 -6.1744 -6.1744 -6.0927 -6.0927 -6.0066 -6.0066 -5.9722 -5.9722 -5.8972 -5.8972 -5.8532 -5.8532 1.3643 1.3643 3.0729 3.0729 6.6821 6.6821 7.3026 7.3026 7.4085 7.4085 10.4678 10.4678 12.3953 12.3953 13.6573 13.6573 k = 0.4533 0.3695 0.4590 ( 2570 PWs) bands (ev): -27.2382 -27.2382 -10.0896 -10.0896 -8.9872 -8.9872 -8.9282 -8.9282 -6.6213 -6.6213 -6.5944 -6.5944 -6.5223 -6.5223 -6.5010 -6.5010 -6.1735 -6.1735 -6.0930 -6.0930 -6.0076 -6.0076 -5.9717 -5.9717 -5.8996 -5.8996 -5.8498 -5.8498 1.3824 1.3824 3.0552 3.0552 6.6239 6.6239 7.3084 7.3084 7.4252 7.4252 10.5765 10.5765 12.3572 12.3572 13.5961 13.5961 k = 0.4467 0.3811 0.4590 ( 2570 PWs) bands (ev): -27.2381 -27.2381 -10.0898 -10.0898 -8.9866 -8.9866 -8.9296 -8.9296 -6.6233 -6.6233 -6.5931 -6.5931 -6.5218 -6.5218 -6.5013 -6.5013 -6.1725 -6.1725 -6.0935 -6.0935 -6.0088 -6.0088 -5.9710 -5.9710 -5.9019 -5.9019 -5.8464 -5.8464 1.4034 1.4034 3.0346 3.0346 6.5623 6.5623 7.3152 7.3152 7.4440 7.4440 10.6959 10.6959 12.3109 12.3109 13.5343 13.5343 k = 0.4400 0.3926 0.4590 ( 2566 PWs) bands (ev): -27.2381 -27.2381 -10.0900 -10.0900 -8.9858 -8.9858 -8.9311 -8.9311 -6.6252 -6.6252 -6.5919 -6.5919 -6.5212 -6.5212 -6.5017 -6.5017 -6.1715 -6.1715 -6.0940 -6.0940 -6.0100 -6.0100 -5.9704 -5.9704 -5.9041 -5.9041 -5.8430 -5.8430 1.4273 1.4273 3.0108 3.0108 6.4989 6.4989 7.3230 7.3230 7.4644 7.4644 10.8244 10.8244 12.2564 12.2564 13.4803 13.4803 k = 0.4333 0.4041 0.4590 ( 2570 PWs) bands (ev): -27.2380 -27.2380 -10.0902 -10.0902 -8.9850 -8.9850 -8.9328 -8.9328 -6.6272 -6.6272 -6.5908 -6.5908 -6.5206 -6.5206 -6.5021 -6.5021 -6.1703 -6.1703 -6.0946 -6.0946 -6.0112 -6.0112 -5.9697 -5.9697 -5.9061 -5.9061 -5.8398 -5.8398 1.4539 1.4539 2.9839 2.9839 6.4349 6.4349 7.3318 7.3318 7.4862 7.4862 10.9602 10.9602 12.1942 12.1942 13.4358 13.4358 k = 0.4267 0.4157 0.4590 ( 2570 PWs) bands (ev): -27.2380 -27.2380 -10.0904 -10.0904 -8.9841 -8.9841 -8.9345 -8.9345 -6.6290 -6.6290 -6.5899 -6.5899 -6.5200 -6.5200 -6.5026 -6.5026 -6.1691 -6.1691 -6.0952 -6.0952 -6.0125 -6.0125 -5.9690 -5.9690 -5.9080 -5.9080 -5.8366 -5.8366 1.4834 1.4834 2.9537 2.9537 6.3716 6.3716 7.3416 7.3416 7.5089 7.5089 11.1019 11.1019 12.1254 12.1254 13.4009 13.4009 k = 0.4200 0.4272 0.4590 ( 2566 PWs) bands (ev): -27.2379 -27.2379 -10.0906 -10.0906 -8.9831 -8.9831 -8.9364 -8.9364 -6.6308 -6.6308 -6.5890 -6.5890 -6.5193 -6.5193 -6.5031 -6.5031 -6.1678 -6.1678 -6.0959 -6.0959 -6.0137 -6.0137 -5.9684 -5.9684 -5.9097 -5.9097 -5.8335 -5.8335 1.5157 1.5157 2.9201 2.9201 6.3099 6.3099 7.3525 7.3525 7.5323 7.5323 11.2481 11.2481 12.0514 12.0514 13.3750 13.3750 k = 0.4133 0.4388 0.4590 ( 2562 PWs) bands (ev): -27.2379 -27.2379 -10.0908 -10.0908 -8.9821 -8.9821 -8.9383 -8.9383 -6.6325 -6.6325 -6.5882 -6.5882 -6.5187 -6.5187 -6.5036 -6.5036 -6.1665 -6.1665 -6.0966 -6.0966 -6.0149 -6.0149 -5.9677 -5.9677 -5.9112 -5.9112 -5.8306 -5.8306 1.5508 1.5508 2.8831 2.8831 6.2507 6.2507 7.3645 7.3645 7.5557 7.5557 11.3972 11.3972 11.9739 11.9739 13.3571 13.3571 k = 0.4067 0.4503 0.4590 ( 2554 PWs) bands (ev): -27.2378 -27.2378 -10.0911 -10.0911 -8.9810 -8.9810 -8.9403 -8.9403 -6.6340 -6.6340 -6.5875 -6.5875 -6.5180 -6.5180 -6.5040 -6.5040 -6.1652 -6.1652 -6.0974 -6.0974 -6.0160 -6.0160 -5.9671 -5.9671 -5.9126 -5.9126 -5.8278 -5.8278 1.5888 1.5888 2.8426 2.8426 6.1947 6.1947 7.3776 7.3776 7.5788 7.5788 11.5478 11.5478 11.8948 11.8948 13.3461 13.3461 k = 0.4000 0.4619 0.4590 ( 2558 PWs) bands (ev): -27.2377 -27.2377 -10.0913 -10.0913 -8.9798 -8.9798 -8.9424 -8.9424 -6.6356 -6.6356 -6.5869 -6.5869 -6.5173 -6.5173 -6.5045 -6.5045 -6.1638 -6.1638 -6.0982 -6.0982 -6.0171 -6.0171 -5.9665 -5.9665 -5.9138 -5.9138 -5.8252 -5.8252 1.6296 1.6296 2.7988 2.7988 6.1426 6.1426 7.3919 7.3919 7.6007 7.6007 11.6984 11.6984 11.8159 11.8159 13.3408 13.3408 k = 0.3933 0.4734 0.4590 ( 2550 PWs) bands (ev): -27.2377 -27.2377 -10.0915 -10.0915 -8.9786 -8.9786 -8.9444 -8.9444 -6.6369 -6.6369 -6.5864 -6.5864 -6.5166 -6.5166 -6.5051 -6.5051 -6.1625 -6.1625 -6.0990 -6.0990 -6.0181 -6.0181 -5.9659 -5.9659 -5.9149 -5.9149 -5.8228 -5.8228 1.6733 1.6733 2.7515 2.7515 6.0948 6.0948 7.4073 7.4073 7.6210 7.6210 11.7389 11.7389 11.8476 11.8476 13.3399 13.3399 k = 0.3867 0.4850 0.4590 ( 2554 PWs) bands (ev): -27.2376 -27.2376 -10.0918 -10.0918 -8.9774 -8.9774 -8.9464 -8.9464 -6.6382 -6.6382 -6.5860 -6.5860 -6.5159 -6.5159 -6.5056 -6.5056 -6.1612 -6.1612 -6.0999 -6.0999 -6.0191 -6.0191 -5.9653 -5.9653 -5.9158 -5.9158 -5.8206 -5.8206 1.7199 1.7199 2.7009 2.7009 6.0515 6.0515 7.4239 7.4239 7.6390 7.6390 11.6654 11.6654 11.9939 11.9939 13.3418 13.3418 k = 0.3800 0.4965 0.4590 ( 2558 PWs) bands (ev): -27.2376 -27.2376 -10.0920 -10.0920 -8.9762 -8.9762 -8.9484 -8.9484 -6.6393 -6.6393 -6.5857 -6.5857 -6.5153 -6.5153 -6.5061 -6.5061 -6.1601 -6.1601 -6.1007 -6.1007 -6.0199 -6.0199 -5.9648 -5.9648 -5.9166 -5.9166 -5.8187 -5.8187 1.7693 1.7693 2.6471 2.6471 6.0133 6.0133 7.4417 7.4417 7.6539 7.6539 11.5968 11.5968 12.1357 12.1357 13.3420 13.3420 k = 0.3733 0.5081 0.4590 ( 2554 PWs) bands (ev): -27.2375 -27.2375 -10.0922 -10.0922 -8.9750 -8.9750 -8.9504 -8.9504 -6.6403 -6.6403 -6.5854 -6.5854 -6.5147 -6.5147 -6.5065 -6.5065 -6.1590 -6.1590 -6.1015 -6.1015 -6.0206 -6.0206 -5.9644 -5.9644 -5.9173 -5.9173 -5.8169 -5.8169 1.8217 1.8217 2.5903 2.5903 5.9801 5.9801 7.4608 7.4608 7.6650 7.6650 11.5345 11.5345 12.2717 12.2717 13.3166 13.3166 k = 0.3667 0.5196 0.4590 ( 2544 PWs) bands (ev): -27.2375 -27.2375 -10.0924 -10.0924 -8.9738 -8.9738 -8.9522 -8.9522 -6.6412 -6.6412 -6.5851 -6.5851 -6.5142 -6.5142 -6.5069 -6.5069 -6.1580 -6.1580 -6.1022 -6.1022 -6.0212 -6.0212 -5.9639 -5.9639 -5.9178 -5.9178 -5.8154 -5.8154 1.8769 1.8769 2.5305 2.5305 5.9521 5.9521 7.4811 7.4811 7.6717 7.6717 11.4797 11.4797 12.4004 12.4004 13.2636 13.2636 k = 0.3600 0.5312 0.4590 ( 2548 PWs) bands (ev): -27.2374 -27.2374 -10.0925 -10.0925 -8.9727 -8.9727 -8.9538 -8.9538 -6.6419 -6.6419 -6.5850 -6.5850 -6.5137 -6.5137 -6.5073 -6.5073 -6.1571 -6.1571 -6.1028 -6.1028 -6.0217 -6.0217 -5.9636 -5.9636 -5.9182 -5.9182 -5.8142 -5.8142 1.9350 1.9350 2.4682 2.4682 5.9293 5.9293 7.5025 7.5025 7.6732 7.6732 11.4333 11.4333 12.5210 12.5210 13.2022 13.2022 k = 0.3533 0.5427 0.4590 ( 2548 PWs) bands (ev): -27.2374 -27.2374 -10.0927 -10.0927 -8.9717 -8.9717 -8.9553 -8.9553 -6.6424 -6.6424 -6.5849 -6.5849 -6.5133 -6.5133 -6.5076 -6.5076 -6.1565 -6.1565 -6.1033 -6.1033 -6.0221 -6.0221 -5.9634 -5.9634 -5.9185 -5.9185 -5.8132 -5.8132 1.9960 1.9960 2.4034 2.4034 5.9117 5.9117 7.5251 7.5251 7.6692 7.6692 11.3963 11.3963 12.6325 12.6325 13.1355 13.1355 k = 0.3467 0.5543 0.4590 ( 2548 PWs) bands (ev): -27.2374 -27.2374 -10.0928 -10.0928 -8.9709 -8.9709 -8.9564 -8.9564 -6.6428 -6.6428 -6.5848 -6.5848 -6.5131 -6.5131 -6.5079 -6.5079 -6.1560 -6.1560 -6.1037 -6.1037 -6.0223 -6.0223 -5.9632 -5.9632 -5.9187 -5.9187 -5.8125 -5.8125 2.0599 2.0599 2.3365 2.3365 5.8993 5.8993 7.5483 7.5483 7.6596 7.6596 11.3693 11.3693 12.7347 12.7347 13.0645 13.0645 k = 0.3400 0.5658 0.4590 ( 2536 PWs) bands (ev): -27.2373 -27.2373 -10.0928 -10.0928 -8.9704 -8.9704 -8.9571 -8.9571 -6.6430 -6.6430 -6.5847 -6.5847 -6.5129 -6.5129 -6.5080 -6.5080 -6.1556 -6.1556 -6.1040 -6.1040 -6.0225 -6.0225 -5.9630 -5.9630 -5.9188 -5.9188 -5.8121 -5.8121 2.1265 2.1265 2.2678 2.2678 5.8920 5.8920 7.5705 7.5705 7.6458 7.6458 11.3529 11.3529 12.8275 12.8275 12.9897 12.9897 k = 0.3333 0.5774 0.4590 ( 2544 PWs) bands (ev): -27.2373 -27.2373 -10.0928 -10.0928 -8.9702 -8.9702 -8.9574 -8.9574 -6.6431 -6.6431 -6.5848 -6.5848 -6.5128 -6.5128 -6.5081 -6.5081 -6.1556 -6.1556 -6.1041 -6.1041 -6.0225 -6.0225 -5.9630 -5.9630 -5.9188 -5.9188 -5.8120 -5.8120 2.1888 2.1888 2.2048 2.2048 5.8895 5.8895 7.5829 7.5829 7.6361 7.6361 11.3474 11.3474 12.9082 12.9082 12.9147 12.9147 k = 0.3333 0.5774 0.4590 ( 2544 PWs) bands (ev): -27.2373 -27.2373 -10.0928 -10.0928 -8.9702 -8.9702 -8.9574 -8.9574 -6.6431 -6.6431 -6.5848 -6.5848 -6.5128 -6.5128 -6.5081 -6.5081 -6.1556 -6.1556 -6.1041 -6.1041 -6.0225 -6.0225 -5.9630 -5.9630 -5.9188 -5.9188 -5.8120 -5.8120 2.1888 2.1888 2.2048 2.2048 5.8895 5.8895 7.5829 7.5829 7.6361 7.6361 11.3474 11.3474 12.9082 12.9082 12.9147 12.9147 k = 0.3265 0.5656 0.4590 ( 2546 PWs) bands (ev): -27.2373 -27.2373 -10.0928 -10.0928 -8.9704 -8.9704 -8.9571 -8.9571 -6.6430 -6.6430 -6.5848 -6.5848 -6.5129 -6.5129 -6.5080 -6.5080 -6.1557 -6.1557 -6.1040 -6.1040 -6.0225 -6.0225 -5.9631 -5.9631 -5.9188 -5.9188 -5.8121 -5.8121 2.1230 2.1230 2.2715 2.2715 5.8920 5.8920 7.5667 7.5667 7.6495 7.6495 11.3531 11.3531 12.8287 12.8287 12.9886 12.9886 k = 0.3197 0.5538 0.4590 ( 2550 PWs) bands (ev): -27.2374 -27.2374 -10.0927 -10.0927 -8.9708 -8.9708 -8.9565 -8.9565 -6.6428 -6.6428 -6.5848 -6.5848 -6.5130 -6.5130 -6.5079 -6.5079 -6.1560 -6.1560 -6.1037 -6.1037 -6.0224 -6.0224 -5.9632 -5.9632 -5.9187 -5.9187 -5.8126 -5.8126 2.0487 2.0487 2.3486 2.3486 5.8993 5.8993 7.5309 7.5309 7.6768 7.6768 11.3701 11.3701 12.7437 12.7437 13.0580 13.0580 k = 0.3129 0.5420 0.4590 ( 2550 PWs) bands (ev): -27.2374 -27.2374 -10.0926 -10.0926 -8.9714 -8.9714 -8.9554 -8.9554 -6.6424 -6.6424 -6.5848 -6.5848 -6.5132 -6.5132 -6.5078 -6.5078 -6.1565 -6.1565 -6.1033 -6.1033 -6.0221 -6.0221 -5.9634 -5.9634 -5.9186 -5.9186 -5.8133 -5.8133 1.9734 1.9734 2.4289 2.4289 5.9113 5.9113 7.4850 7.4850 7.7087 7.7087 11.3980 11.3980 12.6568 12.6568 13.1207 13.1207 k = 0.3061 0.5302 0.4590 ( 2546 PWs) bands (ev): -27.2374 -27.2374 -10.0924 -10.0924 -8.9721 -8.9721 -8.9542 -8.9542 -6.6417 -6.6417 -6.5849 -6.5849 -6.5134 -6.5134 -6.5076 -6.5076 -6.1571 -6.1571 -6.1027 -6.1027 -6.0218 -6.0218 -5.9637 -5.9637 -5.9184 -5.9184 -5.8144 -5.8144 1.8974 1.8974 2.5123 2.5123 5.9277 5.9277 7.4316 7.4316 7.7434 7.7434 11.4363 11.4363 12.5684 12.5684 13.1775 13.1775 k = 0.2993 0.5184 0.4590 ( 2542 PWs) bands (ev): -27.2375 -27.2375 -10.0921 -10.0921 -8.9727 -8.9727 -8.9528 -8.9528 -6.6410 -6.6410 -6.5849 -6.5849 -6.5137 -6.5137 -6.5074 -6.5074 -6.1580 -6.1580 -6.1019 -6.1019 -6.0214 -6.0214 -5.9641 -5.9641 -5.9182 -5.9182 -5.8157 -5.8157 1.8212 1.8212 2.5988 2.5988 5.9485 5.9485 7.3716 7.3716 7.7804 7.7804 11.4842 11.4842 12.4791 12.4791 13.2289 13.2289 k = 0.2925 0.5067 0.4590 ( 2550 PWs) bands (ev): -27.2376 -27.2376 -10.0918 -10.0918 -8.9733 -8.9733 -8.9514 -8.9514 -6.6401 -6.6401 -6.5849 -6.5849 -6.5139 -6.5139 -6.5073 -6.5073 -6.1589 -6.1589 -6.1010 -6.1010 -6.0209 -6.0209 -5.9645 -5.9645 -5.9181 -5.9181 -5.8174 -5.8174 1.7448 1.7448 2.6883 2.6883 5.9734 5.9734 7.3057 7.3057 7.8194 7.8194 11.5409 11.5409 12.3892 12.3892 13.2709 13.2709 k = 0.2857 0.4949 0.4590 ( 2550 PWs) bands (ev): -27.2377 -27.2377 -10.0914 -10.0914 -8.9738 -8.9738 -8.9498 -8.9498 -6.6390 -6.6390 -6.5848 -6.5848 -6.5142 -6.5142 -6.5071 -6.5071 -6.1600 -6.1600 -6.1000 -6.1000 -6.0204 -6.0204 -5.9650 -5.9650 -5.9180 -5.9180 -5.8193 -5.8193 1.6686 1.6686 2.7810 2.7810 6.0023 6.0023 7.2347 7.2347 7.8606 7.8606 11.6054 11.6054 12.2990 12.2990 13.2548 13.2548 k = 0.2789 0.4831 0.4590 ( 2554 PWs) bands (ev): -27.2378 -27.2378 -10.0909 -10.0909 -8.9741 -8.9741 -8.9482 -8.9482 -6.6378 -6.6378 -6.5848 -6.5848 -6.5144 -6.5144 -6.5070 -6.5070 -6.1611 -6.1611 -6.0988 -6.0988 -6.0199 -6.0199 -5.9657 -5.9657 -5.9179 -5.9179 -5.8216 -5.8216 1.5927 1.5927 2.8768 2.8768 6.0351 6.0351 7.1592 7.1592 7.9038 7.9038 11.6766 11.6766 12.2089 12.2089 13.2113 13.2113 k = 0.2721 0.4713 0.4590 ( 2556 PWs) bands (ev): -27.2379 -27.2379 -10.0904 -10.0904 -8.9743 -8.9743 -8.9465 -8.9465 -6.6364 -6.6364 -6.5846 -6.5846 -6.5147 -6.5147 -6.5068 -6.5068 -6.1623 -6.1623 -6.0976 -6.0976 -6.0193 -6.0193 -5.9663 -5.9663 -5.9179 -5.9179 -5.8241 -5.8241 1.5173 1.5173 2.9756 2.9756 6.0716 6.0716 7.0799 7.0799 7.9492 7.9492 11.7532 11.7532 12.1193 12.1193 13.1620 13.1620 k = 0.2653 0.4595 0.4590 ( 2560 PWs) bands (ev): -27.2380 -27.2380 -10.0898 -10.0898 -8.9744 -8.9744 -8.9448 -8.9448 -6.6349 -6.6349 -6.5845 -6.5845 -6.5149 -6.5149 -6.5067 -6.5067 -6.1635 -6.1635 -6.0963 -6.0963 -6.0187 -6.0187 -5.9671 -5.9671 -5.9179 -5.9179 -5.8268 -5.8268 1.4426 1.4426 3.0775 3.0775 6.1116 6.1116 6.9975 6.9975 7.9967 7.9967 11.8339 11.8339 12.0303 12.0303 13.1088 13.1088 k = 0.2585 0.4477 0.4590 ( 2560 PWs) bands (ev): -27.2381 -27.2381 -10.0891 -10.0891 -8.9743 -8.9743 -8.9431 -8.9431 -6.6332 -6.6332 -6.5843 -6.5843 -6.5151 -6.5151 -6.5067 -6.5067 -6.1647 -6.1647 -6.0949 -6.0949 -6.0181 -6.0181 -5.9679 -5.9679 -5.9180 -5.9180 -5.8298 -5.8298 1.3688 1.3688 3.1825 3.1825 6.1552 6.1552 6.9125 6.9125 8.0464 8.0464 11.9171 11.9171 11.9423 11.9423 13.0529 13.0529 k = 0.2517 0.4360 0.4590 ( 2560 PWs) bands (ev): -27.2383 -27.2383 -10.0883 -10.0883 -8.9740 -8.9740 -8.9413 -8.9413 -6.6314 -6.6314 -6.5840 -6.5840 -6.5153 -6.5153 -6.5066 -6.5066 -6.1659 -6.1659 -6.0935 -6.0935 -6.0175 -6.0175 -5.9687 -5.9687 -5.9182 -5.9182 -5.8331 -5.8331 1.2961 1.2961 3.2905 3.2905 6.2020 6.2020 6.8254 6.8254 8.0983 8.0983 11.8551 11.8551 12.0013 12.0013 12.9951 12.9951 k = 0.2449 0.4242 0.4590 ( 2560 PWs) bands (ev): -27.2385 -27.2385 -10.0874 -10.0874 -8.9736 -8.9736 -8.9395 -8.9395 -6.6295 -6.6295 -6.5836 -6.5836 -6.5155 -6.5155 -6.5065 -6.5065 -6.1670 -6.1670 -6.0920 -6.0920 -6.0169 -6.0169 -5.9696 -5.9696 -5.9186 -5.9186 -5.8365 -5.8365 1.2244 1.2244 3.4017 3.4017 6.2521 6.2521 6.7368 6.7368 8.1525 8.1525 11.7693 11.7693 12.0841 12.0841 12.9364 12.9364 k = 0.2381 0.4124 0.4590 ( 2568 PWs) bands (ev): -27.2387 -27.2387 -10.0865 -10.0865 -8.9731 -8.9731 -8.9377 -8.9377 -6.6275 -6.6275 -6.5831 -6.5831 -6.5157 -6.5157 -6.5065 -6.5065 -6.1682 -6.1682 -6.0905 -6.0905 -6.0163 -6.0163 -5.9706 -5.9706 -5.9190 -5.9190 -5.8402 -5.8402 1.1541 1.1541 3.5159 3.5159 6.3053 6.3053 6.6471 6.6471 8.2090 8.2090 11.6849 11.6849 12.1630 12.1630 12.8777 12.8777 k = 0.2313 0.4006 0.4590 ( 2560 PWs) bands (ev): -27.2389 -27.2389 -10.0855 -10.0855 -8.9725 -8.9725 -8.9358 -8.9358 -6.6254 -6.6254 -6.5826 -6.5826 -6.5158 -6.5158 -6.5065 -6.5065 -6.1693 -6.1693 -6.0889 -6.0889 -6.0158 -6.0158 -5.9715 -5.9715 -5.9195 -5.9195 -5.8440 -5.8440 1.0851 1.0851 3.6332 3.6332 6.3615 6.3615 6.5567 6.5567 8.2677 8.2677 11.6021 11.6021 12.2348 12.2348 12.8205 12.8205 k = 0.2245 0.3888 0.4590 ( 2556 PWs) bands (ev): -27.2391 -27.2391 -10.0844 -10.0844 -8.9718 -8.9718 -8.9338 -8.9338 -6.6232 -6.6232 -6.5819 -6.5819 -6.5160 -6.5160 -6.5064 -6.5064 -6.1703 -6.1703 -6.0873 -6.0873 -6.0154 -6.0154 -5.9725 -5.9725 -5.9202 -5.9202 -5.8480 -5.8480 1.0176 1.0176 3.7535 3.7535 6.4206 6.4206 6.4660 6.4660 8.3288 8.3288 11.5209 11.5209 12.2956 12.2956 12.7670 12.7670 k = 0.2177 0.3770 0.4590 ( 2560 PWs) bands (ev): -27.2393 -27.2393 -10.0833 -10.0833 -8.9710 -8.9710 -8.9318 -8.9318 -6.6210 -6.6210 -6.5812 -6.5812 -6.5161 -6.5161 -6.5064 -6.5064 -6.1712 -6.1712 -6.0857 -6.0857 -6.0150 -6.0150 -5.9735 -5.9735 -5.9210 -5.9210 -5.8522 -5.8522 0.9516 0.9516 3.8769 3.8769 6.3754 6.3754 6.4826 6.4826 8.3923 8.3923 11.4415 11.4415 12.3399 12.3399 12.7202 12.7202 k = 0.2109 0.3653 0.4590 ( 2564 PWs) bands (ev): -27.2396 -27.2396 -10.0821 -10.0821 -8.9701 -8.9701 -8.9297 -8.9297 -6.6187 -6.6187 -6.5803 -6.5803 -6.5163 -6.5163 -6.5064 -6.5064 -6.1721 -6.1721 -6.0841 -6.0841 -6.0147 -6.0147 -5.9746 -5.9746 -5.9219 -5.9219 -5.8565 -5.8565 0.8873 0.8873 4.0033 4.0033 6.2851 6.2851 6.5473 6.5473 8.4582 8.4582 11.3640 11.3640 12.3617 12.3617 12.6846 12.6846 k = 0.2041 0.3535 0.4590 ( 2564 PWs) bands (ev): -27.2398 -27.2398 -10.0809 -10.0809 -8.9691 -8.9691 -8.9276 -8.9276 -6.6163 -6.6163 -6.5793 -6.5793 -6.5164 -6.5164 -6.5064 -6.5064 -6.1729 -6.1729 -6.0825 -6.0825 -6.0145 -6.0145 -5.9756 -5.9756 -5.9230 -5.9230 -5.8609 -5.8609 0.8247 0.8247 4.1328 4.1328 6.1955 6.1955 6.6147 6.6147 8.5265 8.5265 11.2884 11.2884 12.3572 12.3572 12.6627 12.6627 k = 0.1973 0.3417 0.4590 ( 2560 PWs) bands (ev): -27.2401 -27.2401 -10.0796 -10.0796 -8.9682 -8.9682 -8.9253 -8.9253 -6.6139 -6.6139 -6.5782 -6.5782 -6.5165 -6.5165 -6.5063 -6.5063 -6.1736 -6.1736 -6.0808 -6.0808 -6.0145 -6.0145 -5.9766 -5.9766 -5.9242 -5.9242 -5.8653 -5.8653 0.7639 0.7639 4.2653 4.2653 6.1068 6.1068 6.6847 6.6847 8.5973 8.5973 11.2148 11.2148 12.3292 12.3292 12.6511 12.6511 k = 0.1905 0.3299 0.4590 ( 2554 PWs) bands (ev): -27.2403 -27.2403 -10.0783 -10.0783 -8.9671 -8.9671 -8.9230 -8.9230 -6.6115 -6.6115 -6.5770 -6.5770 -6.5166 -6.5166 -6.5062 -6.5062 -6.1742 -6.1742 -6.0791 -6.0791 -6.0146 -6.0146 -5.9776 -5.9776 -5.9255 -5.9255 -5.8697 -5.8697 0.7049 0.7049 4.4008 4.4008 6.0193 6.0193 6.7572 6.7572 8.6705 8.6705 11.1434 11.1434 12.2854 12.2854 12.6426 12.6426 k = 0.1837 0.3181 0.4590 ( 2558 PWs) bands (ev): -27.2406 -27.2406 -10.0769 -10.0769 -8.9661 -8.9661 -8.9206 -8.9206 -6.6092 -6.6092 -6.5757 -6.5757 -6.5167 -6.5167 -6.5061 -6.5061 -6.1746 -6.1746 -6.0775 -6.0775 -6.0149 -6.0149 -5.9786 -5.9786 -5.9271 -5.9271 -5.8742 -5.8742 0.6478 0.6478 4.5393 4.5393 5.9331 5.9331 6.8321 6.8321 8.7461 8.7461 11.0740 11.0740 12.2325 12.2325 12.6314 12.6314 k = 0.1769 0.3063 0.4590 ( 2556 PWs) bands (ev): -27.2409 -27.2409 -10.0755 -10.0755 -8.9651 -8.9651 -8.9181 -8.9181 -6.6068 -6.6068 -6.5743 -6.5743 -6.5168 -6.5168 -6.5059 -6.5059 -6.1750 -6.1750 -6.0759 -6.0759 -6.0154 -6.0154 -5.9796 -5.9796 -5.9287 -5.9287 -5.8786 -5.8786 0.5925 0.5925 4.6808 4.6808 5.8486 5.8486 6.9094 6.9094 8.8242 8.8242 11.0069 11.0069 12.1747 12.1747 12.6125 12.6125 k = 0.1701 0.2946 0.4590 ( 2564 PWs) bands (ev): -27.2412 -27.2412 -10.0741 -10.0741 -8.9641 -8.9641 -8.9154 -8.9154 -6.6045 -6.6045 -6.5728 -6.5728 -6.5170 -6.5170 -6.5058 -6.5058 -6.1753 -6.1753 -6.0743 -6.0743 -6.0162 -6.0162 -5.9805 -5.9805 -5.9304 -5.9304 -5.8830 -5.8830 0.5393 0.5393 4.8252 4.8252 5.7657 5.7657 6.9889 6.9889 8.9047 8.9047 10.9419 10.9419 12.1145 12.1145 12.5507 12.5507 k = 0.1633 0.2828 0.4590 ( 2564 PWs) bands (ev): -27.2415 -27.2415 -10.0726 -10.0726 -8.9632 -8.9632 -8.9127 -8.9127 -6.6022 -6.6022 -6.5713 -6.5713 -6.5171 -6.5171 -6.5055 -6.5055 -6.1754 -6.1754 -6.0727 -6.0727 -6.0172 -6.0172 -5.9813 -5.9813 -5.9322 -5.9322 -5.8873 -5.8873 0.4880 0.4880 4.9726 4.9726 5.6849 5.6849 7.0705 7.0705 8.9877 8.9877 10.8792 10.8792 12.0531 12.0531 12.4510 12.4510 k = 0.1565 0.2710 0.4590 ( 2572 PWs) bands (ev): -27.2418 -27.2418 -10.0712 -10.0712 -8.9622 -8.9622 -8.9099 -8.9099 -6.6000 -6.6000 -6.5697 -6.5697 -6.5172 -6.5172 -6.5052 -6.5052 -6.1755 -6.1755 -6.0711 -6.0711 -6.0186 -6.0186 -5.9821 -5.9821 -5.9341 -5.9341 -5.8915 -5.8915 0.4387 0.4387 5.1229 5.1229 5.6062 5.6062 7.1542 7.1542 9.0732 9.0732 10.8188 10.8188 11.9914 11.9914 12.3489 12.3489 k = 0.1497 0.2592 0.4590 ( 2576 PWs) bands (ev): -27.2421 -27.2421 -10.0698 -10.0698 -8.9614 -8.9614 -8.9070 -8.9070 -6.5978 -6.5978 -6.5681 -6.5681 -6.5173 -6.5173 -6.5048 -6.5048 -6.1753 -6.1753 -6.0696 -6.0696 -6.0203 -6.0203 -5.9828 -5.9828 -5.9361 -5.9361 -5.8956 -5.8956 0.3914 0.3914 5.2760 5.2760 5.5298 5.5298 7.2399 7.2399 9.1610 9.1610 10.7607 10.7607 11.9301 11.9301 12.2467 12.2467 k = 0.1429 0.2474 0.4590 ( 2572 PWs) bands (ev): -27.2424 -27.2424 -10.0683 -10.0683 -8.9606 -8.9606 -8.9041 -8.9041 -6.5956 -6.5956 -6.5664 -6.5664 -6.5174 -6.5174 -6.5042 -6.5042 -6.1751 -6.1751 -6.0681 -6.0681 -6.0223 -6.0223 -5.9833 -5.9833 -5.9380 -5.9380 -5.8995 -5.8995 0.3462 0.3462 5.4297 5.4297 5.4581 5.4581 7.3275 7.3275 9.2512 9.2512 10.7049 10.7049 11.8696 11.8696 12.1447 12.1447 k = 0.1361 0.2357 0.4590 ( 2578 PWs) bands (ev): -27.2427 -27.2427 -10.0669 -10.0669 -8.9598 -8.9598 -8.9011 -8.9011 -6.5936 -6.5936 -6.5648 -6.5648 -6.5176 -6.5176 -6.5036 -6.5036 -6.1747 -6.1747 -6.0667 -6.0667 -6.0246 -6.0246 -5.9838 -5.9838 -5.9400 -5.9400 -5.9033 -5.9033 0.3031 0.3031 5.3836 5.3836 5.5917 5.5917 7.4167 7.4167 9.3438 9.3438 10.6513 10.6513 11.8101 11.8101 12.0430 12.0430 k = 0.1293 0.2239 0.4590 ( 2582 PWs) bands (ev): -27.2430 -27.2430 -10.0655 -10.0655 -8.9591 -8.9591 -8.8980 -8.8980 -6.5915 -6.5915 -6.5632 -6.5632 -6.5178 -6.5178 -6.5028 -6.5028 -6.1742 -6.1742 -6.0653 -6.0653 -6.0274 -6.0274 -5.9841 -5.9841 -5.9419 -5.9419 -5.9069 -5.9069 0.2620 0.2620 5.3149 5.3149 5.7533 5.7533 7.5076 7.5076 9.4386 9.4386 10.6002 10.6002 11.7521 11.7521 11.9417 11.9417 k = 0.1224 0.2121 0.4590 ( 2582 PWs) bands (ev): -27.2433 -27.2433 -10.0642 -10.0642 -8.9585 -8.9585 -8.8950 -8.8950 -6.5895 -6.5895 -6.5617 -6.5617 -6.5180 -6.5180 -6.5019 -6.5019 -6.1735 -6.1735 -6.0640 -6.0640 -6.0305 -6.0305 -5.9844 -5.9844 -5.9438 -5.9438 -5.9104 -5.9104 0.2230 0.2230 5.2489 5.2489 5.9178 5.9178 7.5999 7.5999 9.5356 9.5356 10.5513 10.5513 11.6957 11.6957 11.8406 11.8406 k = 0.1156 0.2003 0.4590 ( 2586 PWs) bands (ev): -27.2436 -27.2436 -10.0628 -10.0628 -8.9579 -8.9579 -8.8919 -8.8919 -6.5876 -6.5876 -6.5602 -6.5602 -6.5183 -6.5183 -6.5008 -6.5008 -6.1727 -6.1727 -6.0627 -6.0627 -6.0339 -6.0339 -5.9846 -5.9846 -5.9456 -5.9456 -5.9136 -5.9136 0.1861 0.1861 5.1857 5.1857 6.0851 6.0851 7.6935 7.6935 9.6347 9.6347 10.5046 10.5046 11.6412 11.6412 11.7400 11.7400 k = 0.1088 0.1885 0.4590 ( 2584 PWs) bands (ev): -27.2439 -27.2439 -10.0615 -10.0615 -8.9574 -8.9574 -8.8888 -8.8888 -6.5857 -6.5857 -6.5588 -6.5588 -6.5185 -6.5185 -6.4996 -6.4996 -6.1717 -6.1717 -6.0615 -6.0615 -6.0376 -6.0376 -5.9847 -5.9847 -5.9473 -5.9473 -5.9167 -5.9167 0.1513 0.1513 5.1256 5.1256 6.2550 6.2550 7.7882 7.7882 9.7358 9.7358 10.4603 10.4603 11.5886 11.5886 11.6398 11.6398 k = 0.1020 0.1767 0.4590 ( 2584 PWs) bands (ev): -27.2441 -27.2441 -10.0603 -10.0603 -8.9570 -8.9570 -8.8858 -8.8858 -6.5839 -6.5839 -6.5576 -6.5576 -6.5188 -6.5188 -6.4983 -6.4983 -6.1705 -6.1705 -6.0604 -6.0604 -6.0415 -6.0415 -5.9847 -5.9847 -5.9489 -5.9489 -5.9197 -5.9197 0.1186 0.1186 5.0686 5.0686 6.4277 6.4277 7.8839 7.8839 9.8387 9.8387 10.4181 10.4181 11.5342 11.5342 11.5442 11.5442 k = 0.0952 0.1650 0.4590 ( 2580 PWs) bands (ev): -27.2444 -27.2444 -10.0591 -10.0591 -8.9566 -8.9566 -8.8829 -8.8829 -6.5821 -6.5821 -6.5564 -6.5564 -6.5191 -6.5191 -6.4970 -6.4970 -6.1692 -6.1692 -6.0594 -6.0594 -6.0457 -6.0457 -5.9847 -5.9847 -5.9503 -5.9503 -5.9224 -5.9224 0.0881 0.0881 5.0147 5.0147 6.6028 6.6028 7.9802 7.9802 9.9432 9.9432 10.3779 10.3779 11.4394 11.4394 11.4920 11.4920 k = 0.0884 0.1532 0.4590 ( 2580 PWs) bands (ev): -27.2446 -27.2446 -10.0580 -10.0580 -8.9562 -8.9562 -8.8800 -8.8800 -6.5804 -6.5804 -6.5554 -6.5554 -6.5194 -6.5194 -6.4955 -6.4955 -6.1678 -6.1678 -6.0586 -6.0586 -6.0499 -6.0499 -5.9846 -5.9846 -5.9516 -5.9516 -5.9250 -5.9250 0.0596 0.0596 4.9642 4.9642 6.7805 6.7805 8.0769 8.0769 10.0492 10.0492 10.3397 10.3397 11.3408 11.3408 11.4468 11.4468 k = 0.0816 0.1414 0.4590 ( 2572 PWs) bands (ev): -27.2449 -27.2449 -10.0569 -10.0569 -8.9559 -8.9559 -8.8773 -8.8773 -6.5788 -6.5788 -6.5544 -6.5544 -6.5197 -6.5197 -6.4940 -6.4940 -6.1662 -6.1662 -6.0583 -6.0583 -6.0537 -6.0537 -5.9846 -5.9846 -5.9528 -5.9528 -5.9275 -5.9275 0.0333 0.0333 4.9171 4.9171 6.9605 6.9605 8.1736 8.1736 10.1562 10.1562 10.3033 10.3033 11.2428 11.2428 11.4046 11.4046 k = 0.0748 0.1296 0.4590 ( 2564 PWs) bands (ev): -27.2451 -27.2451 -10.0559 -10.0559 -8.9556 -8.9556 -8.8746 -8.8746 -6.5773 -6.5773 -6.5536 -6.5536 -6.5200 -6.5200 -6.4925 -6.4925 -6.1644 -6.1644 -6.0605 -6.0605 -6.0553 -6.0553 -5.9845 -5.9845 -5.9538 -5.9538 -5.9297 -5.9297 0.0090 0.0090 4.8735 4.8735 7.1428 7.1428 8.2699 8.2699 10.2615 10.2615 10.2707 10.2707 11.1459 11.1459 11.3653 11.3653 k = 0.0680 0.1178 0.4590 ( 2564 PWs) bands (ev): -27.2453 -27.2453 -10.0550 -10.0550 -8.9554 -8.9554 -8.8722 -8.8722 -6.5758 -6.5758 -6.5529 -6.5529 -6.5204 -6.5204 -6.4910 -6.4910 -6.1625 -6.1625 -6.0647 -6.0647 -6.0550 -6.0550 -5.9844 -5.9844 -5.9546 -5.9546 -5.9318 -5.9318 -0.0131 -0.0131 4.8334 4.8334 7.3271 7.3271 8.3654 8.3654 10.2338 10.2338 10.3723 10.3723 11.0504 11.0504 11.3291 11.3291 k = 0.0612 0.1060 0.4590 ( 2572 PWs) bands (ev): -27.2455 -27.2455 -10.0542 -10.0542 -8.9552 -8.9552 -8.8699 -8.8699 -6.5746 -6.5746 -6.5523 -6.5523 -6.5207 -6.5207 -6.4896 -6.4896 -6.1606 -6.1606 -6.0692 -6.0692 -6.0544 -6.0544 -5.9844 -5.9844 -5.9554 -5.9554 -5.9338 -5.9338 -0.0331 -0.0331 4.7969 4.7969 7.5133 7.5133 8.4595 8.4595 10.2000 10.2000 10.4798 10.4798 10.9569 10.9569 11.2960 11.2960 k = 0.0544 0.0943 0.4590 ( 2572 PWs) bands (ev): -27.2457 -27.2457 -10.0534 -10.0534 -8.9550 -8.9550 -8.8678 -8.8678 -6.5733 -6.5733 -6.5517 -6.5517 -6.5210 -6.5210 -6.4882 -6.4882 -6.1585 -6.1585 -6.0737 -6.0737 -6.0539 -6.0539 -5.9843 -5.9843 -5.9560 -5.9560 -5.9355 -5.9355 -0.0510 -0.0510 4.7641 4.7641 7.7010 7.7010 8.5513 8.5513 10.1650 10.1650 10.5859 10.5859 10.8663 10.8663 11.2660 11.2660 k = 0.0476 0.0825 0.4590 ( 2576 PWs) bands (ev): -27.2458 -27.2458 -10.0527 -10.0527 -8.9549 -8.9549 -8.8658 -8.8658 -6.5723 -6.5723 -6.5513 -6.5513 -6.5213 -6.5213 -6.4869 -6.4869 -6.1564 -6.1564 -6.0782 -6.0782 -6.0534 -6.0534 -5.9843 -5.9843 -5.9565 -5.9565 -5.9372 -5.9372 -0.0667 -0.0667 4.7350 4.7350 7.8897 7.8897 8.6399 8.6399 10.1270 10.1270 10.6880 10.6880 10.7806 10.7806 11.1470 11.1470 k = 0.0408 0.0707 0.4590 ( 2572 PWs) bands (ev): -27.2460 -27.2460 -10.0521 -10.0521 -8.9548 -8.9548 -8.8642 -8.8642 -6.5713 -6.5713 -6.5509 -6.5509 -6.5215 -6.5215 -6.4857 -6.4857 -6.1542 -6.1542 -6.0823 -6.0823 -6.0529 -6.0529 -5.9843 -5.9843 -5.9568 -5.9568 -5.9386 -5.9386 -0.0804 -0.0804 4.7097 4.7097 8.0788 8.0788 8.7241 8.7241 10.0826 10.0826 10.6928 10.6928 10.7923 10.7923 10.9571 10.9571 k = 0.0340 0.0589 0.4590 ( 2564 PWs) bands (ev): -27.2461 -27.2461 -10.0516 -10.0516 -8.9547 -8.9547 -8.8627 -8.8627 -6.5704 -6.5704 -6.5506 -6.5506 -6.5218 -6.5218 -6.4847 -6.4847 -6.1520 -6.1520 -6.0862 -6.0862 -6.0525 -6.0525 -5.9843 -5.9843 -5.9571 -5.9571 -5.9398 -5.9398 -0.0920 -0.0920 4.6882 4.6882 8.2672 8.2672 8.8025 8.8025 10.0265 10.0265 10.6177 10.6177 10.7823 10.7823 10.8879 10.8879 k = 0.0272 0.0471 0.4590 ( 2564 PWs) bands (ev): -27.2462 -27.2462 -10.0512 -10.0512 -8.9546 -8.9546 -8.8615 -8.8615 -6.5697 -6.5697 -6.5503 -6.5503 -6.5220 -6.5220 -6.4839 -6.4839 -6.1500 -6.1500 -6.0897 -6.0897 -6.0521 -6.0521 -5.9843 -5.9843 -5.9572 -5.9572 -5.9408 -5.9408 -0.1014 -0.1014 4.6706 4.6706 8.4526 8.4526 8.8734 8.8734 9.9516 9.9516 10.5491 10.5491 10.6400 10.6400 10.9715 10.9715 k = 0.0204 0.0353 0.4590 ( 2578 PWs) bands (ev): -27.2462 -27.2462 -10.0509 -10.0509 -8.9545 -8.9545 -8.8606 -8.8606 -6.5692 -6.5692 -6.5501 -6.5501 -6.5222 -6.5222 -6.4832 -6.4832 -6.1482 -6.1482 -6.0927 -6.0927 -6.0519 -6.0519 -5.9844 -5.9844 -5.9574 -5.9574 -5.9416 -5.9416 -0.1088 -0.1088 4.6568 4.6568 8.6307 8.6307 8.9356 8.9356 9.8533 9.8533 10.4887 10.4887 10.5345 10.5345 11.0436 11.0436 k = 0.0136 0.0236 0.4590 ( 2570 PWs) bands (ev): -27.2463 -27.2463 -10.0506 -10.0506 -8.9545 -8.9545 -8.8599 -8.8599 -6.5688 -6.5688 -6.5500 -6.5500 -6.5223 -6.5223 -6.4827 -6.4827 -6.1468 -6.1468 -6.0950 -6.0950 -6.0517 -6.0517 -5.9844 -5.9844 -5.9574 -5.9574 -5.9421 -5.9421 -0.1141 -0.1141 4.6470 4.6470 8.7903 8.7903 8.9902 8.9902 9.7370 9.7370 10.4374 10.4374 10.4707 10.4707 11.0982 11.0982 k = 0.0068 0.0118 0.4590 ( 2574 PWs) bands (ev): -27.2463 -27.2463 -10.0505 -10.0505 -8.9545 -8.9545 -8.8595 -8.8595 -6.5685 -6.5685 -6.5499 -6.5499 -6.5224 -6.5224 -6.4824 -6.4824 -6.1459 -6.1459 -6.0965 -6.0965 -6.0516 -6.0516 -5.9844 -5.9844 -5.9575 -5.9575 -5.9425 -5.9425 -0.1172 -0.1172 4.6411 4.6411 8.9025 8.9025 9.0448 9.0448 9.6265 9.6265 10.4031 10.4031 10.4384 10.4384 11.1282 11.1282 k = 0.0000 0.0000 0.4590 ( 2574 PWs) bands (ev): -27.2463 -27.2463 -10.0505 -10.0505 -8.9545 -8.9545 -8.8593 -8.8593 -6.5684 -6.5684 -6.5499 -6.5499 -6.5224 -6.5224 -6.4823 -6.4823 -6.1456 -6.1456 -6.0970 -6.0970 -6.0515 -6.0515 -5.9845 -5.9845 -5.9575 -5.9575 -5.9426 -5.9426 -0.1183 -0.1183 4.6391 4.6391 8.9382 8.9382 9.0790 9.0790 9.5747 9.5747 10.3916 10.3916 10.4283 10.4283 11.1350 11.1350 k = 0.5000 0.2887 0.4590 ( 2576 PWs) bands (ev): -27.2383 -27.2383 -10.0890 -10.0890 -8.9895 -8.9895 -8.9234 -8.9234 -6.6090 -6.6090 -6.6041 -6.6041 -6.5240 -6.5240 -6.4998 -6.4998 -6.1769 -6.1769 -6.0916 -6.0916 -6.0033 -6.0033 -5.9740 -5.9740 -5.8850 -5.8850 -5.8682 -5.8682 1.3139 1.3139 3.1204 3.1204 6.8732 6.8732 7.2870 7.2870 7.3598 7.3598 10.1353 10.1353 12.4869 12.4869 13.7093 13.7093 k = 0.5000 0.2887 0.4455 ( 2580 PWs) bands (ev): -27.2384 -27.2384 -10.0890 -10.0890 -8.9895 -8.9895 -8.9234 -8.9234 -6.6091 -6.6091 -6.6041 -6.6041 -6.5240 -6.5240 -6.4999 -6.4999 -6.1769 -6.1769 -6.0917 -6.0917 -6.0033 -6.0033 -5.9741 -5.9741 -5.8850 -5.8850 -5.8682 -5.8682 1.3142 1.3142 3.1187 3.1187 6.8740 6.8740 7.2878 7.2878 7.3637 7.3637 10.1294 10.1294 12.4953 12.4953 13.7070 13.7070 k = 0.5000 0.2887 0.4320 ( 2580 PWs) bands (ev): -27.2384 -27.2384 -10.0890 -10.0890 -8.9894 -8.9894 -8.9233 -8.9233 -6.6090 -6.6090 -6.6042 -6.6042 -6.5239 -6.5239 -6.4999 -6.4999 -6.1768 -6.1768 -6.0917 -6.0917 -6.0034 -6.0034 -5.9741 -5.9741 -5.8850 -5.8850 -5.8682 -5.8682 1.3149 1.3149 3.1137 3.1137 6.8765 6.8765 7.2904 7.2904 7.3755 7.3755 10.1120 10.1120 12.5203 12.5203 13.7002 13.7002 k = 0.5000 0.2887 0.4185 ( 2584 PWs) bands (ev): -27.2384 -27.2384 -10.0889 -10.0889 -8.9894 -8.9894 -8.9231 -8.9231 -6.6091 -6.6091 -6.6042 -6.6042 -6.5239 -6.5239 -6.5000 -6.5000 -6.1768 -6.1768 -6.0917 -6.0917 -6.0034 -6.0034 -5.9741 -5.9741 -5.8849 -5.8849 -5.8682 -5.8682 1.3160 1.3160 3.1055 3.1055 6.8806 6.8806 7.2947 7.2947 7.3950 7.3950 10.0839 10.0839 12.5608 12.5608 13.6888 13.6888 k = 0.5000 0.2887 0.4050 ( 2578 PWs) bands (ev): -27.2384 -27.2384 -10.0888 -10.0888 -8.9893 -8.9893 -8.9229 -8.9229 -6.6091 -6.6091 -6.6043 -6.6043 -6.5238 -6.5238 -6.5001 -6.5001 -6.1767 -6.1767 -6.0917 -6.0917 -6.0035 -6.0035 -5.9741 -5.9741 -5.8849 -5.8849 -5.8683 -5.8683 1.3176 1.3176 3.0942 3.0942 6.8863 6.8863 7.3007 7.3007 7.4221 7.4221 10.0465 10.0465 12.6155 12.6155 13.6726 13.6726 k = 0.5000 0.2887 0.3915 ( 2572 PWs) bands (ev): -27.2384 -27.2384 -10.0886 -10.0886 -8.9891 -8.9891 -8.9226 -8.9226 -6.6091 -6.6091 -6.6043 -6.6043 -6.5237 -6.5237 -6.5003 -6.5003 -6.1765 -6.1765 -6.0918 -6.0918 -6.0036 -6.0036 -5.9741 -5.9741 -5.8849 -5.8849 -5.8683 -5.8683 1.3196 1.3196 3.0800 3.0800 6.8936 6.8936 7.3084 7.3084 7.4566 7.4566 10.0013 10.0013 12.6824 12.6824 13.6516 13.6516 k = 0.5000 0.2887 0.3780 ( 2568 PWs) bands (ev): -27.2384 -27.2384 -10.0884 -10.0884 -8.9890 -8.9890 -8.9222 -8.9222 -6.6090 -6.6090 -6.6044 -6.6044 -6.5235 -6.5235 -6.5005 -6.5005 -6.1764 -6.1764 -6.0918 -6.0918 -6.0037 -6.0037 -5.9741 -5.9741 -5.8848 -5.8848 -5.8683 -5.8683 1.3220 1.3220 3.0630 3.0630 6.9024 6.9024 7.3177 7.3177 7.4981 7.4981 9.9499 9.9499 12.7595 12.7595 13.6257 13.6257 k = 0.5000 0.2887 0.3645 ( 2568 PWs) bands (ev): -27.2385 -27.2385 -10.0882 -10.0882 -8.9888 -8.9888 -8.9217 -8.9217 -6.6090 -6.6090 -6.6046 -6.6046 -6.5234 -6.5234 -6.5008 -6.5008 -6.1762 -6.1762 -6.0919 -6.0919 -6.0038 -6.0038 -5.9741 -5.9741 -5.8848 -5.8848 -5.8683 -5.8683 1.3249 1.3249 3.0436 3.0436 6.9128 6.9128 7.3287 7.3287 7.5465 7.5465 9.8939 9.8939 12.8446 12.8446 13.5948 13.5948 k = 0.5000 0.2887 0.3510 ( 2564 PWs) bands (ev): -27.2385 -27.2385 -10.0879 -10.0879 -8.9886 -8.9886 -8.9212 -8.9212 -6.6090 -6.6090 -6.6047 -6.6047 -6.5232 -6.5232 -6.5011 -6.5011 -6.1759 -6.1759 -6.0920 -6.0920 -6.0040 -6.0040 -5.9740 -5.9740 -5.8847 -5.8847 -5.8684 -5.8684 1.3280 1.3280 3.0219 3.0219 6.9245 6.9245 7.3412 7.3412 7.6011 7.6011 9.8348 9.8348 12.9354 12.9354 13.5582 13.5582 k = 0.5000 0.2887 0.3375 ( 2566 PWs) bands (ev): -27.2386 -27.2386 -10.0877 -10.0877 -8.9884 -8.9884 -8.9206 -8.9206 -6.6090 -6.6090 -6.6049 -6.6049 -6.5229 -6.5229 -6.5014 -6.5014 -6.1757 -6.1757 -6.0922 -6.0922 -6.0042 -6.0042 -5.9740 -5.9740 -5.8847 -5.8847 -5.8684 -5.8684 1.3316 1.3316 2.9983 2.9983 6.9376 6.9376 7.3552 7.3552 7.6617 7.6617 9.7740 9.7740 13.0292 13.0292 13.4772 13.4772 k = 0.5000 0.2887 0.3240 ( 2564 PWs) bands (ev): -27.2386 -27.2386 -10.0874 -10.0874 -8.9882 -8.9882 -8.9200 -8.9200 -6.6090 -6.6090 -6.6050 -6.6050 -6.5227 -6.5227 -6.5018 -6.5018 -6.1754 -6.1754 -6.0923 -6.0923 -6.0044 -6.0044 -5.9740 -5.9740 -5.8846 -5.8846 -5.8685 -5.8685 1.3354 1.3354 2.9731 2.9731 6.9519 6.9519 7.3707 7.3707 7.7277 7.7277 9.7128 9.7128 13.1229 13.1229 13.3771 13.3771 k = 0.5000 0.2887 0.3105 ( 2570 PWs) bands (ev): -27.2387 -27.2387 -10.0871 -10.0871 -8.9880 -8.9880 -8.9193 -8.9193 -6.6090 -6.6090 -6.6052 -6.6052 -6.5225 -6.5225 -6.5022 -6.5022 -6.1751 -6.1751 -6.0925 -6.0925 -6.0047 -6.0047 -5.9740 -5.9740 -5.8845 -5.8845 -5.8685 -5.8685 1.3395 1.3395 2.9465 2.9465 6.9674 6.9674 7.3876 7.3876 7.7985 7.7985 9.6524 9.6524 13.2123 13.2123 13.2790 13.2790 k = 0.5000 0.2887 0.2970 ( 2570 PWs) bands (ev): -27.2387 -27.2387 -10.0867 -10.0867 -8.9878 -8.9878 -8.9185 -8.9185 -6.6090 -6.6090 -6.6054 -6.6054 -6.5222 -6.5222 -6.5026 -6.5026 -6.1748 -6.1748 -6.0926 -6.0926 -6.0049 -6.0049 -5.9740 -5.9740 -5.8845 -5.8845 -5.8686 -5.8686 1.3439 1.3439 2.9188 2.9188 6.9840 6.9840 7.4058 7.4058 7.8734 7.8734 9.5940 9.5940 13.1830 13.1830 13.2893 13.2893 k = 0.5000 0.2887 0.2835 ( 2570 PWs) bands (ev): -27.2388 -27.2388 -10.0864 -10.0864 -8.9877 -8.9877 -8.9176 -8.9176 -6.6090 -6.6090 -6.6056 -6.6056 -6.5220 -6.5220 -6.5030 -6.5030 -6.1745 -6.1745 -6.0928 -6.0928 -6.0051 -6.0051 -5.9739 -5.9739 -5.8844 -5.8844 -5.8687 -5.8687 1.3485 1.3485 2.8904 2.8904 7.0016 7.0016 7.4251 7.4251 7.9516 7.9516 9.5387 9.5387 13.0895 13.0895 13.2956 13.2956 k = 0.5000 0.2887 0.2700 ( 2570 PWs) bands (ev): -27.2388 -27.2388 -10.0860 -10.0860 -8.9875 -8.9875 -8.9168 -8.9168 -6.6089 -6.6089 -6.6058 -6.6058 -6.5217 -6.5217 -6.5035 -6.5035 -6.1741 -6.1741 -6.0930 -6.0930 -6.0054 -6.0054 -5.9739 -5.9739 -5.8843 -5.8843 -5.8688 -5.8688 1.3532 1.3532 2.8615 2.8615 7.0200 7.0200 7.4455 7.4455 8.0319 8.0319 9.4879 9.4879 12.9986 12.9986 13.2389 13.2389 k = 0.5000 0.2887 0.2565 ( 2574 PWs) bands (ev): -27.2389 -27.2389 -10.0857 -10.0857 -8.9873 -8.9873 -8.9158 -8.9158 -6.6089 -6.6089 -6.6061 -6.6061 -6.5214 -6.5214 -6.5039 -6.5039 -6.1738 -6.1738 -6.0931 -6.0931 -6.0057 -6.0057 -5.9739 -5.9739 -5.8842 -5.8842 -5.8689 -5.8689 1.3581 1.3581 2.8324 2.8324 7.0391 7.0391 7.4670 7.4670 8.1131 8.1131 9.4430 9.4430 12.9103 12.9103 13.1742 13.1742 k = 0.5000 0.2887 0.2430 ( 2570 PWs) bands (ev): -27.2389 -27.2389 -10.0853 -10.0853 -8.9872 -8.9872 -8.9149 -8.9149 -6.6089 -6.6089 -6.6063 -6.6063 -6.5211 -6.5211 -6.5044 -6.5044 -6.1734 -6.1734 -6.0933 -6.0933 -6.0059 -6.0059 -5.9739 -5.9739 -5.8841 -5.8841 -5.8689 -5.8689 1.3630 1.3630 2.8034 2.8034 7.0588 7.0588 7.4892 7.4892 8.1933 8.1933 9.4060 9.4060 12.8250 12.8250 13.1061 13.1061 k = 0.5000 0.2887 0.2295 ( 2570 PWs) bands (ev): -27.2390 -27.2390 -10.0849 -10.0849 -8.9871 -8.9871 -8.9139 -8.9139 -6.6089 -6.6089 -6.6065 -6.6065 -6.5208 -6.5208 -6.5048 -6.5048 -6.1730 -6.1730 -6.0935 -6.0935 -6.0062 -6.0062 -5.9739 -5.9739 -5.8840 -5.8840 -5.8690 -5.8690 1.3680 1.3680 2.7746 2.7746 7.0790 7.0790 7.5121 7.5121 8.2703 8.2703 9.3792 9.3792 12.7427 12.7427 13.0359 13.0359 k = 0.5000 0.2887 0.2160 ( 2572 PWs) bands (ev): -27.2391 -27.2391 -10.0846 -10.0846 -8.9869 -8.9869 -8.9128 -8.9128 -6.6089 -6.6089 -6.6067 -6.6067 -6.5206 -6.5206 -6.5053 -6.5053 -6.1727 -6.1727 -6.0937 -6.0937 -6.0065 -6.0065 -5.9739 -5.9739 -5.8839 -5.8839 -5.8691 -5.8691 1.3730 1.3730 2.7463 2.7463 7.0993 7.0993 7.5356 7.5356 8.3414 8.3414 9.3653 9.3653 12.6636 12.6636 12.9643 12.9643 k = 0.5000 0.2887 0.2025 ( 2576 PWs) bands (ev): -27.2391 -27.2391 -10.0842 -10.0842 -8.9868 -8.9868 -8.9118 -8.9118 -6.6088 -6.6088 -6.6069 -6.6069 -6.5203 -6.5203 -6.5058 -6.5058 -6.1723 -6.1723 -6.0939 -6.0939 -6.0068 -6.0068 -5.9738 -5.9738 -5.8839 -5.8839 -5.8692 -5.8692 1.3779 1.3779 2.7187 2.7187 7.1198 7.1198 7.5593 7.5593 8.4033 8.4033 9.3675 9.3675 12.5879 12.5879 12.8923 12.8923 k = 0.5000 0.2887 0.1890 ( 2568 PWs) bands (ev): -27.2392 -27.2392 -10.0838 -10.0838 -8.9868 -8.9868 -8.9108 -8.9108 -6.6088 -6.6088 -6.6071 -6.6071 -6.5200 -6.5200 -6.5062 -6.5062 -6.1719 -6.1719 -6.0941 -6.0941 -6.0070 -6.0070 -5.9737 -5.9737 -5.8838 -5.8838 -5.8692 -5.8692 1.3827 1.3827 2.6920 2.6920 7.1403 7.1403 7.5832 7.5832 8.4532 8.4532 9.3886 9.3886 12.5159 12.5159 12.8204 12.8204 k = 0.5000 0.2887 0.1755 ( 2572 PWs) bands (ev): -27.2392 -27.2392 -10.0835 -10.0835 -8.9867 -8.9867 -8.9097 -8.9097 -6.6088 -6.6088 -6.6073 -6.6073 -6.5197 -6.5197 -6.5067 -6.5067 -6.1716 -6.1716 -6.0943 -6.0943 -6.0073 -6.0073 -5.9737 -5.9737 -5.8837 -5.8837 -5.8693 -5.8693 1.3875 1.3875 2.6664 2.6664 7.1604 7.1604 7.6071 7.6071 8.4892 8.4892 9.4304 9.4304 12.4475 12.4475 12.7495 12.7495 k = 0.5000 0.2887 0.1620 ( 2568 PWs) bands (ev): -27.2393 -27.2393 -10.0832 -10.0832 -8.9867 -8.9867 -8.9087 -8.9087 -6.6088 -6.6088 -6.6075 -6.6075 -6.5194 -6.5194 -6.5071 -6.5071 -6.1712 -6.1712 -6.0944 -6.0944 -6.0075 -6.0075 -5.9737 -5.9737 -5.8836 -5.8836 -5.8694 -5.8694 1.3920 1.3920 2.6421 2.6421 7.1801 7.1801 7.6306 7.6306 8.5116 8.5116 9.4925 9.4925 12.3832 12.3832 12.6803 12.6803 k = 0.5000 0.2887 0.1485 ( 2576 PWs) bands (ev): -27.2393 -27.2393 -10.0829 -10.0829 -8.9866 -8.9866 -8.9078 -8.9078 -6.6088 -6.6088 -6.6077 -6.6077 -6.5192 -6.5192 -6.5076 -6.5076 -6.1709 -6.1709 -6.0946 -6.0946 -6.0078 -6.0078 -5.9737 -5.9737 -5.8835 -5.8835 -5.8695 -5.8695 1.3964 1.3964 2.6192 2.6192 7.1992 7.1992 7.6535 7.6535 8.5221 8.5221 9.5731 9.5731 12.3230 12.3230 12.6134 12.6134 k = 0.5000 0.2887 0.1350 ( 2576 PWs) bands (ev): -27.2394 -27.2394 -10.0826 -10.0826 -8.9866 -8.9866 -8.9068 -8.9068 -6.6087 -6.6087 -6.6078 -6.6078 -6.5189 -6.5189 -6.5080 -6.5080 -6.1706 -6.1706 -6.0948 -6.0948 -6.0080 -6.0080 -5.9737 -5.9737 -5.8834 -5.8834 -5.8696 -5.8696 1.4005 1.4005 2.5979 2.5979 7.2175 7.2175 7.6757 7.6757 8.5235 8.5235 9.6691 9.6691 12.2672 12.2672 12.5493 12.5493 k = 0.5000 0.2887 0.1215 ( 2574 PWs) bands (ev): -27.2394 -27.2394 -10.0823 -10.0823 -8.9866 -8.9866 -8.9060 -8.9060 -6.6088 -6.6088 -6.6080 -6.6080 -6.5187 -6.5187 -6.5083 -6.5083 -6.1703 -6.1703 -6.0949 -6.0949 -6.0082 -6.0082 -5.9736 -5.9736 -5.8833 -5.8833 -5.8696 -5.8696 1.4043 1.4043 2.5782 2.5782 7.2347 7.2347 7.6968 7.6968 8.5186 8.5186 9.7775 9.7775 12.2160 12.2160 12.4881 12.4881 k = 0.5000 0.2887 0.1080 ( 2578 PWs) bands (ev): -27.2395 -27.2395 -10.0820 -10.0820 -8.9866 -8.9866 -8.9051 -8.9051 -6.6088 -6.6088 -6.6081 -6.6081 -6.5185 -6.5185 -6.5087 -6.5087 -6.1700 -6.1700 -6.0951 -6.0951 -6.0084 -6.0084 -5.9736 -5.9736 -5.8833 -5.8833 -5.8697 -5.8697 1.4078 1.4078 2.5603 2.5603 7.2507 7.2507 7.7166 7.7166 8.5100 8.5100 9.8953 9.8953 12.1696 12.1696 12.4262 12.4262 k = 0.5000 0.2887 0.0945 ( 2578 PWs) bands (ev): -27.2395 -27.2395 -10.0818 -10.0818 -8.9866 -8.9866 -8.9044 -8.9044 -6.6088 -6.6088 -6.6082 -6.6082 -6.5184 -6.5184 -6.5090 -6.5090 -6.1698 -6.1698 -6.0952 -6.0952 -6.0086 -6.0086 -5.9736 -5.9736 -5.8832 -5.8832 -5.8697 -5.8697 1.4110 1.4110 2.5442 2.5442 7.2654 7.2654 7.7349 7.7349 8.4995 8.4995 10.0204 10.0204 12.1281 12.1281 12.3217 12.3217 k = 0.5000 0.2887 0.0810 ( 2584 PWs) bands (ev): -27.2395 -27.2395 -10.0816 -10.0816 -8.9866 -8.9866 -8.9037 -8.9037 -6.6089 -6.6089 -6.6082 -6.6082 -6.5182 -6.5182 -6.5093 -6.5093 -6.1696 -6.1696 -6.0953 -6.0953 -6.0087 -6.0087 -5.9736 -5.9736 -5.8832 -5.8832 -5.8698 -5.8698 1.4138 1.4138 2.5302 2.5302 7.2785 7.2785 7.7513 7.7513 8.4883 8.4883 10.1505 10.1505 12.0917 12.0917 12.1719 12.1719 k = 0.5000 0.2887 0.0675 ( 2580 PWs) bands (ev): -27.2396 -27.2396 -10.0815 -10.0815 -8.9866 -8.9866 -8.9031 -8.9031 -6.6089 -6.6089 -6.6083 -6.6083 -6.5180 -6.5180 -6.5095 -6.5095 -6.1693 -6.1693 -6.0954 -6.0954 -6.0089 -6.0089 -5.9736 -5.9736 -5.8831 -5.8831 -5.8699 -5.8699 1.4163 1.4163 2.5182 2.5182 7.2898 7.2898 7.7656 7.7656 8.4777 8.4777 10.2836 10.2836 12.0181 12.0181 12.0609 12.0609 k = 0.5000 0.2887 0.0540 ( 2584 PWs) bands (ev): -27.2396 -27.2396 -10.0813 -10.0813 -8.9866 -8.9866 -8.9027 -8.9027 -6.6090 -6.6090 -6.6083 -6.6083 -6.5179 -6.5179 -6.5097 -6.5097 -6.1692 -6.1692 -6.0955 -6.0955 -6.0090 -6.0090 -5.9736 -5.9736 -5.8831 -5.8831 -5.8699 -5.8699 1.4183 1.4183 2.5082 2.5082 7.2993 7.2993 7.7777 7.7777 8.4682 8.4682 10.4171 10.4171 11.8672 11.8672 12.0352 12.0352 k = 0.5000 0.2887 0.0405 ( 2580 PWs) bands (ev): -27.2396 -27.2396 -10.0812 -10.0812 -8.9866 -8.9866 -8.9023 -8.9023 -6.6090 -6.6090 -6.6083 -6.6083 -6.5178 -6.5178 -6.5099 -6.5099 -6.1691 -6.1691 -6.0956 -6.0956 -6.0091 -6.0091 -5.9736 -5.9736 -5.8830 -5.8830 -5.8699 -5.8699 1.4199 1.4199 2.5005 2.5005 7.3068 7.3068 7.7873 7.7873 8.4604 8.4604 10.5468 10.5468 11.7236 11.7236 12.0152 12.0152 k = 0.5000 0.2887 0.0270 ( 2584 PWs) bands (ev): -27.2396 -27.2396 -10.0811 -10.0811 -8.9866 -8.9866 -8.9020 -8.9020 -6.6090 -6.6090 -6.6083 -6.6083 -6.5178 -6.5178 -6.5100 -6.5100 -6.1690 -6.1690 -6.0956 -6.0956 -6.0091 -6.0091 -5.9736 -5.9736 -5.8830 -5.8830 -5.8700 -5.8700 1.4210 1.4210 2.4949 2.4949 7.3123 7.3123 7.7943 7.7943 8.4547 8.4547 10.6651 10.6651 11.5953 11.5953 12.0008 12.0008 k = 0.5000 0.2887 0.0135 ( 2584 PWs) bands (ev): -27.2396 -27.2396 -10.0811 -10.0811 -8.9866 -8.9866 -8.9018 -8.9018 -6.6091 -6.6091 -6.6083 -6.6083 -6.5178 -6.5178 -6.5101 -6.5101 -6.1690 -6.1690 -6.0956 -6.0956 -6.0092 -6.0092 -5.9736 -5.9736 -5.8830 -5.8830 -5.8700 -5.8700 1.4217 1.4217 2.4915 2.4915 7.3156 7.3156 7.7985 7.7985 8.4511 8.4511 10.7561 10.7561 11.4983 11.4983 11.9921 11.9921 k = 0.5000 0.2887-0.0000 ( 2584 PWs) bands (ev): -27.2396 -27.2396 -10.0811 -10.0811 -8.9866 -8.9866 -8.9018 -8.9018 -6.6091 -6.6091 -6.6083 -6.6083 -6.5178 -6.5178 -6.5101 -6.5101 -6.1689 -6.1689 -6.0957 -6.0957 -6.0092 -6.0092 -5.9736 -5.9736 -5.8830 -5.8830 -5.8700 -5.8700 1.4219 1.4219 2.4904 2.4904 7.3167 7.3167 7.7999 7.7999 8.4499 8.4499 10.7923 10.7923 11.4600 11.4600 11.9893 11.9893 k = 0.3333 0.5774-0.0000 ( 2556 PWs) bands (ev): -27.2386 -27.2386 -10.0855 -10.0855 -8.9791 -8.9791 -8.9271 -8.9271 -6.6514 -6.6514 -6.5849 -6.5849 -6.5186 -6.5186 -6.4948 -6.4948 -6.1591 -6.1591 -6.1100 -6.1100 -6.0199 -6.0199 -5.9630 -5.9630 -5.9226 -5.9226 -5.8132 -5.8132 2.2143 2.2143 2.2236 2.2236 5.0156 5.0156 8.6989 8.6989 8.7014 8.7014 11.1650 11.1650 11.1947 11.1947 12.2732 12.2732 k = 0.3333 0.5774 0.0135 ( 2550 PWs) bands (ev): -27.2386 -27.2386 -10.0856 -10.0856 -8.9790 -8.9790 -8.9272 -8.9272 -6.6514 -6.6514 -6.5849 -6.5849 -6.5186 -6.5186 -6.4948 -6.4948 -6.1590 -6.1590 -6.1100 -6.1100 -6.0199 -6.0199 -5.9630 -5.9630 -5.9226 -5.9226 -5.8132 -5.8132 2.2143 2.2143 2.2236 2.2236 5.0171 5.0171 8.6947 8.6947 8.6974 8.6974 11.1717 11.1717 11.2014 11.2014 12.2747 12.2747 k = 0.3333 0.5774 0.0270 ( 2559 PWs) bands (ev): -27.2386 -27.2386 -10.0856 -10.0856 -8.9790 -8.9790 -8.9274 -8.9274 -6.6513 -6.6513 -6.5849 -6.5849 -6.5186 -6.5186 -6.4949 -6.4949 -6.1590 -6.1590 -6.1099 -6.1099 -6.0199 -6.0199 -5.9630 -5.9630 -5.9226 -5.9226 -5.8132 -5.8132 2.2142 2.2142 2.2234 2.2234 5.0218 5.0218 8.6823 8.6823 8.6854 8.6854 11.1913 11.1913 11.2212 11.2212 12.2789 12.2789 k = 0.3333 0.5774 0.0405 ( 2553 PWs) bands (ev): -27.2386 -27.2386 -10.0857 -10.0857 -8.9789 -8.9789 -8.9277 -8.9277 -6.6512 -6.6512 -6.5849 -6.5849 -6.5185 -6.5185 -6.4950 -6.4950 -6.1590 -6.1590 -6.1099 -6.1099 -6.0199 -6.0199 -5.9630 -5.9630 -5.9226 -5.9226 -5.8132 -5.8132 2.2141 2.2141 2.2230 2.2230 5.0294 5.0294 8.6621 8.6621 8.6660 8.6660 11.2236 11.2236 11.2539 11.2539 12.2860 12.2860 k = 0.3333 0.5774 0.0540 ( 2562 PWs) bands (ev): -27.2386 -27.2386 -10.0858 -10.0858 -8.9788 -8.9788 -8.9282 -8.9282 -6.6511 -6.6511 -6.5849 -6.5849 -6.5185 -6.5185 -6.4952 -6.4952 -6.1590 -6.1590 -6.1098 -6.1098 -6.0200 -6.0200 -5.9630 -5.9630 -5.9225 -5.9225 -5.8131 -5.8131 2.2140 2.2140 2.2225 2.2225 5.0402 5.0402 8.6348 8.6348 8.6397 8.6397 11.2678 11.2678 11.2985 11.2985 12.2959 12.2959 k = 0.3333 0.5774 0.0675 ( 2556 PWs) bands (ev): -27.2385 -27.2385 -10.0859 -10.0859 -8.9786 -8.9786 -8.9287 -8.9287 -6.6510 -6.6510 -6.5849 -6.5849 -6.5183 -6.5183 -6.4955 -6.4955 -6.1589 -6.1589 -6.1097 -6.1097 -6.0200 -6.0200 -5.9630 -5.9630 -5.9225 -5.9225 -5.8131 -5.8131 2.2138 2.2138 2.2219 2.2219 5.0539 5.0539 8.6013 8.6013 8.6075 8.6075 11.3231 11.3231 11.3543 11.3543 12.3085 12.3085 k = 0.3333 0.5774 0.0810 ( 2550 PWs) bands (ev): -27.2385 -27.2385 -10.0861 -10.0861 -8.9784 -8.9784 -8.9294 -8.9294 -6.6508 -6.6508 -6.5849 -6.5849 -6.5182 -6.5182 -6.4957 -6.4957 -6.1588 -6.1588 -6.1095 -6.1095 -6.0201 -6.0201 -5.9630 -5.9630 -5.9223 -5.9223 -5.8131 -5.8131 2.2136 2.2136 2.2212 2.2212 5.0705 5.0705 8.5624 8.5624 8.5701 8.5701 11.3884 11.3884 11.4201 11.4201 12.3238 12.3238 k = 0.3333 0.5774 0.0945 ( 2556 PWs) bands (ev): -27.2385 -27.2385 -10.0862 -10.0862 -8.9782 -8.9782 -8.9302 -8.9302 -6.6506 -6.6506 -6.5849 -6.5849 -6.5180 -6.5180 -6.4961 -6.4961 -6.1587 -6.1587 -6.1094 -6.1094 -6.0202 -6.0202 -5.9630 -5.9630 -5.9223 -5.9223 -5.8131 -5.8131 2.2134 2.2134 2.2203 2.2203 5.0899 5.0899 8.5192 8.5192 8.5286 8.5286 11.4627 11.4627 11.4950 11.4950 12.3415 12.3415 k = 0.3333 0.5774 0.1080 ( 2562 PWs) bands (ev): -27.2385 -27.2385 -10.0864 -10.0864 -8.9779 -8.9779 -8.9311 -8.9311 -6.6504 -6.6504 -6.5849 -6.5849 -6.5179 -6.5179 -6.4965 -6.4965 -6.1586 -6.1586 -6.1093 -6.1093 -6.0203 -6.0203 -5.9630 -5.9630 -5.9222 -5.9222 -5.8130 -5.8130 2.2132 2.2132 2.2193 2.2193 5.1120 5.1120 8.4725 8.4725 8.4837 8.4837 11.5451 11.5451 11.5779 11.5779 12.3617 12.3617 k = 0.3333 0.5774 0.1215 ( 2568 PWs) bands (ev): -27.2384 -27.2384 -10.0867 -10.0867 -8.9776 -8.9776 -8.9321 -8.9321 -6.6501 -6.6501 -6.5849 -6.5849 -6.5177 -6.5177 -6.4970 -6.4970 -6.1585 -6.1585 -6.1091 -6.1091 -6.0204 -6.0204 -5.9631 -5.9631 -5.9220 -5.9220 -5.8130 -5.8130 2.2129 2.2129 2.2182 2.2182 5.1367 5.1367 8.4233 8.4233 8.4365 8.4365 11.6345 11.6345 11.6678 11.6678 12.3839 12.3839 k = 0.3333 0.5774 0.1350 ( 2574 PWs) bands (ev): -27.2384 -27.2384 -10.0869 -10.0869 -8.9773 -8.9773 -8.9332 -8.9332 -6.6498 -6.6498 -6.5849 -6.5849 -6.5175 -6.5175 -6.4974 -6.4974 -6.1584 -6.1584 -6.1089 -6.1089 -6.0205 -6.0205 -5.9631 -5.9631 -5.9219 -5.9219 -5.8130 -5.8130 2.2126 2.2126 2.2170 2.2170 5.1640 5.1640 8.3723 8.3723 8.3876 8.3876 11.7301 11.7301 11.7638 11.7638 12.4079 12.4079 k = 0.3333 0.5774 0.1485 ( 2562 PWs) bands (ev): -27.2383 -27.2383 -10.0872 -10.0872 -8.9770 -8.9770 -8.9344 -8.9344 -6.6495 -6.6495 -6.5849 -6.5849 -6.5173 -6.5173 -6.4979 -6.4979 -6.1583 -6.1583 -6.1086 -6.1086 -6.0206 -6.0206 -5.9630 -5.9630 -5.9217 -5.9217 -5.8129 -5.8129 2.2122 2.2122 2.2158 2.2158 5.1935 5.1935 8.3203 8.3203 8.3376 8.3376 11.8310 11.8310 11.8649 11.8649 12.4331 12.4331 k = 0.3333 0.5774 0.1620 ( 2562 PWs) bands (ev): -27.2383 -27.2383 -10.0875 -10.0875 -8.9766 -8.9766 -8.9356 -8.9356 -6.6492 -6.6492 -6.5849 -6.5849 -6.5170 -6.5170 -6.4984 -6.4984 -6.1581 -6.1581 -6.1084 -6.1084 -6.0207 -6.0207 -5.9630 -5.9630 -5.9216 -5.9216 -5.8129 -5.8129 2.2119 2.2119 2.2144 2.2144 5.2252 5.2252 8.2677 8.2677 8.2873 8.2873 11.9363 11.9363 11.9703 11.9703 12.4586 12.4586 k = 0.3333 0.5774 0.1755 ( 2562 PWs) bands (ev): -27.2382 -27.2382 -10.0878 -10.0878 -8.9762 -8.9762 -8.9369 -8.9369 -6.6488 -6.6488 -6.5849 -6.5849 -6.5168 -6.5168 -6.4990 -6.4990 -6.1580 -6.1580 -6.1081 -6.1081 -6.0208 -6.0208 -5.9630 -5.9630 -5.9214 -5.9214 -5.8128 -5.8128 2.2115 2.2115 2.2130 2.2130 5.2588 5.2588 8.2153 8.2153 8.2371 8.2371 12.0453 12.0453 12.0791 12.0791 12.4827 12.4827 k = 0.3333 0.5774 0.1890 ( 2562 PWs) bands (ev): -27.2382 -27.2382 -10.0881 -10.0881 -8.9758 -8.9758 -8.9383 -8.9383 -6.6485 -6.6485 -6.5849 -6.5849 -6.5165 -6.5165 -6.4995 -6.4995 -6.1578 -6.1578 -6.1079 -6.1079 -6.0209 -6.0209 -5.9630 -5.9630 -5.9213 -5.9213 -5.8128 -5.8128 2.2111 2.2111 2.2115 2.2115 5.2942 5.2942 8.1633 8.1633 8.1874 8.1874 12.1572 12.1572 12.1905 12.1905 12.5025 12.5025 k = 0.3333 0.5774 0.2025 ( 2562 PWs) bands (ev): -27.2381 -27.2381 -10.0884 -10.0884 -8.9754 -8.9754 -8.9396 -8.9396 -6.6481 -6.6481 -6.5849 -6.5849 -6.5163 -6.5163 -6.5001 -6.5001 -6.1577 -6.1577 -6.1076 -6.1076 -6.0210 -6.0210 -5.9630 -5.9630 -5.9211 -5.9211 -5.8127 -5.8127 2.2099 2.2099 2.2107 2.2107 5.3312 5.3312 8.1123 8.1123 8.1387 8.1387 12.2712 12.2712 12.3035 12.3035 12.5119 12.5119 k = 0.3333 0.5774 0.2160 ( 2568 PWs) bands (ev): -27.2380 -27.2380 -10.0888 -10.0888 -8.9750 -8.9750 -8.9410 -8.9410 -6.6478 -6.6478 -6.5849 -6.5849 -6.5160 -6.5160 -6.5008 -6.5008 -6.1575 -6.1575 -6.1074 -6.1074 -6.0212 -6.0212 -5.9630 -5.9630 -5.9209 -5.9209 -5.8127 -5.8127 2.2083 2.2083 2.2102 2.2102 5.3694 5.3694 8.0626 8.0626 8.0912 8.0912 12.3864 12.3864 12.4168 12.4168 12.5006 12.5006 k = 0.3333 0.5774 0.2295 ( 2562 PWs) bands (ev): -27.2380 -27.2380 -10.0891 -10.0891 -8.9746 -8.9746 -8.9424 -8.9424 -6.6474 -6.6474 -6.5848 -6.5848 -6.5157 -6.5157 -6.5014 -6.5014 -6.1573 -6.1573 -6.1071 -6.1071 -6.0213 -6.0213 -5.9630 -5.9630 -5.9207 -5.9207 -5.8126 -5.8126 2.2067 2.2067 2.2098 2.2098 5.4086 5.4086 8.0144 8.0144 8.0453 8.0453 12.4562 12.4562 12.5017 12.5017 12.5306 12.5306 k = 0.3333 0.5774 0.2430 ( 2562 PWs) bands (ev): -27.2379 -27.2379 -10.0894 -10.0894 -8.9742 -8.9742 -8.9438 -8.9438 -6.6470 -6.6470 -6.5848 -6.5848 -6.5155 -6.5155 -6.5020 -6.5020 -6.1572 -6.1572 -6.1068 -6.1068 -6.0214 -6.0214 -5.9630 -5.9630 -5.9206 -5.9206 -5.8126 -5.8126 2.2051 2.2051 2.2094 2.2094 5.4486 5.4486 7.9681 7.9681 8.0011 8.0011 12.3826 12.3826 12.6155 12.6155 12.6401 12.6401 k = 0.3333 0.5774 0.2565 ( 2562 PWs) bands (ev): -27.2379 -27.2379 -10.0898 -10.0898 -8.9738 -8.9738 -8.9452 -8.9452 -6.6466 -6.6466 -6.5848 -6.5848 -6.5152 -6.5152 -6.5026 -6.5026 -6.1570 -6.1570 -6.1065 -6.1065 -6.0215 -6.0215 -5.9630 -5.9630 -5.9204 -5.9204 -5.8125 -5.8125 2.2035 2.2035 2.2089 2.2089 5.4889 5.4889 7.9237 7.9237 7.9589 7.9589 12.2906 12.2906 12.7256 12.7256 12.7437 12.7437 k = 0.3333 0.5774 0.2700 ( 2565 PWs) bands (ev): -27.2378 -27.2378 -10.0901 -10.0901 -8.9734 -8.9734 -8.9466 -8.9466 -6.6462 -6.6462 -6.5848 -6.5848 -6.5150 -6.5150 -6.5032 -6.5032 -6.1569 -6.1569 -6.1063 -6.1063 -6.0217 -6.0217 -5.9630 -5.9630 -5.9202 -5.9202 -5.8125 -5.8125 2.2019 2.2019 2.2085 2.2085 5.5293 5.5293 7.8816 7.8816 7.9189 7.9189 12.1912 12.1912 12.8282 12.8282 12.8358 12.8358 k = 0.3333 0.5774 0.2835 ( 2571 PWs) bands (ev): -27.2378 -27.2378 -10.0904 -10.0904 -8.9730 -8.9730 -8.9479 -8.9479 -6.6459 -6.6459 -6.5848 -6.5848 -6.5147 -6.5147 -6.5038 -6.5038 -6.1567 -6.1567 -6.1060 -6.1060 -6.0218 -6.0218 -5.9630 -5.9630 -5.9201 -5.9201 -5.8124 -5.8124 2.2004 2.2004 2.2081 2.2081 5.5695 5.5695 7.8418 7.8418 7.8811 7.8811 12.0907 12.0907 12.9087 12.9087 12.9167 12.9167 k = 0.3333 0.5774 0.2970 ( 2571 PWs) bands (ev): -27.2377 -27.2377 -10.0907 -10.0907 -8.9727 -8.9727 -8.9491 -8.9491 -6.6455 -6.6455 -6.5848 -6.5848 -6.5145 -6.5145 -6.5044 -6.5044 -6.1566 -6.1566 -6.1058 -6.1058 -6.0219 -6.0219 -5.9630 -5.9630 -5.9199 -5.9199 -5.8124 -5.8124 2.1989 2.1989 2.2076 2.2076 5.6089 5.6089 7.8046 7.8046 7.8458 7.8458 11.9923 11.9923 12.9596 12.9596 12.9817 12.9817 k = 0.3333 0.5774 0.3105 ( 2556 PWs) bands (ev): -27.2376 -27.2376 -10.0910 -10.0910 -8.9723 -8.9723 -8.9503 -8.9503 -6.6451 -6.6451 -6.5848 -6.5848 -6.5142 -6.5142 -6.5049 -6.5049 -6.1564 -6.1564 -6.1055 -6.1055 -6.0220 -6.0220 -5.9630 -5.9630 -5.9197 -5.9197 -5.8123 -5.8123 2.1974 2.1974 2.2072 2.2072 5.6474 5.6474 7.7700 7.7700 7.8130 7.8130 11.8979 11.8979 12.9907 12.9907 13.0161 13.0161 k = 0.3333 0.5774 0.3240 ( 2550 PWs) bands (ev): -27.2376 -27.2376 -10.0913 -10.0913 -8.9720 -8.9720 -8.9515 -8.9515 -6.6448 -6.6448 -6.5848 -6.5848 -6.5140 -6.5140 -6.5054 -6.5054 -6.1563 -6.1563 -6.1053 -6.1053 -6.0220 -6.0220 -5.9630 -5.9630 -5.9195 -5.9195 -5.8123 -5.8123 2.1960 2.1960 2.2069 2.2069 5.6844 5.6844 7.7381 7.7381 7.7828 7.7828 11.8088 11.8088 13.0017 13.0017 13.0243 13.0243 k = 0.3333 0.5774 0.3375 ( 2538 PWs) bands (ev): -27.2375 -27.2375 -10.0916 -10.0916 -8.9717 -8.9717 -8.9525 -8.9525 -6.6445 -6.6445 -6.5848 -6.5848 -6.5137 -6.5137 -6.5059 -6.5059 -6.1561 -6.1561 -6.1050 -6.1050 -6.0221 -6.0221 -5.9629 -5.9629 -5.9194 -5.9194 -5.8122 -5.8122 2.1948 2.1948 2.2065 2.2065 5.7195 5.7195 7.7090 7.7090 7.7553 7.7553 11.7259 11.7259 12.9979 12.9979 13.0169 13.0169 k = 0.3333 0.5774 0.3510 ( 2550 PWs) bands (ev): -27.2375 -27.2375 -10.0918 -10.0918 -8.9714 -8.9714 -8.9535 -8.9535 -6.6442 -6.6442 -6.5848 -6.5848 -6.5136 -6.5136 -6.5063 -6.5063 -6.1560 -6.1560 -6.1049 -6.1049 -6.0222 -6.0222 -5.9630 -5.9630 -5.9193 -5.9193 -5.8121 -5.8121 2.1936 2.1936 2.2062 2.2062 5.7523 5.7523 7.6828 7.6828 7.7305 7.7305 11.6498 11.6498 12.9864 12.9864 13.0023 13.0023 k = 0.3333 0.5774 0.3645 ( 2550 PWs) bands (ev): -27.2375 -27.2375 -10.0921 -10.0921 -8.9711 -8.9711 -8.9544 -8.9544 -6.6440 -6.6440 -6.5848 -6.5848 -6.5134 -6.5134 -6.5067 -6.5067 -6.1559 -6.1559 -6.1047 -6.1047 -6.0223 -6.0223 -5.9630 -5.9630 -5.9192 -5.9192 -5.8121 -5.8121 2.1925 2.1925 2.2059 2.2059 5.7825 5.7825 7.6596 7.6596 7.7085 7.7085 11.5813 11.5813 12.9720 12.9720 12.9853 12.9853 k = 0.3333 0.5774 0.3780 ( 2550 PWs) bands (ev): -27.2374 -27.2374 -10.0923 -10.0923 -8.9709 -8.9709 -8.9552 -8.9552 -6.6437 -6.6437 -6.5848 -6.5848 -6.5133 -6.5133 -6.5071 -6.5071 -6.1558 -6.1558 -6.1046 -6.1046 -6.0224 -6.0224 -5.9630 -5.9630 -5.9191 -5.9191 -5.8121 -5.8121 2.1915 2.1915 2.2056 2.2056 5.8096 5.8096 7.6394 7.6394 7.6894 7.6894 11.5207 11.5207 12.9571 12.9571 12.9684 12.9684 k = 0.3333 0.5774 0.3915 ( 2535 PWs) bands (ev): -27.2374 -27.2374 -10.0924 -10.0924 -8.9707 -8.9707 -8.9558 -8.9558 -6.6435 -6.6435 -6.5847 -6.5847 -6.5131 -6.5131 -6.5073 -6.5073 -6.1557 -6.1557 -6.1044 -6.1044 -6.0224 -6.0224 -5.9630 -5.9630 -5.9190 -5.9190 -5.8120 -5.8120 2.1907 2.1907 2.2053 2.2053 5.8332 5.8332 7.6222 7.6222 7.6732 7.6732 11.4687 11.4687 12.9432 12.9432 12.9529 12.9529 k = 0.3333 0.5774 0.4050 ( 2532 PWs) bands (ev): -27.2374 -27.2374 -10.0926 -10.0926 -8.9705 -8.9705 -8.9564 -8.9564 -6.6434 -6.6434 -6.5847 -6.5847 -6.5130 -6.5130 -6.5076 -6.5076 -6.1556 -6.1556 -6.1042 -6.1042 -6.0224 -6.0224 -5.9630 -5.9630 -5.9189 -5.9189 -5.8120 -5.8120 2.1900 2.1900 2.2052 2.2052 5.8531 5.8531 7.6081 7.6081 7.6599 7.6599 11.4255 11.4255 12.9311 12.9311 12.9395 12.9395 k = 0.3333 0.5774 0.4185 ( 2538 PWs) bands (ev): -27.2374 -27.2374 -10.0927 -10.0927 -8.9704 -8.9704 -8.9568 -8.9568 -6.6432 -6.6432 -6.5847 -6.5847 -6.5129 -6.5129 -6.5078 -6.5078 -6.1556 -6.1556 -6.1042 -6.1042 -6.0225 -6.0225 -5.9630 -5.9630 -5.9189 -5.9189 -5.8120 -5.8120 2.1895 2.1895 2.2050 2.2050 5.8688 5.8688 7.5971 7.5971 7.6495 7.6495 11.3916 11.3916 12.9212 12.9212 12.9288 12.9288 k = 0.3333 0.5774 0.4320 ( 2544 PWs) bands (ev): -27.2374 -27.2374 -10.0928 -10.0928 -8.9703 -8.9703 -8.9571 -8.9571 -6.6431 -6.6431 -6.5848 -6.5848 -6.5129 -6.5129 -6.5079 -6.5079 -6.1556 -6.1556 -6.1041 -6.1041 -6.0225 -6.0225 -5.9630 -5.9630 -5.9188 -5.9188 -5.8120 -5.8120 2.1891 2.1891 2.2049 2.2049 5.8803 5.8803 7.5892 7.5892 7.6421 7.6421 11.3671 11.3671 12.9141 12.9141 12.9210 12.9210 k = 0.3333 0.5774 0.4455 ( 2538 PWs) bands (ev): -27.2373 -27.2373 -10.0928 -10.0928 -8.9702 -8.9702 -8.9573 -8.9573 -6.6431 -6.6431 -6.5847 -6.5847 -6.5128 -6.5128 -6.5080 -6.5080 -6.1555 -6.1555 -6.1041 -6.1041 -6.0225 -6.0225 -5.9630 -5.9630 -5.9188 -5.9188 -5.8120 -5.8120 2.1888 2.1888 2.2048 2.2048 5.8872 5.8872 7.5845 7.5845 7.6376 7.6376 11.3524 11.3524 12.9097 12.9097 12.9163 12.9163 k = 0.3333 0.5774 0.4590 ( 2544 PWs) bands (ev): -27.2373 -27.2373 -10.0928 -10.0928 -8.9702 -8.9702 -8.9574 -8.9574 -6.6431 -6.6431 -6.5848 -6.5848 -6.5128 -6.5128 -6.5081 -6.5081 -6.1556 -6.1556 -6.1041 -6.1041 -6.0225 -6.0225 -5.9630 -5.9630 -5.9188 -5.9188 -5.8120 -5.8120 2.1888 2.1888 2.2048 2.2048 5.8895 5.8895 7.5829 7.5829 7.6361 7.6361 11.3474 11.3474 12.9082 12.9082 12.9147 12.9147 Writing output data file SrGa2.save init_run : 0.18s CPU 0.29s WALL ( 1 calls) electrons : 100.65s CPU 103.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 100.65s CPU 103.04s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 343 calls) cegterg : 92.86s CPU 94.44s WALL ( 543 calls) Called by sum_band: Called by *egterg: h_psi : 49.92s CPU 50.78s WALL ( 8865 calls) s_psi : 2.66s CPU 2.68s WALL ( 8865 calls) g_psi : 0.07s CPU 0.11s WALL ( 7979 calls) cdiaghg : 38.61s CPU 39.47s WALL ( 8322 calls) cegterg:over : 2.90s CPU 2.94s WALL ( 7979 calls) cegterg:upda : 2.10s CPU 2.09s WALL ( 7979 calls) cegterg:last : 1.33s CPU 1.31s WALL ( 1229 calls) cdiaghg:chol : 1.95s CPU 2.07s WALL ( 8322 calls) cdiaghg:inve : 1.06s CPU 1.16s WALL ( 8322 calls) cdiaghg:para : 2.26s CPU 2.31s WALL ( 16644 calls) Called by h_psi: h_psi:vloc : 44.02s CPU 44.92s WALL ( 8865 calls) h_psi:vnl : 5.80s CPU 5.76s WALL ( 8865 calls) add_vuspsi : 3.17s CPU 3.17s WALL ( 8865 calls) General routines calbec : 2.60s CPU 2.57s WALL ( 8865 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 41.44s CPU 42.21s WALL ( 644892 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.50s WALL ( 686 calls) Parallel routines fft_scatter : 15.95s CPU 16.39s WALL ( 644915 calls) PWSCF : 1m52.22s CPU 2m 6.07s WALL This run was terminated on: 18:31: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=