Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:51:40 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: ./BaGa2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized 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 32 23 7 1016 631 103 Max 33 24 8 1021 644 108 Sum 1159 847 253 36629 23003 3743 bravais-lattice index = 14 lattice parameter (alat) = 8.3696 a.u. unit-cell volume = 581.9158 (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 = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.369596 celldm(2)= 1.000000 celldm(3)= 1.146083 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 1.146083 ) 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 0.872537 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 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 Ba 10.00 137.32700 Ba( 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= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0030488 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0030488 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0030488 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0030488 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0030488 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0030488 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0030488 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0030488 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0030488 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0030488 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0030488 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0030488 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0030488 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0030488 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0030488 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0030488 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0030488 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0030488 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0030488 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0030488 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0030488 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0030488 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0030488 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0030488 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0030488 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0030488 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0030488 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0030488 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0030488 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0030488 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0030488 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0030488 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0030488 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0030488 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0030488 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0030488 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0030488 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0030488 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0030488 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0030488 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030488 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030488 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0030488 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0030488 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0030488 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0030488 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0030488 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0030488 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0030488 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0030488 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0030488 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0030488 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0030488 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0030488 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0030488 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0030488 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0030488 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0030488 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0030488 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0030488 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0030488 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0030488 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0030488 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0030488 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0030488 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030488 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030488 k( 69) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0030488 k( 70) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0030488 k( 71) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0030488 k( 72) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0030488 k( 73) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0030488 k( 74) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0030488 k( 75) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0030488 k( 76) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0030488 k( 77) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0030488 k( 78) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0030488 k( 79) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0030488 k( 80) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0030488 k( 81) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0030488 k( 82) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0030488 k( 83) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0030488 k( 84) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0030488 k( 85) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0030488 k( 86) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0030488 k( 87) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0030488 k( 88) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0030488 k( 89) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0030488 k( 90) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0030488 k( 91) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0030488 k( 92) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0030488 k( 93) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0030488 k( 94) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0030488 k( 95) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0030488 k( 96) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0030488 k( 97) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0030488 k( 98) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0030488 k( 99) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0030488 k( 100) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0030488 k( 101) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0030488 k( 102) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0030488 k( 103) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0030488 k( 104) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0030488 k( 105) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0030488 k( 106) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0030488 k( 107) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0030488 k( 108) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0030488 k( 109) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0030488 k( 110) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0030488 k( 111) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0030488 k( 112) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0030488 k( 113) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0030488 k( 114) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0030488 k( 115) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0030488 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 118) = ( 0.0000000 0.0000000 0.0140732), wk = 0.0030488 k( 119) = ( 0.0000000 0.0000000 0.0281464), wk = 0.0030488 k( 120) = ( 0.0000000 0.0000000 0.0422196), wk = 0.0030488 k( 121) = ( 0.0000000 0.0000000 0.0562927), wk = 0.0030488 k( 122) = ( 0.0000000 0.0000000 0.0703659), wk = 0.0030488 k( 123) = ( 0.0000000 0.0000000 0.0844391), wk = 0.0030488 k( 124) = ( 0.0000000 0.0000000 0.0985123), wk = 0.0030488 k( 125) = ( 0.0000000 0.0000000 0.1125855), wk = 0.0030488 k( 126) = ( 0.0000000 0.0000000 0.1266587), wk = 0.0030488 k( 127) = ( 0.0000000 0.0000000 0.1407318), wk = 0.0030488 k( 128) = ( 0.0000000 0.0000000 0.1548050), wk = 0.0030488 k( 129) = ( 0.0000000 0.0000000 0.1688782), wk = 0.0030488 k( 130) = ( 0.0000000 0.0000000 0.1829514), wk = 0.0030488 k( 131) = ( 0.0000000 0.0000000 0.1970246), wk = 0.0030488 k( 132) = ( 0.0000000 0.0000000 0.2110978), wk = 0.0030488 k( 133) = ( 0.0000000 0.0000000 0.2251710), wk = 0.0030488 k( 134) = ( 0.0000000 0.0000000 0.2392441), wk = 0.0030488 k( 135) = ( 0.0000000 0.0000000 0.2533173), wk = 0.0030488 k( 136) = ( 0.0000000 0.0000000 0.2673905), wk = 0.0030488 k( 137) = ( 0.0000000 0.0000000 0.2814637), wk = 0.0030488 k( 138) = ( 0.0000000 0.0000000 0.2955369), wk = 0.0030488 k( 139) = ( 0.0000000 0.0000000 0.3096101), wk = 0.0030488 k( 140) = ( 0.0000000 0.0000000 0.3236832), wk = 0.0030488 k( 141) = ( 0.0000000 0.0000000 0.3377564), wk = 0.0030488 k( 142) = ( 0.0000000 0.0000000 0.3518296), wk = 0.0030488 k( 143) = ( 0.0000000 0.0000000 0.3659028), wk = 0.0030488 k( 144) = ( 0.0000000 0.0000000 0.3799760), wk = 0.0030488 k( 145) = ( 0.0000000 0.0000000 0.3940492), wk = 0.0030488 k( 146) = ( 0.0000000 0.0000000 0.4081224), wk = 0.0030488 k( 147) = ( 0.0000000 0.0000000 0.4221955), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.4362687), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.4362687), wk = 0.0030488 k( 150) = ( 0.0121951 0.0070409 0.4362687), wk = 0.0030488 k( 151) = ( 0.0243902 0.0140817 0.4362687), wk = 0.0030488 k( 152) = ( 0.0365854 0.0211226 0.4362687), wk = 0.0030488 k( 153) = ( 0.0487805 0.0281634 0.4362687), wk = 0.0030488 k( 154) = ( 0.0609756 0.0352043 0.4362687), wk = 0.0030488 k( 155) = ( 0.0731707 0.0422451 0.4362687), wk = 0.0030488 k( 156) = ( 0.0853658 0.0492860 0.4362687), wk = 0.0030488 k( 157) = ( 0.0975610 0.0563269 0.4362687), wk = 0.0030488 k( 158) = ( 0.1097561 0.0633677 0.4362687), wk = 0.0030488 k( 159) = ( 0.1219512 0.0704086 0.4362687), wk = 0.0030488 k( 160) = ( 0.1341463 0.0774494 0.4362687), wk = 0.0030488 k( 161) = ( 0.1463415 0.0844903 0.4362687), wk = 0.0030488 k( 162) = ( 0.1585366 0.0915311 0.4362687), wk = 0.0030488 k( 163) = ( 0.1707317 0.0985720 0.4362687), wk = 0.0030488 k( 164) = ( 0.1829268 0.1056129 0.4362687), wk = 0.0030488 k( 165) = ( 0.1951219 0.1126537 0.4362687), wk = 0.0030488 k( 166) = ( 0.2073171 0.1196946 0.4362687), wk = 0.0030488 k( 167) = ( 0.2195122 0.1267354 0.4362687), wk = 0.0030488 k( 168) = ( 0.2317073 0.1337763 0.4362687), wk = 0.0030488 k( 169) = ( 0.2439024 0.1408171 0.4362687), wk = 0.0030488 k( 170) = ( 0.2560976 0.1478580 0.4362687), wk = 0.0030488 k( 171) = ( 0.2682927 0.1548989 0.4362687), wk = 0.0030488 k( 172) = ( 0.2804878 0.1619397 0.4362687), wk = 0.0030488 k( 173) = ( 0.2926829 0.1689806 0.4362687), wk = 0.0030488 k( 174) = ( 0.3048781 0.1760214 0.4362687), wk = 0.0030488 k( 175) = ( 0.3170732 0.1830623 0.4362687), wk = 0.0030488 k( 176) = ( 0.3292683 0.1901031 0.4362687), wk = 0.0030488 k( 177) = ( 0.3414634 0.1971440 0.4362687), wk = 0.0030488 k( 178) = ( 0.3536585 0.2041849 0.4362687), wk = 0.0030488 k( 179) = ( 0.3658537 0.2112257 0.4362687), wk = 0.0030488 k( 180) = ( 0.3780488 0.2182666 0.4362687), wk = 0.0030488 k( 181) = ( 0.3902439 0.2253074 0.4362687), wk = 0.0030488 k( 182) = ( 0.4024390 0.2323483 0.4362687), wk = 0.0030488 k( 183) = ( 0.4146341 0.2393891 0.4362687), wk = 0.0030488 k( 184) = ( 0.4268293 0.2464300 0.4362687), wk = 0.0030488 k( 185) = ( 0.4390244 0.2534708 0.4362687), wk = 0.0030488 k( 186) = ( 0.4512195 0.2605117 0.4362687), wk = 0.0030488 k( 187) = ( 0.4634146 0.2675526 0.4362687), wk = 0.0030488 k( 188) = ( 0.4756098 0.2745934 0.4362687), wk = 0.0030488 k( 189) = ( 0.4878049 0.2816343 0.4362687), wk = 0.0030488 k( 190) = ( 0.5000000 0.2886751 0.4362687), wk = 0.0030488 k( 191) = ( 0.5000000 0.2886751 0.4362687), wk = 0.0030488 k( 192) = ( 0.4930556 0.3007033 0.4362687), wk = 0.0030488 k( 193) = ( 0.4861111 0.3127314 0.4362687), wk = 0.0030488 k( 194) = ( 0.4791667 0.3247595 0.4362687), wk = 0.0030488 k( 195) = ( 0.4722222 0.3367877 0.4362687), wk = 0.0030488 k( 196) = ( 0.4652778 0.3488158 0.4362687), wk = 0.0030488 k( 197) = ( 0.4583333 0.3608439 0.4362687), wk = 0.0030488 k( 198) = ( 0.4513889 0.3728720 0.4362687), wk = 0.0030488 k( 199) = ( 0.4444444 0.3849002 0.4362687), wk = 0.0030488 k( 200) = ( 0.4375000 0.3969283 0.4362687), wk = 0.0030488 k( 201) = ( 0.4305556 0.4089564 0.4362687), wk = 0.0030488 k( 202) = ( 0.4236111 0.4209846 0.4362687), wk = 0.0030488 k( 203) = ( 0.4166667 0.4330127 0.4362687), wk = 0.0030488 k( 204) = ( 0.4097222 0.4450408 0.4362687), wk = 0.0030488 k( 205) = ( 0.4027778 0.4570690 0.4362687), wk = 0.0030488 k( 206) = ( 0.3958333 0.4690971 0.4362687), wk = 0.0030488 k( 207) = ( 0.3888889 0.4811252 0.4362687), wk = 0.0030488 k( 208) = ( 0.3819444 0.4931534 0.4362687), wk = 0.0030488 k( 209) = ( 0.3750000 0.5051815 0.4362687), wk = 0.0030488 k( 210) = ( 0.3680556 0.5172096 0.4362687), wk = 0.0030488 k( 211) = ( 0.3611111 0.5292377 0.4362687), wk = 0.0030488 k( 212) = ( 0.3541667 0.5412659 0.4362687), wk = 0.0030488 k( 213) = ( 0.3472222 0.5532940 0.4362687), wk = 0.0030488 k( 214) = ( 0.3402778 0.5653221 0.4362687), wk = 0.0030488 k( 215) = ( 0.3333333 0.5773503 0.4362687), wk = 0.0030488 k( 216) = ( 0.3333333 0.5773503 0.4362687), wk = 0.0030488 k( 217) = ( 0.3263889 0.5653221 0.4362687), wk = 0.0030488 k( 218) = ( 0.3194444 0.5532940 0.4362687), wk = 0.0030488 k( 219) = ( 0.3125000 0.5412659 0.4362687), wk = 0.0030488 k( 220) = ( 0.3055556 0.5292378 0.4362687), wk = 0.0030488 k( 221) = ( 0.2986111 0.5172096 0.4362687), wk = 0.0030488 k( 222) = ( 0.2916667 0.5051815 0.4362687), wk = 0.0030488 k( 223) = ( 0.2847222 0.4931534 0.4362687), wk = 0.0030488 k( 224) = ( 0.2777778 0.4811252 0.4362687), wk = 0.0030488 k( 225) = ( 0.2708333 0.4690971 0.4362687), wk = 0.0030488 k( 226) = ( 0.2638889 0.4570690 0.4362687), wk = 0.0030488 k( 227) = ( 0.2569444 0.4450408 0.4362687), wk = 0.0030488 k( 228) = ( 0.2500000 0.4330127 0.4362687), wk = 0.0030488 k( 229) = ( 0.2430556 0.4209846 0.4362687), wk = 0.0030488 k( 230) = ( 0.2361111 0.4089564 0.4362687), wk = 0.0030488 k( 231) = ( 0.2291667 0.3969283 0.4362687), wk = 0.0030488 k( 232) = ( 0.2222222 0.3849002 0.4362687), wk = 0.0030488 k( 233) = ( 0.2152778 0.3728721 0.4362687), wk = 0.0030488 k( 234) = ( 0.2083333 0.3608439 0.4362687), wk = 0.0030488 k( 235) = ( 0.2013889 0.3488158 0.4362687), wk = 0.0030488 k( 236) = ( 0.1944444 0.3367876 0.4362687), wk = 0.0030488 k( 237) = ( 0.1875000 0.3247595 0.4362687), wk = 0.0030488 k( 238) = ( 0.1805556 0.3127314 0.4362687), wk = 0.0030488 k( 239) = ( 0.1736111 0.3007033 0.4362687), wk = 0.0030488 k( 240) = ( 0.1666667 0.2886751 0.4362687), wk = 0.0030488 k( 241) = ( 0.1597222 0.2766470 0.4362687), wk = 0.0030488 k( 242) = ( 0.1527778 0.2646189 0.4362687), wk = 0.0030488 k( 243) = ( 0.1458333 0.2525907 0.4362687), wk = 0.0030488 k( 244) = ( 0.1388889 0.2405626 0.4362687), wk = 0.0030488 k( 245) = ( 0.1319444 0.2285345 0.4362687), wk = 0.0030488 k( 246) = ( 0.1250000 0.2165064 0.4362687), wk = 0.0030488 k( 247) = ( 0.1180556 0.2044782 0.4362687), wk = 0.0030488 k( 248) = ( 0.1111111 0.1924501 0.4362687), wk = 0.0030488 k( 249) = ( 0.1041667 0.1804220 0.4362687), wk = 0.0030488 k( 250) = ( 0.0972222 0.1683938 0.4362687), wk = 0.0030488 k( 251) = ( 0.0902778 0.1563657 0.4362687), wk = 0.0030488 k( 252) = ( 0.0833333 0.1443376 0.4362687), wk = 0.0030488 k( 253) = ( 0.0763889 0.1323094 0.4362687), wk = 0.0030488 k( 254) = ( 0.0694444 0.1202813 0.4362687), wk = 0.0030488 k( 255) = ( 0.0625000 0.1082532 0.4362687), wk = 0.0030488 k( 256) = ( 0.0555556 0.0962251 0.4362687), wk = 0.0030488 k( 257) = ( 0.0486111 0.0841969 0.4362687), wk = 0.0030488 k( 258) = ( 0.0416667 0.0721688 0.4362687), wk = 0.0030488 k( 259) = ( 0.0347222 0.0601406 0.4362687), wk = 0.0030488 k( 260) = ( 0.0277778 0.0481125 0.4362687), wk = 0.0030488 k( 261) = ( 0.0208333 0.0360844 0.4362687), wk = 0.0030488 k( 262) = ( 0.0138889 0.0240563 0.4362687), wk = 0.0030488 k( 263) = ( 0.0069444 0.0120281 0.4362687), wk = 0.0030488 k( 264) = ( 0.0000000 0.0000000 0.4362687), wk = 0.0030488 k( 265) = ( 0.5000000 0.2886751 0.4362687), wk = 0.0030488 k( 266) = ( 0.5000000 0.2886751 0.4221955), wk = 0.0030488 k( 267) = ( 0.5000000 0.2886751 0.4081224), wk = 0.0030488 k( 268) = ( 0.5000000 0.2886751 0.3940492), wk = 0.0030488 k( 269) = ( 0.5000000 0.2886751 0.3799760), wk = 0.0030488 k( 270) = ( 0.5000000 0.2886751 0.3659028), wk = 0.0030488 k( 271) = ( 0.5000000 0.2886751 0.3518296), wk = 0.0030488 k( 272) = ( 0.5000000 0.2886751 0.3377564), wk = 0.0030488 k( 273) = ( 0.5000000 0.2886751 0.3236832), wk = 0.0030488 k( 274) = ( 0.5000000 0.2886751 0.3096101), wk = 0.0030488 k( 275) = ( 0.5000000 0.2886751 0.2955369), wk = 0.0030488 k( 276) = ( 0.5000000 0.2886751 0.2814637), wk = 0.0030488 k( 277) = ( 0.5000000 0.2886751 0.2673905), wk = 0.0030488 k( 278) = ( 0.5000000 0.2886751 0.2533173), wk = 0.0030488 k( 279) = ( 0.5000000 0.2886751 0.2392441), wk = 0.0030488 k( 280) = ( 0.5000000 0.2886751 0.2251710), wk = 0.0030488 k( 281) = ( 0.5000000 0.2886751 0.2110978), wk = 0.0030488 k( 282) = ( 0.5000000 0.2886751 0.1970246), wk = 0.0030488 k( 283) = ( 0.5000000 0.2886751 0.1829514), wk = 0.0030488 k( 284) = ( 0.5000000 0.2886751 0.1688782), wk = 0.0030488 k( 285) = ( 0.5000000 0.2886751 0.1548050), wk = 0.0030488 k( 286) = ( 0.5000000 0.2886751 0.1407318), wk = 0.0030488 k( 287) = ( 0.5000000 0.2886751 0.1266587), wk = 0.0030488 k( 288) = ( 0.5000000 0.2886751 0.1125855), wk = 0.0030488 k( 289) = ( 0.5000000 0.2886751 0.0985123), wk = 0.0030488 k( 290) = ( 0.5000000 0.2886751 0.0844391), wk = 0.0030488 k( 291) = ( 0.5000000 0.2886751 0.0703659), wk = 0.0030488 k( 292) = ( 0.5000000 0.2886751 0.0562927), wk = 0.0030488 k( 293) = ( 0.5000000 0.2886751 0.0422196), wk = 0.0030488 k( 294) = ( 0.5000000 0.2886751 0.0281464), wk = 0.0030488 k( 295) = ( 0.5000000 0.2886751 0.0140732), wk = 0.0030488 k( 296) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030488 k( 297) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030488 k( 298) = ( 0.3333333 0.5773503 0.0140732), wk = 0.0030488 k( 299) = ( 0.3333333 0.5773503 0.0281464), wk = 0.0030488 k( 300) = ( 0.3333333 0.5773503 0.0422196), wk = 0.0030488 k( 301) = ( 0.3333333 0.5773503 0.0562927), wk = 0.0030488 k( 302) = ( 0.3333333 0.5773503 0.0703659), wk = 0.0030488 k( 303) = ( 0.3333333 0.5773503 0.0844391), wk = 0.0030488 k( 304) = ( 0.3333333 0.5773503 0.0985123), wk = 0.0030488 k( 305) = ( 0.3333333 0.5773503 0.1125855), wk = 0.0030488 k( 306) = ( 0.3333333 0.5773503 0.1266587), wk = 0.0030488 k( 307) = ( 0.3333333 0.5773503 0.1407318), wk = 0.0030488 k( 308) = ( 0.3333333 0.5773503 0.1548050), wk = 0.0030488 k( 309) = ( 0.3333333 0.5773503 0.1688782), wk = 0.0030488 k( 310) = ( 0.3333333 0.5773503 0.1829514), wk = 0.0030488 k( 311) = ( 0.3333333 0.5773503 0.1970246), wk = 0.0030488 k( 312) = ( 0.3333333 0.5773503 0.2110978), wk = 0.0030488 k( 313) = ( 0.3333333 0.5773503 0.2251710), wk = 0.0030488 k( 314) = ( 0.3333333 0.5773503 0.2392441), wk = 0.0030488 k( 315) = ( 0.3333333 0.5773503 0.2533173), wk = 0.0030488 k( 316) = ( 0.3333333 0.5773503 0.2673905), wk = 0.0030488 k( 317) = ( 0.3333333 0.5773503 0.2814637), wk = 0.0030488 k( 318) = ( 0.3333333 0.5773503 0.2955369), wk = 0.0030488 k( 319) = ( 0.3333333 0.5773503 0.3096101), wk = 0.0030488 k( 320) = ( 0.3333333 0.5773503 0.3236832), wk = 0.0030488 k( 321) = ( 0.3333333 0.5773503 0.3377564), wk = 0.0030488 k( 322) = ( 0.3333333 0.5773503 0.3518296), wk = 0.0030488 k( 323) = ( 0.3333333 0.5773503 0.3659028), wk = 0.0030488 k( 324) = ( 0.3333333 0.5773503 0.3799760), wk = 0.0030488 k( 325) = ( 0.3333333 0.5773503 0.3940492), wk = 0.0030488 k( 326) = ( 0.3333333 0.5773503 0.4081224), wk = 0.0030488 k( 327) = ( 0.3333333 0.5773503 0.4221955), wk = 0.0030488 k( 328) = ( 0.3333333 0.5773503 0.4362687), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0121951 0.0000000 -0.0000000), wk = 0.0030488 k( 3) = ( 0.0243902 0.0000000 -0.0000000), wk = 0.0030488 k( 4) = ( 0.0365854 0.0000000 -0.0000000), wk = 0.0030488 k( 5) = ( 0.0487805 0.0000000 -0.0000000), wk = 0.0030488 k( 6) = ( 0.0609756 -0.0000000 -0.0000000), wk = 0.0030488 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0030488 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0030488 k( 9) = ( 0.0975610 0.0000000 -0.0000000), wk = 0.0030488 k( 10) = ( 0.1097561 0.0000000 -0.0000000), wk = 0.0030488 k( 11) = ( 0.1219512 -0.0000000 -0.0000000), wk = 0.0030488 k( 12) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0030488 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0030488 k( 14) = ( 0.1585366 -0.0000000 0.0000000), wk = 0.0030488 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0030488 k( 16) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0030488 k( 17) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0030488 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0030488 k( 19) = ( 0.2195122 0.0000000 -0.0000000), wk = 0.0030488 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0030488 k( 21) = ( 0.2439024 -0.0000000 -0.0000000), wk = 0.0030488 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0030488 k( 23) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0030488 k( 24) = ( 0.2804878 0.0000000 -0.0000000), wk = 0.0030488 k( 25) = ( 0.2926829 -0.0000000 0.0000000), wk = 0.0030488 k( 26) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0030488 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0030488 k( 28) = ( 0.3292683 -0.0000000 0.0000000), wk = 0.0030488 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0030488 k( 30) = ( 0.3536585 -0.0000000 0.0000000), wk = 0.0030488 k( 31) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0030488 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0030488 k( 33) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0030488 k( 34) = ( 0.4024390 0.0000000 -0.0000000), wk = 0.0030488 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0030488 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0030488 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0030488 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0030488 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0030488 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0030488 k( 41) = ( 0.4878049 -0.0000000 -0.0000000), wk = 0.0030488 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030488 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030488 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0030488 k( 45) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0030488 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0030488 k( 47) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0030488 k( 48) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0030488 k( 49) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0030488 k( 50) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0030488 k( 51) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0030488 k( 52) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0030488 k( 53) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0030488 k( 54) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0030488 k( 55) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0030488 k( 56) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0030488 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0030488 k( 58) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0030488 k( 59) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0030488 k( 60) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0030488 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0030488 k( 62) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0030488 k( 63) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0030488 k( 64) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0030488 k( 65) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0030488 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0030488 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030488 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030488 k( 69) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0030488 k( 70) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0030488 k( 71) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0030488 k( 72) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0030488 k( 73) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0030488 k( 74) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0030488 k( 75) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0030488 k( 76) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0030488 k( 77) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0030488 k( 78) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0030488 k( 79) = ( 0.2569444 0.2569444 -0.0000000), wk = 0.0030488 k( 80) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030488 k( 81) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0030488 k( 82) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0030488 k( 83) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0030488 k( 84) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0030488 k( 85) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0030488 k( 86) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0030488 k( 87) = ( 0.2013889 0.2013889 -0.0000000), wk = 0.0030488 k( 88) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0030488 k( 89) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0030488 k( 90) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0030488 k( 91) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0030488 k( 92) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030488 k( 93) = ( 0.1597222 0.1597222 0.0000000), wk = 0.0030488 k( 94) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0030488 k( 95) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0030488 k( 96) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0030488 k( 97) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0030488 k( 98) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0030488 k( 99) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0030488 k( 100) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0030488 k( 101) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0030488 k( 102) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0030488 k( 103) = ( 0.0902778 0.0902778 -0.0000000), wk = 0.0030488 k( 104) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0030488 k( 105) = ( 0.0763889 0.0763889 -0.0000000), wk = 0.0030488 k( 106) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0030488 k( 107) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0030488 k( 108) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0030488 k( 109) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0030488 k( 110) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0030488 k( 111) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0030488 k( 112) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0030488 k( 113) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0030488 k( 114) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0030488 k( 115) = ( 0.0069444 0.0069444 -0.0000000), wk = 0.0030488 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 118) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0030488 k( 119) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0030488 k( 120) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0030488 k( 121) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0030488 k( 122) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0030488 k( 123) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0030488 k( 124) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0030488 k( 125) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0030488 k( 126) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0030488 k( 127) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0030488 k( 128) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0030488 k( 129) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0030488 k( 130) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0030488 k( 131) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0030488 k( 132) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0030488 k( 133) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0030488 k( 134) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0030488 k( 135) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0030488 k( 136) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0030488 k( 137) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0030488 k( 138) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0030488 k( 139) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0030488 k( 140) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0030488 k( 141) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0030488 k( 142) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0030488 k( 143) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0030488 k( 144) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0030488 k( 145) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0030488 k( 146) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0030488 k( 147) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 150) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0030488 k( 151) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0030488 k( 152) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0030488 k( 153) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0030488 k( 154) = ( 0.0609756 -0.0000000 0.5000000), wk = 0.0030488 k( 155) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0030488 k( 156) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0030488 k( 157) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0030488 k( 158) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0030488 k( 159) = ( 0.1219512 -0.0000000 0.5000000), wk = 0.0030488 k( 160) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0030488 k( 161) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0030488 k( 162) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0030488 k( 163) = ( 0.1707317 -0.0000000 0.5000000), wk = 0.0030488 k( 164) = ( 0.1829268 -0.0000000 0.5000000), wk = 0.0030488 k( 165) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0030488 k( 166) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0030488 k( 167) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0030488 k( 168) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0030488 k( 169) = ( 0.2439024 -0.0000000 0.5000000), wk = 0.0030488 k( 170) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0030488 k( 171) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0030488 k( 172) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0030488 k( 173) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0030488 k( 174) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0030488 k( 175) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0030488 k( 176) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0030488 k( 177) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0030488 k( 178) = ( 0.3536585 -0.0000000 0.5000000), wk = 0.0030488 k( 179) = ( 0.3658537 -0.0000000 0.5000000), wk = 0.0030488 k( 180) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0030488 k( 181) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0030488 k( 182) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0030488 k( 183) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0030488 k( 184) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0030488 k( 185) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0030488 k( 186) = ( 0.4512195 -0.0000000 0.5000000), wk = 0.0030488 k( 187) = ( 0.4634146 -0.0000000 0.5000000), wk = 0.0030488 k( 188) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0030488 k( 189) = ( 0.4878049 -0.0000000 0.5000000), wk = 0.0030488 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 192) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0030488 k( 193) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0030488 k( 194) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0030488 k( 195) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0030488 k( 196) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0030488 k( 197) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0030488 k( 198) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0030488 k( 199) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0030488 k( 200) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0030488 k( 201) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0030488 k( 202) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0030488 k( 203) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0030488 k( 204) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0030488 k( 205) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0030488 k( 206) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0030488 k( 207) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0030488 k( 208) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0030488 k( 209) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0030488 k( 210) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0030488 k( 211) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0030488 k( 212) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0030488 k( 213) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0030488 k( 214) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0030488 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030488 k( 216) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030488 k( 217) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0030488 k( 218) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0030488 k( 219) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0030488 k( 220) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0030488 k( 221) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0030488 k( 222) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0030488 k( 223) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0030488 k( 224) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0030488 k( 225) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0030488 k( 226) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0030488 k( 227) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0030488 k( 228) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0030488 k( 229) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0030488 k( 230) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0030488 k( 231) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0030488 k( 232) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0030488 k( 233) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0030488 k( 234) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0030488 k( 235) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0030488 k( 236) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0030488 k( 237) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0030488 k( 238) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0030488 k( 239) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0030488 k( 240) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030488 k( 241) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0030488 k( 242) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0030488 k( 243) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0030488 k( 244) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0030488 k( 245) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0030488 k( 246) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0030488 k( 247) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0030488 k( 248) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0030488 k( 249) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0030488 k( 250) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0030488 k( 251) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0030488 k( 252) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0030488 k( 253) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0030488 k( 254) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0030488 k( 255) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0030488 k( 256) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0030488 k( 257) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0030488 k( 258) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0030488 k( 259) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0030488 k( 260) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0030488 k( 261) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0030488 k( 262) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0030488 k( 263) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0030488 k( 264) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 265) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 266) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0030488 k( 267) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0030488 k( 268) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0030488 k( 269) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0030488 k( 270) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0030488 k( 271) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0030488 k( 272) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0030488 k( 273) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0030488 k( 274) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0030488 k( 275) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0030488 k( 276) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0030488 k( 277) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0030488 k( 278) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0030488 k( 279) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0030488 k( 280) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0030488 k( 281) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0030488 k( 282) = ( 0.5000000 0.0000000 0.2258065), wk = 0.0030488 k( 283) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0030488 k( 284) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0030488 k( 285) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0030488 k( 286) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0030488 k( 287) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0030488 k( 288) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0030488 k( 289) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0030488 k( 290) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0030488 k( 291) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0030488 k( 292) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0030488 k( 293) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0030488 k( 294) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0030488 k( 295) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0030488 k( 296) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030488 k( 297) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030488 k( 298) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0030488 k( 299) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0030488 k( 300) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0030488 k( 301) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0030488 k( 302) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0030488 k( 303) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0030488 k( 304) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0030488 k( 305) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0030488 k( 306) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0030488 k( 307) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0030488 k( 308) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0030488 k( 309) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0030488 k( 310) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0030488 k( 311) = ( 0.3333333 0.3333333 0.2258065), wk = 0.0030488 k( 312) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0030488 k( 313) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0030488 k( 314) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0030488 k( 315) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0030488 k( 316) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0030488 k( 317) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0030488 k( 318) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0030488 k( 319) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0030488 k( 320) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0030488 k( 321) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0030488 k( 322) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0030488 k( 323) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0030488 k( 324) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0030488 k( 325) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0030488 k( 326) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0030488 k( 327) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0030488 k( 328) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030488 Dense grid: 36629 G-vectors FFT dimensions: ( 45, 45, 48) Smooth grid: 23003 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 166, 44) NL pseudopotentials 0.13 Mb ( 83, 103) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1018) G-vector shells 0.00 Mb ( 495) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 166, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 103, 2, 44) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./BaGa2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.8 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.7 secs Computing kpt #: 16 total cpu time spent up to now is 7.0 secs Computing kpt #: 17 total cpu time spent up to now is 7.2 secs Computing kpt #: 18 total cpu time spent up to now is 7.5 secs Computing kpt #: 19 total cpu time spent up to now is 7.8 secs Computing kpt #: 20 total cpu time spent up to now is 8.1 secs Computing kpt #: 21 total cpu time spent up to now is 8.3 secs Computing kpt #: 22 total cpu time spent up to now is 8.6 secs Computing kpt #: 23 total cpu time spent up to now is 8.9 secs Computing kpt #: 24 total cpu time spent up to now is 9.1 secs Computing kpt #: 25 total cpu time spent up to now is 9.4 secs Computing kpt #: 26 total cpu time spent up to now is 9.6 secs Computing kpt #: 27 total cpu time spent up to now is 9.9 secs Computing kpt #: 28 total cpu time spent up to now is 10.2 secs Computing kpt #: 29 total cpu time spent up to now is 10.4 secs Computing kpt #: 30 total cpu time spent up to now is 10.7 secs Computing kpt #: 31 total cpu time spent up to now is 11.0 secs Computing kpt #: 32 total cpu time spent up to now is 11.2 secs Computing kpt #: 33 total cpu time spent up to now is 11.5 secs Computing kpt #: 34 total cpu time spent up to now is 11.8 secs Computing kpt #: 35 total cpu time spent up to now is 12.0 secs Computing kpt #: 36 total cpu time spent up to now is 12.3 secs Computing kpt #: 37 total cpu time spent up to now is 12.6 secs Computing kpt #: 38 total cpu time spent up to now is 12.9 secs Computing kpt #: 39 total cpu time spent up to now is 13.1 secs Computing kpt #: 40 total cpu time spent up to now is 13.4 secs Computing kpt #: 41 total cpu time spent up to now is 13.6 secs Computing kpt #: 42 total cpu time spent up to now is 13.9 secs Computing kpt #: 43 total cpu time spent up to now is 14.2 secs Computing kpt #: 44 total cpu time spent up to now is 14.4 secs Computing kpt #: 45 total cpu time spent up to now is 14.7 secs Computing kpt #: 46 total cpu time spent up to now is 14.9 secs Computing kpt #: 47 total cpu time spent up to now is 15.2 secs Computing kpt #: 48 total cpu time spent up to now is 15.5 secs Computing kpt #: 49 total cpu time spent up to now is 15.7 secs Computing kpt #: 50 total cpu time spent up to now is 16.0 secs Computing kpt #: 51 total cpu time spent up to now is 16.3 secs Computing kpt #: 52 total cpu time spent up to now is 16.5 secs Computing kpt #: 53 total cpu time spent up to now is 16.8 secs Computing kpt #: 54 total cpu time spent up to now is 17.1 secs Computing kpt #: 55 total cpu time spent up to now is 17.3 secs Computing kpt #: 56 total cpu time spent up to now is 17.6 secs Computing kpt #: 57 total cpu time spent up to now is 17.8 secs Computing kpt #: 58 total cpu time spent up to now is 18.1 secs Computing kpt #: 59 total cpu time spent up to now is 18.3 secs Computing kpt #: 60 total cpu time spent up to now is 18.6 secs Computing kpt #: 61 total cpu time spent up to now is 18.8 secs Computing kpt #: 62 total cpu time spent up to now is 19.0 secs Computing kpt #: 63 total cpu time spent up to now is 19.3 secs Computing kpt #: 64 total cpu time spent up to now is 19.5 secs Computing kpt #: 65 total cpu time spent up to now is 19.7 secs Computing kpt #: 66 total cpu time spent up to now is 20.0 secs Computing kpt #: 67 total cpu time spent up to now is 20.2 secs Computing kpt #: 68 total cpu time spent up to now is 20.4 secs Computing kpt #: 69 total cpu time spent up to now is 20.7 secs Computing kpt #: 70 total cpu time spent up to now is 20.9 secs Computing kpt #: 71 total cpu time spent up to now is 21.1 secs Computing kpt #: 72 total cpu time spent up to now is 21.4 secs Computing kpt #: 73 total cpu time spent up to now is 21.6 secs Computing kpt #: 74 total cpu time spent up to now is 21.9 secs Computing kpt #: 75 total cpu time spent up to now is 22.1 secs Computing kpt #: 76 total cpu time spent up to now is 22.4 secs Computing kpt #: 77 total cpu time spent up to now is 22.6 secs Computing kpt #: 78 total cpu time spent up to now is 22.9 secs Computing kpt #: 79 total cpu time spent up to now is 23.1 secs Computing kpt #: 80 total cpu time spent up to now is 23.4 secs Computing kpt #: 81 total cpu time spent up to now is 23.6 secs Computing kpt #: 82 total cpu time spent up to now is 23.9 secs Computing kpt #: 83 total cpu time spent up to now is 24.1 secs Computing kpt #: 84 total cpu time spent up to now is 24.4 secs Computing kpt #: 85 total cpu time spent up to now is 24.6 secs Computing kpt #: 86 total cpu time spent up to now is 24.9 secs Computing kpt #: 87 total cpu time spent up to now is 25.1 secs Computing kpt #: 88 total cpu time spent up to now is 25.4 secs Computing kpt #: 89 total cpu time spent up to now is 25.6 secs Computing kpt #: 90 total cpu time spent up to now is 25.9 secs Computing kpt #: 91 total cpu time spent up to now is 26.1 secs Computing kpt #: 92 total cpu time spent up to now is 26.4 secs Computing kpt #: 93 total cpu time spent up to now is 26.6 secs Computing kpt #: 94 total cpu time spent up to now is 26.9 secs Computing kpt #: 95 total cpu time spent up to now is 27.1 secs Computing kpt #: 96 total cpu time spent up to now is 27.4 secs Computing kpt #: 97 total cpu time spent up to now is 27.6 secs Computing kpt #: 98 total cpu time spent up to now is 27.9 secs Computing kpt #: 99 total cpu time spent up to now is 28.2 secs Computing kpt #: 100 total cpu time spent up to now is 28.4 secs Computing kpt #: 101 total cpu time spent up to now is 28.7 secs Computing kpt #: 102 total cpu time spent up to now is 29.0 secs Computing kpt #: 103 total cpu time spent up to now is 29.2 secs Computing kpt #: 104 total cpu time spent up to now is 29.5 secs Computing kpt #: 105 total cpu time spent up to now is 29.7 secs Computing kpt #: 106 total cpu time spent up to now is 30.0 secs Computing kpt #: 107 total cpu time spent up to now is 30.3 secs Computing kpt #: 108 total cpu time spent up to now is 30.6 secs Computing kpt #: 109 total cpu time spent up to now is 30.8 secs Computing kpt #: 110 total cpu time spent up to now is 31.1 secs Computing kpt #: 111 total cpu time spent up to now is 31.3 secs Computing kpt #: 112 total cpu time spent up to now is 31.6 secs Computing kpt #: 113 total cpu time spent up to now is 31.9 secs Computing kpt #: 114 total cpu time spent up to now is 32.2 secs Computing kpt #: 115 total cpu time spent up to now is 32.6 secs Computing kpt #: 116 total cpu time spent up to now is 33.1 secs Computing kpt #: 117 total cpu time spent up to now is 33.6 secs Computing kpt #: 118 total cpu time spent up to now is 33.9 secs Computing kpt #: 119 total cpu time spent up to now is 34.2 secs Computing kpt #: 120 total cpu time spent up to now is 34.5 secs Computing kpt #: 121 total cpu time spent up to now is 34.7 secs Computing kpt #: 122 total cpu time spent up to now is 36.0 secs Computing kpt #: 123 total cpu time spent up to now is 36.2 secs Computing kpt #: 124 total cpu time spent up to now is 36.5 secs Computing kpt #: 125 total cpu time spent up to now is 36.7 secs Computing kpt #: 126 total cpu time spent up to now is 37.0 secs Computing kpt #: 127 total cpu time spent up to now is 37.2 secs Computing kpt #: 128 total cpu time spent up to now is 37.5 secs Computing kpt #: 129 total cpu time spent up to now is 37.7 secs Computing kpt #: 130 total cpu time spent up to now is 37.9 secs Computing kpt #: 131 total cpu time spent up to now is 38.2 secs Computing kpt #: 132 total cpu time spent up to now is 38.4 secs Computing kpt #: 133 total cpu time spent up to now is 38.6 secs Computing kpt #: 134 total cpu time spent up to now is 38.9 secs Computing kpt #: 135 total cpu time spent up to now is 39.1 secs Computing kpt #: 136 total cpu time spent up to now is 39.4 secs Computing kpt #: 137 total cpu time spent up to now is 39.7 secs Computing kpt #: 138 total cpu time spent up to now is 39.9 secs Computing kpt #: 139 total cpu time spent up to now is 40.2 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 41.9 secs Computing kpt #: 146 total cpu time spent up to now is 42.2 secs Computing kpt #: 147 total cpu time spent up to now is 42.5 secs Computing kpt #: 148 total cpu time spent up to now is 42.8 secs Computing kpt #: 149 total cpu time spent up to now is 43.1 secs Computing kpt #: 150 total cpu time spent up to now is 43.3 secs Computing kpt #: 151 total cpu time spent up to now is 43.6 secs Computing kpt #: 152 total cpu time spent up to now is 43.9 secs Computing kpt #: 153 total cpu time spent up to now is 44.2 secs Computing kpt #: 154 total cpu time spent up to now is 44.4 secs Computing kpt #: 155 total cpu time spent up to now is 44.7 secs Computing kpt #: 156 total cpu time spent up to now is 45.0 secs Computing kpt #: 157 total cpu time spent up to now is 45.3 secs Computing kpt #: 158 total cpu time spent up to now is 45.6 secs Computing kpt #: 159 total cpu time spent up to now is 45.8 secs Computing kpt #: 160 total cpu time spent up to now is 46.1 secs Computing kpt #: 161 total cpu time spent up to now is 46.4 secs Computing kpt #: 162 total cpu time spent up to now is 46.7 secs Computing kpt #: 163 total cpu time spent up to now is 47.0 secs Computing kpt #: 164 total cpu time spent up to now is 47.2 secs Computing kpt #: 165 total cpu time spent up to now is 47.5 secs Computing kpt #: 166 total cpu time spent up to now is 47.8 secs Computing kpt #: 167 total cpu time spent up to now is 48.1 secs Computing kpt #: 168 total cpu time spent up to now is 48.4 secs Computing kpt #: 169 total cpu time spent up to now is 48.6 secs Computing kpt #: 170 total cpu time spent up to now is 48.9 secs Computing kpt #: 171 total cpu time spent up to now is 49.2 secs Computing kpt #: 172 total cpu time spent up to now is 49.5 secs Computing kpt #: 173 total cpu time spent up to now is 49.8 secs Computing kpt #: 174 total cpu time spent up to now is 50.0 secs Computing kpt #: 175 total cpu time spent up to now is 50.3 secs Computing kpt #: 176 total cpu time spent up to now is 50.6 secs Computing kpt #: 177 total cpu time spent up to now is 50.9 secs Computing kpt #: 178 total cpu time spent up to now is 51.1 secs Computing kpt #: 179 total cpu time spent up to now is 51.4 secs Computing kpt #: 180 total cpu time spent up to now is 51.7 secs Computing kpt #: 181 total cpu time spent up to now is 52.0 secs Computing kpt #: 182 total cpu time spent up to now is 52.3 secs Computing kpt #: 183 total cpu time spent up to now is 52.6 secs Computing kpt #: 184 total cpu time spent up to now is 52.9 secs Computing kpt #: 185 total cpu time spent up to now is 53.1 secs Computing kpt #: 186 total cpu time spent up to now is 53.4 secs Computing kpt #: 187 total cpu time spent up to now is 53.6 secs Computing kpt #: 188 total cpu time spent up to now is 53.9 secs Computing kpt #: 189 total cpu time spent up to now is 54.1 secs Computing kpt #: 190 total cpu time spent up to now is 54.4 secs Computing kpt #: 191 total cpu time spent up to now is 54.6 secs Computing kpt #: 192 total cpu time spent up to now is 54.9 secs Computing kpt #: 193 total cpu time spent up to now is 55.1 secs Computing kpt #: 194 total cpu time spent up to now is 55.4 secs Computing kpt #: 195 total cpu time spent up to now is 55.7 secs Computing kpt #: 196 total cpu time spent up to now is 55.9 secs Computing kpt #: 197 total cpu time spent up to now is 56.2 secs Computing kpt #: 198 total cpu time spent up to now is 56.4 secs Computing kpt #: 199 total cpu time spent up to now is 56.7 secs Computing kpt #: 200 total cpu time spent up to now is 56.9 secs Computing kpt #: 201 total cpu time spent up to now is 57.2 secs Computing kpt #: 202 total cpu time spent up to now is 57.5 secs Computing kpt #: 203 total cpu time spent up to now is 57.7 secs Computing kpt #: 204 total cpu time spent up to now is 58.0 secs Computing kpt #: 205 total cpu time spent up to now is 58.3 secs Computing kpt #: 206 total cpu time spent up to now is 58.5 secs Computing kpt #: 207 total cpu time spent up to now is 58.8 secs Computing kpt #: 208 total cpu time spent up to now is 59.1 secs Computing kpt #: 209 total cpu time spent up to now is 59.3 secs Computing kpt #: 210 total cpu time spent up to now is 59.6 secs Computing kpt #: 211 total cpu time spent up to now is 59.9 secs Computing kpt #: 212 total cpu time spent up to now is 60.1 secs Computing kpt #: 213 total cpu time spent up to now is 60.4 secs Computing kpt #: 214 total cpu time spent up to now is 60.7 secs Computing kpt #: 215 total cpu time spent up to now is 60.9 secs Computing kpt #: 216 total cpu time spent up to now is 61.2 secs Computing kpt #: 217 total cpu time spent up to now is 61.4 secs Computing kpt #: 218 total cpu time spent up to now is 61.7 secs Computing kpt #: 219 total cpu time spent up to now is 62.0 secs Computing kpt #: 220 total cpu time spent up to now is 62.2 secs Computing kpt #: 221 total cpu time spent up to now is 62.5 secs Computing kpt #: 222 total cpu time spent up to now is 62.8 secs Computing kpt #: 223 total cpu time spent up to now is 63.1 secs Computing kpt #: 224 total cpu time spent up to now is 63.4 secs Computing kpt #: 225 total cpu time spent up to now is 63.7 secs Computing kpt #: 226 total cpu time spent up to now is 64.0 secs Computing kpt #: 227 total cpu time spent up to now is 64.3 secs Computing kpt #: 228 total cpu time spent up to now is 64.6 secs Computing kpt #: 229 total cpu time spent up to now is 64.8 secs Computing kpt #: 230 total cpu time spent up to now is 65.1 secs Computing kpt #: 231 total cpu time spent up to now is 65.4 secs Computing kpt #: 232 total cpu time spent up to now is 65.7 secs Computing kpt #: 233 total cpu time spent up to now is 66.0 secs Computing kpt #: 234 total cpu time spent up to now is 66.3 secs Computing kpt #: 235 total cpu time spent up to now is 66.6 secs Computing kpt #: 236 total cpu time spent up to now is 66.8 secs Computing kpt #: 237 total cpu time spent up to now is 67.1 secs Computing kpt #: 238 total cpu time spent up to now is 67.4 secs Computing kpt #: 239 total cpu time spent up to now is 67.7 secs Computing kpt #: 240 total cpu time spent up to now is 68.0 secs Computing kpt #: 241 total cpu time spent up to now is 68.2 secs Computing kpt #: 242 total cpu time spent up to now is 68.5 secs Computing kpt #: 243 total cpu time spent up to now is 68.8 secs Computing kpt #: 244 total cpu time spent up to now is 69.1 secs Computing kpt #: 245 total cpu time spent up to now is 69.3 secs Computing kpt #: 246 total cpu time spent up to now is 69.6 secs Computing kpt #: 247 total cpu time spent up to now is 69.9 secs Computing kpt #: 248 total cpu time spent up to now is 70.2 secs Computing kpt #: 249 total cpu time spent up to now is 70.4 secs Computing kpt #: 250 total cpu time spent up to now is 70.7 secs Computing kpt #: 251 total cpu time spent up to now is 71.0 secs Computing kpt #: 252 total cpu time spent up to now is 71.3 secs Computing kpt #: 253 total cpu time spent up to now is 71.6 secs Computing kpt #: 254 total cpu time spent up to now is 71.8 secs Computing kpt #: 255 total cpu time spent up to now is 72.2 secs Computing kpt #: 256 total cpu time spent up to now is 72.5 secs Computing kpt #: 257 total cpu time spent up to now is 72.8 secs Computing kpt #: 258 total cpu time spent up to now is 73.2 secs Computing kpt #: 259 total cpu time spent up to now is 73.5 secs Computing kpt #: 260 total cpu time spent up to now is 73.9 secs Computing kpt #: 261 total cpu time spent up to now is 74.1 secs Computing kpt #: 262 total cpu time spent up to now is 74.4 secs Computing kpt #: 263 total cpu time spent up to now is 74.7 secs Computing kpt #: 264 total cpu time spent up to now is 75.0 secs Computing kpt #: 265 total cpu time spent up to now is 75.2 secs Computing kpt #: 266 total cpu time spent up to now is 75.5 secs Computing kpt #: 267 total cpu time spent up to now is 75.7 secs Computing kpt #: 268 total cpu time spent up to now is 76.0 secs Computing kpt #: 269 total cpu time spent up to now is 76.2 secs Computing kpt #: 270 total cpu time spent up to now is 76.5 secs Computing kpt #: 271 total cpu time spent up to now is 76.8 secs Computing kpt #: 272 total cpu time spent up to now is 77.0 secs Computing kpt #: 273 total cpu time spent up to now is 77.3 secs Computing kpt #: 274 total cpu time spent up to now is 77.5 secs Computing kpt #: 275 total cpu time spent up to now is 77.8 secs Computing kpt #: 276 total cpu time spent up to now is 78.1 secs Computing kpt #: 277 total cpu time spent up to now is 78.4 secs Computing kpt #: 278 total cpu time spent up to now is 78.6 secs Computing kpt #: 279 total cpu time spent up to now is 78.9 secs Computing kpt #: 280 total cpu time spent up to now is 79.2 secs Computing kpt #: 281 total cpu time spent up to now is 79.4 secs Computing kpt #: 282 total cpu time spent up to now is 79.7 secs Computing kpt #: 283 total cpu time spent up to now is 80.0 secs Computing kpt #: 284 total cpu time spent up to now is 80.2 secs Computing kpt #: 285 total cpu time spent up to now is 80.5 secs Computing kpt #: 286 total cpu time spent up to now is 80.8 secs Computing kpt #: 287 total cpu time spent up to now is 81.0 secs Computing kpt #: 288 total cpu time spent up to now is 81.3 secs Computing kpt #: 289 total cpu time spent up to now is 81.5 secs Computing kpt #: 290 total cpu time spent up to now is 81.8 secs Computing kpt #: 291 total cpu time spent up to now is 82.0 secs Computing kpt #: 292 total cpu time spent up to now is 82.3 secs Computing kpt #: 293 total cpu time spent up to now is 82.5 secs Computing kpt #: 294 total cpu time spent up to now is 82.8 secs Computing kpt #: 295 total cpu time spent up to now is 83.0 secs Computing kpt #: 296 total cpu time spent up to now is 83.3 secs Computing kpt #: 297 total cpu time spent up to now is 83.5 secs Computing kpt #: 298 total cpu time spent up to now is 83.8 secs Computing kpt #: 299 total cpu time spent up to now is 84.0 secs Computing kpt #: 300 total cpu time spent up to now is 84.2 secs Computing kpt #: 301 total cpu time spent up to now is 84.5 secs Computing kpt #: 302 total cpu time spent up to now is 84.7 secs Computing kpt #: 303 total cpu time spent up to now is 84.9 secs Computing kpt #: 304 total cpu time spent up to now is 85.2 secs Computing kpt #: 305 total cpu time spent up to now is 85.4 secs Computing kpt #: 306 total cpu time spent up to now is 85.7 secs Computing kpt #: 307 total cpu time spent up to now is 85.9 secs Computing kpt #: 308 total cpu time spent up to now is 86.2 secs Computing kpt #: 309 total cpu time spent up to now is 86.5 secs Computing kpt #: 310 total cpu time spent up to now is 86.7 secs Computing kpt #: 311 total cpu time spent up to now is 87.0 secs Computing kpt #: 312 total cpu time spent up to now is 87.2 secs Computing kpt #: 313 total cpu time spent up to now is 87.5 secs Computing kpt #: 314 total cpu time spent up to now is 87.8 secs Computing kpt #: 315 total cpu time spent up to now is 88.1 secs Computing kpt #: 316 total cpu time spent up to now is 88.4 secs Computing kpt #: 317 total cpu time spent up to now is 88.6 secs Computing kpt #: 318 total cpu time spent up to now is 88.9 secs Computing kpt #: 319 total cpu time spent up to now is 89.2 secs Computing kpt #: 320 total cpu time spent up to now is 89.5 secs Computing kpt #: 321 total cpu time spent up to now is 89.7 secs Computing kpt #: 322 total cpu time spent up to now is 90.0 secs Computing kpt #: 323 total cpu time spent up to now is 90.3 secs Computing kpt #: 324 total cpu time spent up to now is 90.5 secs Computing kpt #: 325 total cpu time spent up to now is 90.8 secs Computing kpt #: 326 total cpu time spent up to now is 91.1 secs Computing kpt #: 327 total cpu time spent up to now is 91.3 secs Computing kpt #: 328 total cpu time spent up to now is 91.6 secs ethr = 2.78E-08, avg # of iterations = 17.5 total cpu time spent up to now is 91.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2895 PWs) bands (ev): -19.5561 -19.5561 -6.3645 -6.3645 -6.3472 -6.3472 -6.3210 -6.3210 -6.2869 -6.2869 -6.1481 -6.1481 -5.9373 -5.9373 -5.8945 -5.8945 -5.8643 -5.8643 -5.7772 -5.7772 -5.7714 -5.7714 -5.7663 -5.7663 -4.1495 -4.1495 -4.0099 -4.0099 -0.1825 -0.1825 7.8815 7.8815 8.3167 8.3167 8.3887 8.3887 8.4474 8.4474 8.8630 8.8630 12.3609 12.3609 12.4117 12.4122 k = 0.0122 0.0070-0.0000 ( 2895 PWs) bands (ev): -19.5561 -19.5561 -6.3646 -6.3646 -6.3472 -6.3472 -6.3210 -6.3210 -6.2870 -6.2870 -6.1482 -6.1482 -5.9376 -5.9376 -5.8941 -5.8941 -5.8643 -5.8643 -5.7772 -5.7772 -5.7730 -5.7730 -5.7646 -5.7646 -4.1496 -4.1496 -4.0105 -4.0105 -0.1807 -0.1807 7.8805 7.8805 8.2818 8.2818 8.3684 8.3684 8.4497 8.4497 8.9177 8.9177 12.3521 12.3521 12.3680 12.3680 k = 0.0244 0.0141-0.0000 ( 2895 PWs) bands (ev): -19.5559 -19.5559 -6.3648 -6.3648 -6.3473 -6.3473 -6.3210 -6.3210 -6.2873 -6.2873 -6.1487 -6.1487 -5.9385 -5.9385 -5.8929 -5.8929 -5.8644 -5.8644 -5.7774 -5.7774 -5.7755 -5.7755 -5.7615 -5.7615 -4.1497 -4.1497 -4.0121 -4.0121 -0.1754 -0.1754 7.8775 7.8775 8.1697 8.1697 8.3546 8.3546 8.4565 8.4565 9.0420 9.0420 12.2634 12.2634 12.3630 12.3630 k = 0.0366 0.0211-0.0000 ( 2889 PWs) bands (ev): -19.5557 -19.5557 -6.3652 -6.3652 -6.3474 -6.3474 -6.3210 -6.3210 -6.2878 -6.2878 -6.1496 -6.1496 -5.9397 -5.9397 -5.8910 -5.8910 -5.8644 -5.8644 -5.7792 -5.7792 -5.7765 -5.7765 -5.7581 -5.7581 -4.1501 -4.1501 -4.0149 -4.0149 -0.1665 -0.1665 7.8724 7.8724 8.0234 8.0234 8.3475 8.3475 8.4678 8.4678 9.1925 9.1925 12.1477 12.1477 12.3118 12.3118 k = 0.0488 0.0282-0.0000 ( 2893 PWs) bands (ev): -19.5553 -19.5553 -6.3658 -6.3658 -6.3475 -6.3475 -6.3209 -6.3209 -6.2884 -6.2884 -6.1507 -6.1507 -5.9414 -5.9414 -5.8886 -5.8886 -5.8645 -5.8645 -5.7819 -5.7819 -5.7764 -5.7764 -5.7546 -5.7546 -4.1506 -4.1506 -4.0186 -4.0186 -0.1540 -0.1540 7.8560 7.8560 7.8749 7.8749 8.3407 8.3407 8.4835 8.4835 9.3527 9.3527 12.0224 12.0224 12.2464 12.2464 k = 0.0610 0.0352-0.0000 ( 2885 PWs) bands (ev): -19.5549 -19.5549 -6.3665 -6.3665 -6.3477 -6.3477 -6.3209 -6.3209 -6.2893 -6.2893 -6.1522 -6.1522 -5.9432 -5.9432 -5.8857 -5.8857 -5.8646 -5.8646 -5.7846 -5.7846 -5.7762 -5.7762 -5.7510 -5.7510 -4.1512 -4.1512 -4.0234 -4.0234 -0.1380 -0.1380 7.7012 7.7012 7.8586 7.8586 8.3326 8.3326 8.5034 8.5034 9.5159 9.5159 11.8958 11.8958 12.1894 12.1894 k = 0.0732 0.0422-0.0000 ( 2885 PWs) bands (ev): -19.5544 -19.5544 -6.3673 -6.3673 -6.3479 -6.3479 -6.3209 -6.3209 -6.2903 -6.2903 -6.1540 -6.1540 -5.9451 -5.9451 -5.8825 -5.8825 -5.8647 -5.8647 -5.7871 -5.7871 -5.7759 -5.7759 -5.7474 -5.7474 -4.1521 -4.1521 -4.0290 -4.0290 -0.1186 -0.1186 7.5368 7.5368 7.8484 7.8484 8.3231 8.3231 8.5274 8.5274 9.6785 9.6785 11.7728 11.7728 12.1398 12.1398 k = 0.0854 0.0493-0.0000 ( 2893 PWs) bands (ev): -19.5538 -19.5538 -6.3684 -6.3684 -6.3482 -6.3482 -6.3208 -6.3208 -6.2915 -6.2915 -6.1562 -6.1562 -5.9471 -5.9471 -5.8791 -5.8791 -5.8648 -5.8648 -5.7895 -5.7895 -5.7756 -5.7756 -5.7439 -5.7439 -4.1533 -4.1533 -4.0354 -4.0354 -0.0957 -0.0957 7.3716 7.3716 7.8369 7.8369 8.3120 8.3120 8.5552 8.5552 9.8375 9.8375 11.6568 11.6568 12.0976 12.0976 k = 0.0976 0.0563-0.0000 ( 2889 PWs) bands (ev): -19.5531 -19.5531 -6.3695 -6.3695 -6.3485 -6.3485 -6.3208 -6.3208 -6.2928 -6.2928 -6.1586 -6.1586 -5.9491 -5.9491 -5.8757 -5.8757 -5.8648 -5.8648 -5.7916 -5.7916 -5.7751 -5.7751 -5.7403 -5.7403 -4.1548 -4.1548 -4.0424 -4.0424 -0.0695 -0.0695 7.2065 7.2065 7.8242 7.8242 8.2993 8.2993 8.5864 8.5864 9.9896 9.9896 11.5516 11.5516 12.0627 12.0627 k = 0.1098 0.0634-0.0000 ( 2879 PWs) bands (ev): -19.5523 -19.5523 -6.3707 -6.3707 -6.3489 -6.3489 -6.3208 -6.3208 -6.2942 -6.2942 -6.1613 -6.1613 -5.9510 -5.9510 -5.8724 -5.8724 -5.8646 -5.8646 -5.7935 -5.7935 -5.7746 -5.7746 -5.7368 -5.7368 -4.1567 -4.1567 -4.0499 -4.0499 -0.0400 -0.0400 7.0419 7.0419 7.8103 7.8103 8.2849 8.2849 8.6207 8.6207 10.1297 10.1297 11.4618 11.4618 12.0350 12.0350 k = 0.1220 0.0704-0.0000 ( 2875 PWs) bands (ev): -19.5515 -19.5515 -6.3720 -6.3720 -6.3493 -6.3493 -6.3208 -6.3208 -6.2958 -6.2958 -6.1643 -6.1643 -5.9529 -5.9529 -5.8699 -5.8699 -5.8636 -5.8636 -5.7952 -5.7952 -5.7740 -5.7740 -5.7333 -5.7333 -4.1591 -4.1591 -4.0576 -4.0576 -0.0071 -0.0071 6.8780 6.8780 7.7955 7.7955 8.2689 8.2689 8.6575 8.6575 10.2512 10.2512 11.3940 11.3940 12.0146 12.0146 k = 0.1341 0.0774-0.0000 ( 2879 PWs) bands (ev): -19.5506 -19.5506 -6.3735 -6.3735 -6.3499 -6.3499 -6.3209 -6.3209 -6.2973 -6.2973 -6.1676 -6.1676 -5.9546 -5.9546 -5.8688 -5.8688 -5.8614 -5.8614 -5.7966 -5.7966 -5.7733 -5.7733 -5.7299 -5.7299 -4.1623 -4.1623 -4.0653 -4.0653 0.0289 0.0289 6.7151 6.7151 7.7798 7.7798 8.2513 8.2513 8.6962 8.6962 10.3453 10.3453 11.3560 11.3560 12.0015 12.0015 k = 0.1463 0.0845-0.0000 ( 2879 PWs) bands (ev): -19.5496 -19.5496 -6.3750 -6.3750 -6.3505 -6.3505 -6.3211 -6.3211 -6.2990 -6.2990 -6.1712 -6.1712 -5.9562 -5.9562 -5.8687 -5.8687 -5.8582 -5.8582 -5.7978 -5.7978 -5.7725 -5.7725 -5.7267 -5.7267 -4.1662 -4.1662 -4.0728 -4.0728 0.0680 0.0680 6.5532 6.5532 7.7636 7.7636 8.2321 8.2321 8.7360 8.7360 10.4043 10.4043 11.3543 11.3543 11.9956 11.9956 k = 0.1585 0.0915-0.0000 ( 2875 PWs) bands (ev): -19.5485 -19.5485 -6.3766 -6.3766 -6.3511 -6.3511 -6.3213 -6.3213 -6.3006 -6.3006 -6.1750 -6.1750 -5.9577 -5.9577 -5.8690 -5.8690 -5.8548 -5.8548 -5.7987 -5.7987 -5.7716 -5.7716 -5.7234 -5.7234 -4.1712 -4.1712 -4.0799 -4.0799 0.1102 0.1102 6.3925 6.3925 7.7469 7.7469 8.2116 8.2116 8.7758 8.7758 10.4270 10.4270 11.3881 11.3881 11.9967 11.9967 k = 0.1707 0.0986-0.0000 ( 2863 PWs) bands (ev): -19.5474 -19.5474 -6.3781 -6.3781 -6.3518 -6.3518 -6.3216 -6.3216 -6.3021 -6.3021 -6.1789 -6.1789 -5.9590 -5.9590 -5.8696 -5.8696 -5.8514 -5.8514 -5.7992 -5.7992 -5.7705 -5.7705 -5.7203 -5.7203 -4.1773 -4.1773 -4.0862 -4.0862 0.1554 0.1554 6.2331 6.2331 7.7299 7.7299 8.1897 8.1897 8.8144 8.8144 10.4213 10.4213 11.4467 11.4467 12.0046 12.0046 k = 0.1829 0.1056-0.0000 ( 2865 PWs) bands (ev): -19.5463 -19.5463 -6.3798 -6.3798 -6.3527 -6.3527 -6.3221 -6.3221 -6.3036 -6.3036 -6.1831 -6.1831 -5.9601 -5.9601 -5.8703 -5.8703 -5.8482 -5.8482 -5.7995 -5.7995 -5.7693 -5.7693 -5.7173 -5.7173 -4.1846 -4.1846 -4.0917 -4.0917 0.2035 0.2035 6.0749 6.0749 7.7128 7.7128 8.1667 8.1667 8.8504 8.8504 10.3995 10.3995 11.5145 11.5145 12.0182 12.0182 k = 0.1951 0.1127-0.0000 ( 2867 PWs) bands (ev): -19.5451 -19.5451 -6.3815 -6.3815 -6.3536 -6.3536 -6.3228 -6.3228 -6.3050 -6.3050 -6.1875 -6.1875 -5.9612 -5.9612 -5.8711 -5.8711 -5.8452 -5.8452 -5.7996 -5.7996 -5.7678 -5.7678 -5.7145 -5.7145 -4.1930 -4.1930 -4.0962 -4.0962 0.2545 0.2545 5.9181 5.9181 7.6956 7.6956 8.1426 8.1426 8.8820 8.8820 10.3726 10.3726 11.5781 11.5781 12.0333 12.0333 k = 0.2073 0.1197-0.0000 ( 2865 PWs) bands (ev): -19.5439 -19.5439 -6.3833 -6.3833 -6.3547 -6.3547 -6.3236 -6.3236 -6.3062 -6.3062 -6.1919 -6.1919 -5.9620 -5.9620 -5.8721 -5.8721 -5.8424 -5.8424 -5.7994 -5.7994 -5.7662 -5.7662 -5.7117 -5.7117 -4.2025 -4.2025 -4.0999 -4.0999 0.3082 0.3082 5.7628 5.7628 7.6787 7.6787 8.1176 8.1176 8.9075 8.9075 10.3488 10.3488 11.6288 11.6288 12.0242 12.0242 k = 0.2195 0.1267-0.0000 ( 2869 PWs) bands (ev): -19.5426 -19.5426 -6.3850 -6.3850 -6.3558 -6.3558 -6.3246 -6.3246 -6.3072 -6.3072 -6.1965 -6.1965 -5.9627 -5.9627 -5.8731 -5.8731 -5.8399 -5.8399 -5.7990 -5.7990 -5.7643 -5.7643 -5.7091 -5.7091 -4.2129 -4.2129 -4.1027 -4.1027 0.3647 0.3647 5.6089 5.6089 7.6620 7.6620 8.0919 8.0919 8.9250 8.9250 10.3336 10.3336 11.6632 11.6632 11.9604 11.9604 k = 0.2317 0.1338-0.0000 ( 2869 PWs) bands (ev): -19.5414 -19.5414 -6.3867 -6.3867 -6.3571 -6.3571 -6.3257 -6.3257 -6.3080 -6.3080 -6.2011 -6.2011 -5.9633 -5.9633 -5.8743 -5.8743 -5.8376 -5.8376 -5.7984 -5.7984 -5.7622 -5.7622 -5.7066 -5.7066 -4.2239 -4.2239 -4.1049 -4.1049 0.4239 0.4239 5.4565 5.4565 7.6457 7.6457 8.0657 8.0657 8.9334 8.9334 10.3307 10.3307 11.6820 11.6820 11.8761 11.8761 k = 0.2439 0.1408-0.0000 ( 2877 PWs) bands (ev): -19.5401 -19.5401 -6.3885 -6.3885 -6.3585 -6.3585 -6.3270 -6.3270 -6.3087 -6.3087 -6.2058 -6.2058 -5.9637 -5.9637 -5.8755 -5.8755 -5.8357 -5.8357 -5.7978 -5.7978 -5.7598 -5.7598 -5.7043 -5.7043 -4.2353 -4.2353 -4.1065 -4.1065 0.4856 0.4856 5.3057 5.3057 7.6299 7.6299 8.0391 8.0391 8.9320 8.9320 10.3420 10.3420 11.6858 11.6858 11.7914 11.7914 k = 0.2561 0.1479-0.0000 ( 2867 PWs) bands (ev): -19.5388 -19.5388 -6.3901 -6.3901 -6.3599 -6.3599 -6.3284 -6.3284 -6.3092 -6.3092 -6.2105 -6.2105 -5.9639 -5.9639 -5.8768 -5.8768 -5.8339 -5.8339 -5.7971 -5.7971 -5.7572 -5.7572 -5.7020 -5.7020 -4.2471 -4.2471 -4.1077 -4.1077 0.5498 0.5498 5.1565 5.1565 7.6147 7.6147 8.0124 8.0124 8.9208 8.9208 10.3681 10.3681 11.6621 11.6621 11.7255 11.7255 k = 0.2683 0.1549-0.0000 ( 2871 PWs) bands (ev): -19.5375 -19.5375 -6.3918 -6.3918 -6.3615 -6.3615 -6.3300 -6.3300 -6.3095 -6.3095 -6.2152 -6.2152 -5.9641 -5.9641 -5.8781 -5.8781 -5.8324 -5.8324 -5.7964 -5.7964 -5.7543 -5.7543 -5.7000 -5.7000 -4.2589 -4.2589 -4.1085 -4.1085 0.6164 0.6164 5.0090 5.0090 7.6002 7.6002 7.9858 7.9858 8.9009 8.9009 10.4082 10.4082 11.5907 11.5907 11.7029 11.7029 k = 0.2805 0.1619-0.0000 ( 2871 PWs) bands (ev): -19.5363 -19.5363 -6.3933 -6.3933 -6.3632 -6.3632 -6.3315 -6.3315 -6.3098 -6.3098 -6.2198 -6.2198 -5.9641 -5.9641 -5.8795 -5.8795 -5.8311 -5.8311 -5.7957 -5.7957 -5.7512 -5.7512 -5.6981 -5.6981 -4.2707 -4.2707 -4.1090 -4.1090 0.6854 0.6854 4.8633 4.8633 7.5864 7.5864 7.9593 7.9593 8.8737 8.8737 10.4607 10.4607 11.5066 11.5066 11.6923 11.6923 k = 0.2927 0.1690-0.0000 ( 2871 PWs) bands (ev): -19.5350 -19.5350 -6.3948 -6.3948 -6.3649 -6.3649 -6.3331 -6.3331 -6.3100 -6.3100 -6.2243 -6.2243 -5.9640 -5.9640 -5.8810 -5.8810 -5.8299 -5.8299 -5.7951 -5.7951 -5.7479 -5.7479 -5.6963 -5.6963 -4.2824 -4.2824 -4.1093 -4.1093 0.7567 0.7567 4.7194 4.7194 7.5734 7.5734 7.9332 7.9332 8.8409 8.8409 10.5234 10.5234 11.4224 11.4224 11.6842 11.6842 k = 0.3049 0.1760-0.0000 ( 2869 PWs) bands (ev): -19.5338 -19.5338 -6.3963 -6.3963 -6.3667 -6.3667 -6.3348 -6.3348 -6.3101 -6.3101 -6.2287 -6.2287 -5.9638 -5.9638 -5.8824 -5.8824 -5.8289 -5.8289 -5.7945 -5.7945 -5.7445 -5.7445 -5.6947 -5.6947 -4.2938 -4.2938 -4.1094 -4.1094 0.8302 0.8302 4.5775 4.5775 7.5613 7.5613 7.9077 7.9077 8.8042 8.8042 10.5939 10.5939 11.3402 11.3402 11.6788 11.6788 k = 0.3171 0.1831-0.0000 ( 2857 PWs) bands (ev): -19.5326 -19.5326 -6.3975 -6.3975 -6.3686 -6.3686 -6.3363 -6.3363 -6.3101 -6.3101 -6.2329 -6.2329 -5.9635 -5.9635 -5.8838 -5.8838 -5.8279 -5.8279 -5.7940 -5.7940 -5.7410 -5.7410 -5.6933 -5.6933 -4.3049 -4.3049 -4.1093 -4.1093 0.9058 0.9058 4.4376 4.4376 7.5500 7.5500 7.8829 7.8829 8.7651 8.7651 10.6693 10.6693 11.2611 11.2611 11.6778 11.6778 k = 0.3293 0.1901-0.0000 ( 2857 PWs) bands (ev): -19.5315 -19.5315 -6.3988 -6.3988 -6.3705 -6.3705 -6.3379 -6.3379 -6.3101 -6.3101 -6.2370 -6.2370 -5.9632 -5.9632 -5.8853 -5.8853 -5.8270 -5.8270 -5.7936 -5.7936 -5.7374 -5.7374 -5.6921 -5.6921 -4.3156 -4.3156 -4.1092 -4.1092 0.9833 0.9833 4.2998 4.2998 7.5396 7.5396 7.8590 7.8590 8.7249 8.7249 10.7464 10.7464 11.1857 11.1857 11.6834 11.6834 k = 0.3415 0.1971-0.0000 ( 2849 PWs) bands (ev): -19.5304 -19.5304 -6.3999 -6.3999 -6.3724 -6.3724 -6.3394 -6.3394 -6.3101 -6.3101 -6.2408 -6.2408 -5.9628 -5.9628 -5.8868 -5.8868 -5.8262 -5.8262 -5.7933 -5.7933 -5.7337 -5.7337 -5.6910 -5.6910 -4.3258 -4.3258 -4.1089 -4.1089 1.0626 1.0626 4.1643 4.1643 7.5301 7.5301 7.8360 7.8360 8.6847 8.6847 10.8218 10.8218 11.1145 11.1145 11.6979 11.6979 k = 0.3537 0.2042-0.0000 ( 2860 PWs) bands (ev): -19.5293 -19.5293 -6.4010 -6.4010 -6.3744 -6.3744 -6.3410 -6.3410 -6.3101 -6.3101 -6.2444 -6.2444 -5.9624 -5.9624 -5.8882 -5.8882 -5.8254 -5.8254 -5.7930 -5.7930 -5.7301 -5.7301 -5.6901 -5.6901 -4.3354 -4.3354 -4.1087 -4.1087 1.1437 1.1437 4.0312 4.0312 7.5214 7.5214 7.8142 7.8142 8.6453 8.6453 10.8912 10.8912 11.0484 11.0484 11.7232 11.7232 k = 0.3659 0.2112-0.0000 ( 2856 PWs) bands (ev): -19.5283 -19.5283 -6.4018 -6.4018 -6.3764 -6.3764 -6.3424 -6.3424 -6.3100 -6.3100 -6.2478 -6.2478 -5.9620 -5.9620 -5.8895 -5.8895 -5.8248 -5.8248 -5.7928 -5.7928 -5.7265 -5.7265 -5.6894 -5.6894 -4.3444 -4.3444 -4.1083 -4.1083 1.2262 1.2262 3.9008 3.9008 7.5137 7.5137 7.7937 7.7937 8.6074 8.6074 10.9434 10.9434 10.9956 10.9956 11.7148 11.7148 k = 0.3780 0.2183-0.0000 ( 2864 PWs) bands (ev): -19.5274 -19.5274 -6.4026 -6.4026 -6.3783 -6.3783 -6.3438 -6.3438 -6.3100 -6.3100 -6.2509 -6.2509 -5.9615 -5.9615 -5.8909 -5.8909 -5.8242 -5.8242 -5.7927 -5.7927 -5.7230 -5.7230 -5.6890 -5.6890 -4.3528 -4.3528 -4.1080 -4.1080 1.3099 1.3099 3.7733 3.7733 7.5068 7.5068 7.7746 7.7746 8.5716 8.5716 10.9178 10.9178 11.0146 11.0146 11.6972 11.6972 k = 0.3902 0.2253-0.0000 ( 2864 PWs) bands (ev): -19.5265 -19.5265 -6.4033 -6.4033 -6.3802 -6.3802 -6.3451 -6.3451 -6.3100 -6.3100 -6.2537 -6.2537 -5.9610 -5.9610 -5.8921 -5.8921 -5.8236 -5.8236 -5.7926 -5.7926 -5.7196 -5.7196 -5.6887 -5.6887 -4.3605 -4.3605 -4.1076 -4.1076 1.3944 1.3944 3.6491 3.6491 7.5007 7.5007 7.7569 7.7569 8.5382 8.5382 10.8673 10.8673 11.0518 11.0518 11.6810 11.6810 k = 0.4024 0.2323-0.0000 ( 2868 PWs) bands (ev): -19.5258 -19.5258 -6.4038 -6.4038 -6.3820 -6.3820 -6.3462 -6.3462 -6.3099 -6.3099 -6.2563 -6.2563 -5.9605 -5.9605 -5.8933 -5.8933 -5.8231 -5.8231 -5.7926 -5.7926 -5.7163 -5.7163 -5.6886 -5.6886 -4.3675 -4.3675 -4.1073 -4.1073 1.4792 1.4792 3.5288 3.5288 7.4955 7.4955 7.7408 7.7408 8.5077 8.5077 10.8198 10.8198 11.0802 11.0802 11.6664 11.6664 k = 0.4146 0.2394-0.0000 ( 2860 PWs) bands (ev): -19.5251 -19.5251 -6.4041 -6.4041 -6.3837 -6.3837 -6.3473 -6.3473 -6.3098 -6.3098 -6.2585 -6.2585 -5.9600 -5.9600 -5.8944 -5.8944 -5.8226 -5.8226 -5.7925 -5.7925 -5.7131 -5.7131 -5.6887 -5.6887 -4.3737 -4.3737 -4.1069 -4.1069 1.5638 1.5638 3.4129 3.4129 7.4910 7.4910 7.7264 7.7264 8.4803 8.4803 10.7773 10.7773 11.1001 11.1001 11.6534 11.6534 k = 0.4268 0.2464-0.0000 ( 2856 PWs) bands (ev): -19.5244 -19.5244 -6.4044 -6.4044 -6.3852 -6.3852 -6.3483 -6.3483 -6.3098 -6.3098 -6.2605 -6.2605 -5.9596 -5.9596 -5.8953 -5.8953 -5.8222 -5.8222 -5.7925 -5.7925 -5.7100 -5.7100 -5.6890 -5.6890 -4.3791 -4.3791 -4.1066 -4.1066 1.6470 1.6470 3.3025 3.3025 7.4872 7.4872 7.7138 7.7138 8.4562 8.4562 10.7399 10.7399 11.1134 11.1134 11.6421 11.6421 k = 0.4390 0.2535-0.0000 ( 2856 PWs) bands (ev): -19.5239 -19.5239 -6.4046 -6.4046 -6.3866 -6.3866 -6.3491 -6.3491 -6.3097 -6.3097 -6.2622 -6.2622 -5.9592 -5.9592 -5.8961 -5.8961 -5.8219 -5.8219 -5.7925 -5.7925 -5.7072 -5.7072 -5.6896 -5.6896 -4.3837 -4.3837 -4.1063 -4.1063 1.7275 1.7275 3.1990 3.1990 7.4841 7.4841 7.7029 7.7029 8.4356 8.4356 10.7081 10.7081 11.1219 11.1219 11.6325 11.6325 k = 0.4512 0.2605-0.0000 ( 2864 PWs) bands (ev): -19.5235 -19.5235 -6.4047 -6.4047 -6.3879 -6.3879 -6.3498 -6.3498 -6.3097 -6.3097 -6.2635 -6.2635 -5.9589 -5.9589 -5.8968 -5.8968 -5.8216 -5.8216 -5.7925 -5.7925 -5.7045 -5.7045 -5.6904 -5.6904 -4.3876 -4.3876 -4.1061 -4.1061 1.8031 1.8031 3.1045 3.1045 7.4816 7.4816 7.6939 7.6939 8.4185 8.4185 10.6819 10.6819 11.1272 11.1272 11.6246 11.6246 k = 0.4634 0.2676-0.0000 ( 2866 PWs) bands (ev): -19.5231 -19.5231 -6.4047 -6.4047 -6.3889 -6.3889 -6.3504 -6.3504 -6.3097 -6.3097 -6.2646 -6.2646 -5.9587 -5.9587 -5.8974 -5.8974 -5.8213 -5.8213 -5.7925 -5.7925 -5.7020 -5.7020 -5.6914 -5.6914 -4.3905 -4.3905 -4.1059 -4.1059 1.8706 1.8706 3.0224 3.0224 7.4797 7.4797 7.6869 7.6869 8.4052 8.4052 10.6613 10.6613 11.1304 11.1304 11.6184 11.6184 k = 0.4756 0.2746-0.0000 ( 2868 PWs) bands (ev): -19.5229 -19.5229 -6.4047 -6.4047 -6.3896 -6.3896 -6.3508 -6.3508 -6.3097 -6.3097 -6.2654 -6.2654 -5.9585 -5.9585 -5.8978 -5.8978 -5.8212 -5.8212 -5.7925 -5.7925 -5.6997 -5.6997 -5.6926 -5.6926 -4.3927 -4.3927 -4.1058 -4.1058 1.9254 1.9254 2.9571 2.9571 7.4784 7.4784 7.6819 7.6819 8.3956 8.3956 10.6466 10.6466 11.1321 11.1321 11.6140 11.6140 k = 0.4878 0.2816-0.0000 ( 2864 PWs) bands (ev): -19.5227 -19.5227 -6.4047 -6.4047 -6.3901 -6.3901 -6.3511 -6.3511 -6.3096 -6.3096 -6.2658 -6.2658 -5.9584 -5.9584 -5.8980 -5.8980 -5.8211 -5.8211 -5.7926 -5.7926 -5.6976 -5.6976 -5.6940 -5.6940 -4.3940 -4.3940 -4.1057 -4.1057 1.9620 1.9620 2.9142 2.9142 7.4776 7.4776 7.6788 7.6788 8.3898 8.3898 10.6378 10.6378 11.1330 11.1330 11.6113 11.6113 k = 0.5000 0.2887-0.0000 ( 2868 PWs) bands (ev): -19.5227 -19.5227 -6.4047 -6.4047 -6.3903 -6.3903 -6.3511 -6.3511 -6.3096 -6.3096 -6.2660 -6.2660 -5.9583 -5.9583 -5.8981 -5.8981 -5.8211 -5.8211 -5.7926 -5.7926 -5.6962 -5.6962 -5.6952 -5.6952 -4.3944 -4.3944 -4.1056 -4.1056 1.9749 1.9749 2.8992 2.8992 7.4774 7.4774 7.6778 7.6778 8.3879 8.3879 10.6349 10.6349 11.1332 11.1332 11.6104 11.6104 k = 0.5000 0.2887-0.0000 ( 2868 PWs) bands (ev): -19.5227 -19.5227 -6.4047 -6.4047 -6.3903 -6.3903 -6.3511 -6.3511 -6.3096 -6.3096 -6.2660 -6.2660 -5.9583 -5.9583 -5.8981 -5.8981 -5.8211 -5.8211 -5.7926 -5.7926 -5.6962 -5.6962 -5.6952 -5.6952 -4.3944 -4.3944 -4.1056 -4.1056 1.9749 1.9749 2.8992 2.8992 7.4774 7.4774 7.6778 7.6778 8.3879 8.3879 10.6349 10.6349 11.1332 11.1332 11.6104 11.6104 k = 0.4931 0.3007-0.0000 ( 2864 PWs) bands (ev): -19.5227 -19.5227 -6.4049 -6.4049 -6.3901 -6.3901 -6.3512 -6.3512 -6.3098 -6.3098 -6.2657 -6.2657 -5.9583 -5.9583 -5.8981 -5.8981 -5.8210 -5.8210 -5.7925 -5.7925 -5.6986 -5.6986 -5.6928 -5.6928 -4.3944 -4.3944 -4.1059 -4.1059 1.9761 1.9761 2.8999 2.8999 7.4789 7.4789 7.6486 7.6486 8.4153 8.4153 10.6126 10.6126 11.1417 11.1417 11.6355 11.6355 k = 0.4861 0.3127-0.0000 ( 2860 PWs) bands (ev): -19.5226 -19.5226 -6.4054 -6.4054 -6.3897 -6.3897 -6.3514 -6.3514 -6.3102 -6.3102 -6.2651 -6.2651 -5.9583 -5.9583 -5.8982 -5.8982 -5.8210 -5.8210 -5.7922 -5.7922 -5.7015 -5.7015 -5.6899 -5.6899 -4.3942 -4.3942 -4.1068 -4.1068 1.9798 1.9798 2.9022 2.9022 7.4832 7.4832 7.5718 7.5718 8.4868 8.4868 10.5519 10.5519 11.1669 11.1669 11.7048 11.7048 k = 0.4792 0.3248-0.0000 ( 2860 PWs) bands (ev): -19.5226 -19.5226 -6.4062 -6.4062 -6.3891 -6.3891 -6.3517 -6.3517 -6.3109 -6.3109 -6.2642 -6.2642 -5.9582 -5.9582 -5.8984 -5.8984 -5.8209 -5.8209 -5.7919 -5.7919 -5.7044 -5.7044 -5.6871 -5.6871 -4.3941 -4.3941 -4.1083 -4.1083 1.9858 1.9858 2.9058 2.9058 7.4644 7.4644 7.4923 7.4923 8.5836 8.5836 10.4645 10.4645 11.2086 11.2086 11.8064 11.8064 k = 0.4722 0.3368-0.0000 ( 2860 PWs) bands (ev): -19.5224 -19.5224 -6.4073 -6.4073 -6.3883 -6.3883 -6.3522 -6.3522 -6.3117 -6.3117 -6.2630 -6.2630 -5.9582 -5.9582 -5.8986 -5.8986 -5.8208 -5.8208 -5.7915 -5.7915 -5.7073 -5.7073 -5.6843 -5.6843 -4.3938 -4.3938 -4.1103 -4.1103 1.9943 1.9943 2.9108 2.9108 7.3441 7.3441 7.5019 7.5019 8.6929 8.6929 10.3613 10.3613 11.2663 11.2663 11.9293 11.9293 k = 0.4653 0.3488-0.0000 ( 2856 PWs) bands (ev): -19.5223 -19.5223 -6.4084 -6.4084 -6.3874 -6.3874 -6.3528 -6.3528 -6.3127 -6.3127 -6.2615 -6.2615 -5.9581 -5.9581 -5.8988 -5.8988 -5.8207 -5.8207 -5.7910 -5.7910 -5.7102 -5.7102 -5.6815 -5.6815 -4.3935 -4.3935 -4.1127 -4.1127 2.0052 2.0052 2.9169 2.9169 7.2149 7.2149 7.5155 7.5155 8.8075 8.8075 10.2494 10.2494 11.3394 11.3394 12.0658 12.0658 k = 0.4583 0.3608-0.0000 ( 2856 PWs) bands (ev): -19.5221 -19.5221 -6.4096 -6.4096 -6.3866 -6.3866 -6.3536 -6.3536 -6.3137 -6.3137 -6.2598 -6.2598 -5.9579 -5.9579 -5.8992 -5.8992 -5.8205 -5.8205 -5.7905 -5.7905 -5.7130 -5.7130 -5.6788 -5.6788 -4.3931 -4.3931 -4.1157 -4.1157 2.0186 2.0186 2.9239 2.9239 7.0818 7.0818 7.5320 7.5320 8.9241 8.9241 10.1331 10.1331 11.4269 11.4269 12.1998 12.1998 k = 0.4514 0.3729-0.0000 ( 2852 PWs) bands (ev): -19.5220 -19.5220 -6.4109 -6.4109 -6.3857 -6.3857 -6.3545 -6.3545 -6.3147 -6.3147 -6.2581 -6.2581 -5.9578 -5.9578 -5.8996 -5.8996 -5.8202 -5.8202 -5.7898 -5.7898 -5.7158 -5.7158 -5.6762 -5.6762 -4.3927 -4.3927 -4.1190 -4.1190 2.0344 2.0344 2.9316 2.9316 6.9474 6.9474 7.5517 7.5517 9.0408 9.0408 10.0150 10.0150 11.5275 11.5275 12.1493 12.1493 k = 0.4444 0.3849-0.0000 ( 2860 PWs) bands (ev): -19.5217 -19.5217 -6.4123 -6.4123 -6.3848 -6.3848 -6.3555 -6.3555 -6.3157 -6.3157 -6.2563 -6.2563 -5.9576 -5.9576 -5.9001 -5.9001 -5.8198 -5.8198 -5.7892 -5.7892 -5.7185 -5.7185 -5.6736 -5.6736 -4.3923 -4.3923 -4.1227 -4.1227 2.0526 2.0526 2.9397 2.9397 6.8135 6.8135 7.5743 7.5743 9.1568 9.1568 9.8969 9.8969 11.6394 11.6394 12.0566 12.0566 k = 0.4375 0.3969-0.0000 ( 2854 PWs) bands (ev): -19.5215 -19.5215 -6.4136 -6.4136 -6.3840 -6.3840 -6.3567 -6.3567 -6.3166 -6.3166 -6.2546 -6.2546 -5.9573 -5.9573 -5.9007 -5.9007 -5.8193 -5.8193 -5.7885 -5.7885 -5.7212 -5.7212 -5.6711 -5.6711 -4.3919 -4.3919 -4.1266 -4.1266 2.0733 2.0733 2.9479 2.9479 6.6815 6.6815 7.5999 7.5999 9.2716 9.2716 9.7801 9.7801 11.7598 11.7598 11.9641 11.9641 k = 0.4306 0.4090-0.0000 ( 2854 PWs) bands (ev): -19.5213 -19.5213 -6.4149 -6.4149 -6.3833 -6.3833 -6.3579 -6.3579 -6.3174 -6.3174 -6.2528 -6.2528 -5.9570 -5.9570 -5.9013 -5.9013 -5.8188 -5.8188 -5.7878 -5.7878 -5.7238 -5.7238 -5.6687 -5.6687 -4.3915 -4.3915 -4.1307 -4.1307 2.0965 2.0965 2.9555 2.9555 6.5525 6.5525 7.6285 7.6285 9.3844 9.3844 9.6660 9.6660 11.8536 11.8536 11.9060 11.9060 k = 0.4236 0.4210-0.0000 ( 2862 PWs) bands (ev): -19.5210 -19.5210 -6.4162 -6.4162 -6.3827 -6.3827 -6.3593 -6.3593 -6.3181 -6.3180 -6.2511 -6.2511 -5.9567 -5.9567 -5.9021 -5.9021 -5.8181 -5.8181 -5.7871 -5.7871 -5.7263 -5.7263 -5.6665 -5.6665 -4.3912 -4.3912 -4.1349 -4.1349 2.1221 2.1221 2.9623 2.9623 6.4274 6.4274 7.6601 7.6601 9.4834 9.4834 9.5672 9.5672 11.7748 11.7748 12.0249 12.0249 k = 0.4167 0.4330-0.0000 ( 2863 PWs) bands (ev): -19.5208 -19.5208 -6.4174 -6.4174 -6.3822 -6.3822 -6.3606 -6.3606 -6.3186 -6.3186 -6.2496 -6.2496 -5.9563 -5.9563 -5.9029 -5.9029 -5.8174 -5.8174 -5.7864 -5.7864 -5.7287 -5.7287 -5.6643 -5.6643 -4.3909 -4.3909 -4.1391 -4.1391 2.1502 2.1502 2.9676 2.9676 6.3072 6.3072 7.6947 7.6947 9.4289 9.4289 9.6240 9.6240 11.6866 11.6866 12.1528 12.1528 k = 0.4097 0.4450-0.0000 ( 2859 PWs) bands (ev): -19.5205 -19.5205 -6.4185 -6.4185 -6.3817 -6.3817 -6.3620 -6.3620 -6.3191 -6.3191 -6.2481 -6.2481 -5.9558 -5.9558 -5.9038 -5.9038 -5.8166 -5.8166 -5.7858 -5.7858 -5.7310 -5.7310 -5.6622 -5.6622 -4.3907 -4.3907 -4.1433 -4.1433 2.1808 2.1808 2.9709 2.9709 6.1928 6.1928 7.7323 7.7323 9.3234 9.3234 9.7343 9.7343 11.6000 11.6000 12.2708 12.2708 k = 0.4028 0.4571-0.0000 ( 2867 PWs) bands (ev): -19.5202 -19.5202 -6.4196 -6.4196 -6.3814 -6.3814 -6.3634 -6.3634 -6.3194 -6.3194 -6.2468 -6.2468 -5.9553 -5.9553 -5.9047 -5.9047 -5.8158 -5.8158 -5.7851 -5.7851 -5.7331 -5.7331 -5.6604 -5.6604 -4.3905 -4.3905 -4.1473 -4.1473 2.2139 2.2139 2.9714 2.9714 6.0850 6.0850 7.7728 7.7728 9.2183 9.2183 9.8472 9.8472 11.5158 11.5158 12.3678 12.3678 k = 0.3958 0.4691-0.0000 ( 2865 PWs) bands (ev): -19.5199 -19.5199 -6.4205 -6.4205 -6.3811 -6.3811 -6.3647 -6.3647 -6.3197 -6.3197 -6.2456 -6.2456 -5.9548 -5.9548 -5.9056 -5.9056 -5.8150 -5.8150 -5.7846 -5.7846 -5.7351 -5.7351 -5.6586 -5.6586 -4.3905 -4.3905 -4.1511 -4.1511 2.2495 2.2495 2.9685 2.9685 5.9849 5.9849 7.8162 7.8162 9.1156 9.1156 9.9608 9.9608 11.4343 11.4343 12.4324 12.4324 k = 0.3889 0.4811-0.0000 ( 2869 PWs) bands (ev): -19.5197 -19.5197 -6.4214 -6.4214 -6.3810 -6.3810 -6.3659 -6.3659 -6.3199 -6.3199 -6.2446 -6.2446 -5.9542 -5.9542 -5.9066 -5.9066 -5.8142 -5.8142 -5.7840 -5.7840 -5.7369 -5.7369 -5.6569 -5.6569 -4.3906 -4.3906 -4.1546 -4.1546 2.2876 2.2876 2.9614 2.9614 5.8932 5.8932 7.8626 7.8626 9.0159 9.0159 10.0746 10.0746 11.3558 11.3558 12.4593 12.4593 k = 0.3819 0.4932-0.0000 ( 2869 PWs) bands (ev): -19.5195 -19.5195 -6.4222 -6.4222 -6.3809 -6.3809 -6.3670 -6.3670 -6.3200 -6.3200 -6.2437 -6.2437 -5.9536 -5.9536 -5.9076 -5.9076 -5.8134 -5.8134 -5.7835 -5.7835 -5.7385 -5.7385 -5.6555 -5.6555 -4.3907 -4.3907 -4.1577 -4.1577 2.3282 2.3282 2.9495 2.9495 5.8107 5.8107 7.9120 7.9120 8.9192 8.9192 10.1880 10.1880 11.2802 11.2802 12.4524 12.4524 k = 0.3750 0.5052-0.0000 ( 2869 PWs) bands (ev): -19.5192 -19.5192 -6.4229 -6.4229 -6.3810 -6.3810 -6.3680 -6.3680 -6.3201 -6.3201 -6.2429 -6.2429 -5.9530 -5.9530 -5.9085 -5.9085 -5.8126 -5.8126 -5.7831 -5.7831 -5.7399 -5.7399 -5.6542 -5.6542 -4.3910 -4.3910 -4.1605 -4.1605 2.3714 2.3714 2.9321 2.9321 5.7383 5.7383 7.9642 7.9642 8.8259 8.8259 10.3003 10.3003 11.2079 11.2079 12.4218 12.4218 k = 0.3681 0.5172-0.0000 ( 2869 PWs) bands (ev): -19.5190 -19.5190 -6.4234 -6.4234 -6.3811 -6.3811 -6.3688 -6.3688 -6.3202 -6.3202 -6.2423 -6.2423 -5.9525 -5.9525 -5.9093 -5.9093 -5.8119 -5.8119 -5.7827 -5.7827 -5.7411 -5.7411 -5.6531 -5.6531 -4.3913 -4.3913 -4.1629 -4.1629 2.4170 2.4170 2.9086 2.9086 5.6765 5.6765 8.0193 8.0193 8.7358 8.7358 10.4105 10.4105 11.1389 11.1389 12.3778 12.3778 k = 0.3611 0.5292-0.0000 ( 2873 PWs) bands (ev): -19.5188 -19.5188 -6.4239 -6.4239 -6.3812 -6.3812 -6.3695 -6.3695 -6.3202 -6.3202 -6.2418 -6.2418 -5.9520 -5.9520 -5.9101 -5.9101 -5.8114 -5.8114 -5.7825 -5.7825 -5.7421 -5.7421 -5.6522 -5.6522 -4.3916 -4.3916 -4.1649 -4.1649 2.4651 2.4651 2.8787 2.8787 5.6257 5.6257 8.0773 8.0773 8.6492 8.6492 10.5167 10.5167 11.0732 11.0732 12.3285 12.3285 k = 0.3542 0.5413-0.0000 ( 2881 PWs) bands (ev): -19.5187 -19.5187 -6.4243 -6.4243 -6.3814 -6.3814 -6.3701 -6.3701 -6.3202 -6.3202 -6.2415 -6.2415 -5.9516 -5.9516 -5.9107 -5.9107 -5.8110 -5.8110 -5.7822 -5.7822 -5.7429 -5.7429 -5.6515 -5.6515 -4.3919 -4.3919 -4.1664 -4.1664 2.5155 2.5155 2.8423 2.8423 5.5864 5.5864 8.1381 8.1381 8.5661 8.5661 10.6167 10.6167 11.0111 11.0111 12.2804 12.2804 k = 0.3472 0.5533-0.0000 ( 2877 PWs) bands (ev): -19.5186 -19.5186 -6.4245 -6.4245 -6.3815 -6.3815 -6.3704 -6.3704 -6.3202 -6.3202 -6.2413 -6.2413 -5.9512 -5.9512 -5.9112 -5.9112 -5.8106 -5.8106 -5.7820 -5.7820 -5.7434 -5.7434 -5.6510 -5.6510 -4.3922 -4.3922 -4.1674 -4.1674 2.5678 2.5678 2.7996 2.7996 5.5586 5.5586 8.2017 8.2017 8.4865 8.4865 10.7073 10.7073 10.9527 10.9527 12.2394 12.2394 k = 0.3403 0.5653-0.0000 ( 2879 PWs) bands (ev): -19.5185 -19.5185 -6.4247 -6.4247 -6.3817 -6.3817 -6.3706 -6.3706 -6.3202 -6.3202 -6.2412 -6.2412 -5.9510 -5.9510 -5.9115 -5.9115 -5.8104 -5.8104 -5.7819 -5.7819 -5.7437 -5.7437 -5.6507 -5.6507 -4.3925 -4.3925 -4.1680 -4.1680 2.6205 2.6205 2.7525 2.7525 5.5422 5.5422 8.2681 8.2681 8.4106 8.4106 10.7839 10.7839 10.8985 10.8985 12.2110 12.2110 k = 0.3333 0.5774-0.0000 ( 2859 PWs) bands (ev): -19.5185 -19.5185 -6.4247 -6.4247 -6.3817 -6.3817 -6.3707 -6.3707 -6.3201 -6.3201 -6.2411 -6.2411 -5.9509 -5.9509 -5.9116 -5.9116 -5.8103 -5.8103 -5.7818 -5.7818 -5.7437 -5.7437 -5.6506 -5.6506 -4.3926 -4.3926 -4.1682 -4.1682 2.6560 2.6560 2.7187 2.7187 5.5368 5.5368 8.3311 8.3311 8.3444 8.3444 10.8318 10.8318 10.8591 10.8591 12.2005 12.2005 k = 0.3333 0.5774-0.0000 ( 2859 PWs) bands (ev): -19.5185 -19.5185 -6.4247 -6.4247 -6.3817 -6.3817 -6.3707 -6.3707 -6.3201 -6.3201 -6.2411 -6.2411 -5.9509 -5.9509 -5.9116 -5.9116 -5.8103 -5.8103 -5.7818 -5.7818 -5.7437 -5.7437 -5.6506 -5.6506 -4.3926 -4.3926 -4.1682 -4.1682 2.6560 2.6560 2.7187 2.7187 5.5368 5.5368 8.3311 8.3311 8.3444 8.3444 10.8318 10.8318 10.8591 10.8591 12.2005 12.2005 k = 0.3264 0.5653-0.0000 ( 2873 PWs) bands (ev): -19.5185 -19.5185 -6.4247 -6.4247 -6.3816 -6.3816 -6.3706 -6.3706 -6.3202 -6.3202 -6.2412 -6.2412 -5.9510 -5.9510 -5.9115 -5.9115 -5.8104 -5.8104 -5.7819 -5.7819 -5.7437 -5.7437 -5.6507 -5.6507 -4.3924 -4.3924 -4.1681 -4.1681 2.6168 2.6168 2.7564 2.7564 5.5420 5.5420 8.2685 8.2685 8.4102 8.4102 10.7956 10.7956 10.8858 10.8858 12.2121 12.2121 k = 0.3194 0.5533-0.0000 ( 2871 PWs) bands (ev): -19.5186 -19.5186 -6.4245 -6.4245 -6.3815 -6.3815 -6.3704 -6.3704 -6.3202 -6.3202 -6.2412 -6.2412 -5.9512 -5.9512 -5.9112 -5.9112 -5.8106 -5.8106 -5.7820 -5.7820 -5.7434 -5.7434 -5.6510 -5.6510 -4.3921 -4.3921 -4.1675 -4.1675 2.5519 2.5519 2.8169 2.8169 5.5572 5.5572 8.2034 8.2034 8.4849 8.4849 10.7525 10.7525 10.8997 10.8997 12.2479 12.2479 k = 0.3125 0.5413-0.0000 ( 2871 PWs) bands (ev): -19.5187 -19.5187 -6.4243 -6.4243 -6.3813 -6.3813 -6.3700 -6.3700 -6.3202 -6.3202 -6.2413 -6.2413 -5.9516 -5.9516 -5.9106 -5.9106 -5.8108 -5.8108 -5.7822 -5.7822 -5.7431 -5.7431 -5.6515 -5.6515 -4.3915 -4.3915 -4.1666 -4.1666 2.4800 2.4800 2.8825 2.8825 5.5817 5.5817 8.1417 8.1417 8.5624 8.5624 10.7126 10.7126 10.8914 10.8914 12.3069 12.3069 k = 0.3056 0.5292-0.0000 ( 2871 PWs) bands (ev): -19.5189 -19.5189 -6.4239 -6.4239 -6.3809 -6.3809 -6.3694 -6.3694 -6.3203 -6.3203 -6.2415 -6.2415 -5.9522 -5.9522 -5.9099 -5.9099 -5.8112 -5.8112 -5.7824 -5.7824 -5.7426 -5.7426 -5.6523 -5.6523 -4.3905 -4.3905 -4.1655 -4.1655 2.4033 2.4033 2.9515 2.9515 5.6148 5.6148 8.0836 8.0836 8.6427 8.6427 10.6763 10.6763 10.8634 10.8634 12.3853 12.3853 k = 0.2986 0.5172-0.0000 ( 2873 PWs) bands (ev): -19.5192 -19.5192 -6.4235 -6.4235 -6.3805 -6.3805 -6.3687 -6.3687 -6.3203 -6.3203 -6.2416 -6.2416 -5.9528 -5.9528 -5.9090 -5.9090 -5.8116 -5.8116 -5.7828 -5.7828 -5.7421 -5.7421 -5.6532 -5.6532 -4.3892 -4.3892 -4.1641 -4.1641 2.3230 2.3230 3.0233 3.0233 5.6559 5.6559 8.0292 8.0292 8.7256 8.7256 10.6438 10.6438 10.8198 10.8198 12.4780 12.4780 k = 0.2917 0.5052-0.0000 ( 2873 PWs) bands (ev): -19.5195 -19.5195 -6.4229 -6.4229 -6.3800 -6.3800 -6.3677 -6.3677 -6.3204 -6.3204 -6.2417 -6.2417 -5.9536 -5.9536 -5.9079 -5.9079 -5.8121 -5.8121 -5.7832 -5.7832 -5.7416 -5.7416 -5.6543 -5.6543 -4.3874 -4.3874 -4.1624 -4.1624 2.2398 2.2398 3.0980 3.0980 5.7041 5.7041 7.9783 7.9783 8.8112 8.8112 10.6151 10.6151 10.7645 10.7645 12.5796 12.5796 k = 0.2847 0.4932-0.0000 ( 2867 PWs) bands (ev): -19.5199 -19.5199 -6.4222 -6.4222 -6.3794 -6.3794 -6.3664 -6.3664 -6.3205 -6.3205 -6.2417 -6.2417 -5.9544 -5.9544 -5.9067 -5.9067 -5.8125 -5.8125 -5.7837 -5.7837 -5.7410 -5.7410 -5.6556 -5.6556 -4.3852 -4.3852 -4.1607 -4.1607 2.1544 2.1544 3.1756 3.1756 5.7590 5.7590 7.9310 7.9310 8.8994 8.8994 10.5900 10.5900 10.7011 10.7011 12.6842 12.6842 k = 0.2778 0.4811-0.0000 ( 2871 PWs) bands (ev): -19.5203 -19.5203 -6.4215 -6.4215 -6.3788 -6.3788 -6.3650 -6.3650 -6.3206 -6.3206 -6.2417 -6.2417 -5.9553 -5.9553 -5.9054 -5.9054 -5.8131 -5.8131 -5.7842 -5.7842 -5.7406 -5.7406 -5.6571 -5.6571 -4.3825 -4.3825 -4.1587 -4.1587 2.0673 2.0673 3.2558 3.2558 5.8198 5.8198 7.8872 7.8872 8.9902 8.9902 10.5676 10.5676 10.6328 10.6328 12.7862 12.7862 k = 0.2708 0.4691-0.0000 ( 2871 PWs) bands (ev): -19.5208 -19.5208 -6.4207 -6.4207 -6.3781 -6.3781 -6.3632 -6.3632 -6.3207 -6.3207 -6.2416 -6.2416 -5.9563 -5.9563 -5.9040 -5.9040 -5.8136 -5.8136 -5.7848 -5.7848 -5.7401 -5.7401 -5.6588 -5.6588 -4.3793 -4.3793 -4.1567 -4.1567 1.9792 1.9792 3.3389 3.3389 5.8860 5.8860 7.8469 7.8469 9.0834 9.0834 10.5391 10.5391 10.5706 10.5706 12.8788 12.8788 k = 0.2639 0.4571-0.0000 ( 2873 PWs) bands (ev): -19.5214 -19.5214 -6.4197 -6.4197 -6.3775 -6.3775 -6.3613 -6.3613 -6.3208 -6.3208 -6.2414 -6.2414 -5.9573 -5.9573 -5.9025 -5.9025 -5.8141 -5.8141 -5.7855 -5.7855 -5.7398 -5.7398 -5.6606 -5.6606 -4.3756 -4.3756 -4.1545 -4.1545 1.8904 1.8904 3.4246 3.4246 5.9571 5.9571 7.8101 7.8101 9.1791 9.1791 10.4743 10.4743 10.5460 10.5460 12.9541 12.9541 k = 0.2569 0.4450-0.0000 ( 2871 PWs) bands (ev): -19.5220 -19.5220 -6.4186 -6.4186 -6.3768 -6.3768 -6.3591 -6.3591 -6.3209 -6.3209 -6.2410 -6.2410 -5.9583 -5.9583 -5.9010 -5.9010 -5.8146 -5.8146 -5.7863 -5.7863 -5.7396 -5.7396 -5.6626 -5.6626 -4.3713 -4.3713 -4.1523 -4.1523 1.8014 1.8014 3.5132 3.5132 6.0327 6.0327 7.7768 7.7768 9.2773 9.2773 10.3978 10.3978 10.5355 10.5355 13.0024 13.0024 k = 0.2500 0.4330-0.0000 ( 2867 PWs) bands (ev): -19.5227 -19.5227 -6.4174 -6.4174 -6.3760 -6.3760 -6.3567 -6.3567 -6.3211 -6.3211 -6.2405 -6.2405 -5.9592 -5.9592 -5.8994 -5.8994 -5.8151 -5.8151 -5.7871 -5.7871 -5.7396 -5.7396 -5.6646 -5.6646 -4.3664 -4.3664 -4.1501 -4.1501 1.7124 1.7124 3.6045 3.6045 6.1122 6.1122 7.7468 7.7468 9.3777 9.3777 10.3193 10.3193 10.5301 10.5301 13.0141 13.0141 k = 0.2431 0.4210-0.0000 ( 2863 PWs) bands (ev): -19.5235 -19.5235 -6.4162 -6.4162 -6.3753 -6.3753 -6.3541 -6.3541 -6.3212 -6.3212 -6.2399 -6.2399 -5.9601 -5.9601 -5.8978 -5.8978 -5.8156 -5.8156 -5.7879 -5.7879 -5.7397 -5.7397 -5.6668 -5.6668 -4.3610 -4.3610 -4.1479 -4.1479 1.6239 1.6239 3.6985 3.6985 6.1953 6.1953 7.7202 7.7202 9.4803 9.4803 10.2403 10.2403 10.5290 10.5290 12.9843 12.9843 k = 0.2361 0.4090-0.0000 ( 2871 PWs) bands (ev): -19.5243 -19.5243 -6.4148 -6.4148 -6.3745 -6.3745 -6.3514 -6.3514 -6.3214 -6.3214 -6.2390 -6.2390 -5.9611 -5.9611 -5.8962 -5.8962 -5.8162 -5.8162 -5.7889 -5.7889 -5.7400 -5.7400 -5.6691 -5.6691 -4.3551 -4.3551 -4.1457 -4.1457 1.5360 1.5360 3.7953 3.7953 6.2817 6.2817 7.6968 7.6968 9.5850 9.5850 10.1615 10.1615 10.5319 10.5319 12.9174 12.9174 k = 0.2292 0.3969-0.0000 ( 2865 PWs) bands (ev): -19.5252 -19.5252 -6.4133 -6.4133 -6.3736 -6.3736 -6.3486 -6.3486 -6.3215 -6.3215 -6.2380 -6.2380 -5.9619 -5.9619 -5.8945 -5.8945 -5.8167 -5.8167 -5.7898 -5.7898 -5.7405 -5.7405 -5.6714 -5.6714 -4.3485 -4.3485 -4.1434 -4.1434 1.4490 1.4490 3.8949 3.8949 6.3708 6.3708 7.6766 7.6766 9.6914 9.6914 10.0837 10.0837 10.5388 10.5388 12.8235 12.8235 k = 0.2222 0.3849-0.0000 ( 2869 PWs) bands (ev): -19.5261 -19.5261 -6.4118 -6.4118 -6.3727 -6.3727 -6.3457 -6.3457 -6.3216 -6.3216 -6.2367 -6.2367 -5.9627 -5.9627 -5.8929 -5.8929 -5.8172 -5.8172 -5.7908 -5.7908 -5.7412 -5.7412 -5.6738 -5.6738 -4.3415 -4.3415 -4.1413 -4.1413 1.3632 1.3632 3.9972 3.9972 6.4625 6.4625 7.6595 7.6595 9.7981 9.7981 10.0083 10.0083 10.5495 10.5495 12.7128 12.7128 k = 0.2153 0.3729-0.0000 ( 2869 PWs) bands (ev): -19.5271 -19.5271 -6.4102 -6.4102 -6.3717 -6.3717 -6.3427 -6.3427 -6.3217 -6.3217 -6.2352 -6.2352 -5.9634 -5.9634 -5.8913 -5.8913 -5.8178 -5.8178 -5.7919 -5.7919 -5.7421 -5.7421 -5.6762 -5.6762 -4.3338 -4.3338 -4.1391 -4.1391 1.2786 1.2786 4.1022 4.1022 6.5563 6.5563 7.6455 7.6455 9.8857 9.8857 9.9549 9.9549 10.5641 10.5641 12.5927 12.5927 k = 0.2083 0.3608-0.0000 ( 2869 PWs) bands (ev): -19.5282 -19.5282 -6.4085 -6.4085 -6.3706 -6.3706 -6.3398 -6.3398 -6.3218 -6.3218 -6.2335 -6.2335 -5.9640 -5.9640 -5.8897 -5.8897 -5.8184 -5.8184 -5.7930 -5.7930 -5.7433 -5.7433 -5.6787 -5.6787 -4.3257 -4.3257 -4.1370 -4.1370 1.1954 1.1954 4.2100 4.2100 6.6518 6.6518 7.6344 7.6344 9.8431 9.8431 10.0347 10.0347 10.5824 10.5824 12.4683 12.4683 k = 0.2014 0.3488-0.0000 ( 2869 PWs) bands (ev): -19.5293 -19.5293 -6.4067 -6.4067 -6.3695 -6.3695 -6.3368 -6.3368 -6.3219 -6.3219 -6.2314 -6.2314 -5.9646 -5.9646 -5.8880 -5.8880 -5.8190 -5.8190 -5.7940 -5.7940 -5.7446 -5.7446 -5.6811 -5.6811 -4.3171 -4.3171 -4.1349 -4.1349 1.1139 1.1139 4.3206 4.3206 6.7488 6.7488 7.6261 7.6261 9.7714 9.7714 10.1464 10.1464 10.6045 10.6045 12.3427 12.3427 k = 0.1944 0.3368-0.0000 ( 2869 PWs) bands (ev): -19.5304 -19.5304 -6.4048 -6.4048 -6.3683 -6.3683 -6.3339 -6.3339 -6.3220 -6.3220 -6.2292 -6.2292 -5.9650 -5.9650 -5.8865 -5.8865 -5.8198 -5.8198 -5.7952 -5.7952 -5.7461 -5.7461 -5.6836 -5.6836 -4.3080 -4.3080 -4.1329 -4.1329 1.0341 1.0341 4.4338 4.4338 6.8468 6.8468 7.6206 7.6206 9.6990 9.6990 10.2616 10.2616 10.6302 10.6302 12.2184 12.2184 k = 0.1875 0.3248-0.0000 ( 2871 PWs) bands (ev): -19.5316 -19.5316 -6.4029 -6.4029 -6.3671 -6.3671 -6.3311 -6.3311 -6.3221 -6.3221 -6.2266 -6.2266 -5.9654 -5.9654 -5.8849 -5.8849 -5.8206 -5.8206 -5.7963 -5.7963 -5.7477 -5.7477 -5.6861 -5.6861 -4.2985 -4.2985 -4.1308 -4.1308 0.9561 0.9561 4.5498 4.5498 6.9454 6.9454 7.6177 7.6177 9.6275 9.6275 10.3785 10.3785 10.6595 10.6595 12.0971 12.0971 k = 0.1806 0.3127-0.0000 ( 2867 PWs) bands (ev): -19.5328 -19.5328 -6.4010 -6.4010 -6.3658 -6.3658 -6.3284 -6.3284 -6.3221 -6.3221 -6.2238 -6.2238 -5.9656 -5.9656 -5.8834 -5.8834 -5.8216 -5.8216 -5.7973 -5.7973 -5.7495 -5.7495 -5.6885 -5.6885 -4.2886 -4.2886 -4.1288 -4.1288 0.8800 0.8800 4.6685 4.6685 7.0442 7.0442 7.6174 7.6174 9.5572 9.5572 10.4962 10.4962 10.6926 10.6926 11.9801 11.9801 k = 0.1736 0.3007-0.0000 ( 2867 PWs) bands (ev): -19.5340 -19.5340 -6.3990 -6.3990 -6.3645 -6.3645 -6.3257 -6.3257 -6.3221 -6.3221 -6.2207 -6.2207 -5.9658 -5.9658 -5.8820 -5.8820 -5.8227 -5.8227 -5.7983 -5.7983 -5.7514 -5.7514 -5.6910 -5.6910 -4.2784 -4.2784 -4.1267 -4.1267 0.8059 0.8059 4.7899 4.7899 7.1426 7.1426 7.6196 7.6196 9.4883 9.4883 10.6129 10.6129 10.7307 10.7307 11.8687 11.8687 k = 0.1667 0.2887-0.0000 ( 2859 PWs) bands (ev): -19.5353 -19.5353 -6.3970 -6.3970 -6.3632 -6.3632 -6.3232 -6.3232 -6.3220 -6.3220 -6.2174 -6.2174 -5.9658 -5.9658 -5.8805 -5.8805 -5.8240 -5.8240 -5.7993 -5.7993 -5.7534 -5.7534 -5.6935 -5.6935 -4.2679 -4.2679 -4.1247 -4.1247 0.7340 0.7340 4.9139 4.9139 7.2400 7.2400 7.6242 7.6242 9.4208 9.4208 10.7197 10.7197 10.7821 10.7821 11.7640 11.7640 k = 0.1597 0.2766-0.0000 ( 2859 PWs) bands (ev): -19.5366 -19.5366 -6.3950 -6.3950 -6.3618 -6.3618 -6.3220 -6.3220 -6.3208 -6.3208 -6.2138 -6.2138 -5.9657 -5.9657 -5.8791 -5.8791 -5.8255 -5.8255 -5.8001 -5.8001 -5.7554 -5.7554 -5.6960 -5.6960 -4.2573 -4.2573 -4.1225 -4.1225 0.6642 0.6642 5.0406 5.0406 7.3358 7.3358 7.6313 7.6313 9.3549 9.3549 10.7874 10.7874 10.8750 10.8750 11.6670 11.6670 k = 0.1528 0.2646-0.0000 ( 2857 PWs) bands (ev): -19.5378 -19.5378 -6.3930 -6.3930 -6.3605 -6.3605 -6.3219 -6.3219 -6.3185 -6.3185 -6.2101 -6.2101 -5.9655 -5.9655 -5.8778 -5.8778 -5.8273 -5.8273 -5.8008 -5.8008 -5.7574 -5.7574 -5.6985 -5.6985 -4.2465 -4.2465 -4.1202 -4.1202 0.5967 0.5967 5.1700 5.1700 7.4287 7.4287 7.6413 7.6413 9.2904 9.2904 10.8341 10.8341 10.9904 10.9904 11.5787 11.5787 k = 0.1458 0.2526-0.0000 ( 2849 PWs) bands (ev): -19.5391 -19.5391 -6.3910 -6.3910 -6.3591 -6.3591 -6.3218 -6.3218 -6.3162 -6.3162 -6.2062 -6.2062 -5.9651 -5.9651 -5.8765 -5.8765 -5.8293 -5.8293 -5.8014 -5.8014 -5.7594 -5.7594 -5.7010 -5.7010 -4.2358 -4.2358 -4.1177 -4.1177 0.5316 0.5316 5.3019 5.3019 7.5165 7.5165 7.6557 7.6557 9.2276 9.2276 10.8776 10.8776 11.1089 11.1089 11.5000 11.5000 k = 0.1389 0.2406-0.0000 ( 2853 PWs) bands (ev): -19.5404 -19.5404 -6.3891 -6.3891 -6.3579 -6.3579 -6.3217 -6.3217 -6.3141 -6.3141 -6.2022 -6.2022 -5.9647 -5.9647 -5.8753 -5.8753 -5.8317 -5.8317 -5.8018 -5.8018 -5.7613 -5.7613 -5.7036 -5.7036 -4.2253 -4.2253 -4.1149 -4.1149 0.4688 0.4688 5.4364 5.4364 7.5923 7.5923 7.6806 7.6806 9.1663 9.1663 10.9190 10.9190 11.2269 11.2269 11.4323 11.4323 k = 0.1319 0.2285-0.0000 ( 2857 PWs) bands (ev): -19.5417 -19.5417 -6.3871 -6.3871 -6.3567 -6.3567 -6.3216 -6.3216 -6.3121 -6.3121 -6.1981 -6.1981 -5.9641 -5.9641 -5.8742 -5.8742 -5.8343 -5.8343 -5.8020 -5.8020 -5.7631 -5.7631 -5.7063 -5.7063 -4.2151 -4.2151 -4.1117 -4.1117 0.4085 0.4085 5.5734 5.5734 7.6401 7.6401 7.7311 7.7311 9.1066 9.1066 10.9562 10.9562 11.3359 11.3359 11.3834 11.3834 k = 0.1250 0.2165-0.0000 ( 2857 PWs) bands (ev): -19.5429 -19.5429 -6.3852 -6.3852 -6.3555 -6.3555 -6.3214 -6.3214 -6.3101 -6.3101 -6.1940 -6.1940 -5.9634 -5.9634 -5.8731 -5.8731 -5.8372 -5.8372 -5.8021 -5.8021 -5.7649 -5.7649 -5.7091 -5.7091 -4.2054 -4.2054 -4.1081 -4.1081 0.3508 0.3508 5.7129 5.7129 7.6651 7.6651 7.8012 7.8012 9.0485 9.0485 10.9847 10.9847 11.3248 11.3248 11.4639 11.4639 k = 0.1181 0.2045-0.0000 ( 2857 PWs) bands (ev): -19.5441 -19.5441 -6.3833 -6.3833 -6.3544 -6.3544 -6.3213 -6.3213 -6.3081 -6.3081 -6.1898 -6.1898 -5.9625 -5.9625 -5.8722 -5.8722 -5.8403 -5.8403 -5.8019 -5.8019 -5.7664 -5.7664 -5.7119 -5.7119 -4.1963 -4.1963 -4.1039 -4.1039 0.2957 0.2957 5.8549 5.8549 7.6837 7.6837 7.8736 7.8736 8.9922 8.9922 10.9962 10.9962 11.2930 11.2930 11.5690 11.5690 k = 0.1111 0.1925-0.0000 ( 2857 PWs) bands (ev): -19.5453 -19.5453 -6.3815 -6.3815 -6.3534 -6.3534 -6.3211 -6.3211 -6.3062 -6.3062 -6.1857 -6.1857 -5.9615 -5.9615 -5.8713 -5.8713 -5.8436 -5.8436 -5.8016 -5.8016 -5.7679 -5.7679 -5.7147 -5.7147 -4.1880 -4.1880 -4.0990 -4.0990 0.2432 0.2432 5.9993 5.9993 7.7008 7.7008 7.9427 7.9427 8.9377 8.9377 10.9791 10.9791 11.2730 11.2730 11.5422 11.5422 k = 0.1042 0.1804-0.0000 ( 2861 PWs) bands (ev): -19.5465 -19.5465 -6.3797 -6.3797 -6.3525 -6.3525 -6.3210 -6.3210 -6.3043 -6.3043 -6.1817 -6.1817 -5.9603 -5.9603 -5.8705 -5.8705 -5.8471 -5.8471 -5.8011 -5.8011 -5.7692 -5.7692 -5.7177 -5.7177 -4.1807 -4.1807 -4.0933 -4.0933 0.1935 0.1935 6.1459 6.1459 7.7175 7.7175 8.0067 8.0067 8.8850 8.8850 10.9247 10.9247 11.2668 11.2668 11.5275 11.5275 k = 0.0972 0.1684-0.0000 ( 2861 PWs) bands (ev): -19.5476 -19.5476 -6.3780 -6.3780 -6.3517 -6.3517 -6.3209 -6.3209 -6.3025 -6.3025 -6.1778 -6.1778 -5.9591 -5.9591 -5.8698 -5.8698 -5.8507 -5.8507 -5.8003 -5.8003 -5.7704 -5.7704 -5.7208 -5.7208 -4.1744 -4.1744 -4.0869 -4.0869 0.1466 0.1466 6.2949 6.2949 7.7340 7.7340 8.0648 8.0648 8.8344 8.8344 10.8357 10.8357 11.2754 11.2754 11.5440 11.5440 k = 0.0903 0.1564-0.0000 ( 2859 PWs) bands (ev): -19.5487 -19.5487 -6.3763 -6.3763 -6.3510 -6.3510 -6.3208 -6.3208 -6.3006 -6.3006 -6.1740 -6.1740 -5.9576 -5.9576 -5.8693 -5.8693 -5.8543 -5.8543 -5.7994 -5.7994 -5.7715 -5.7715 -5.7239 -5.7239 -4.1692 -4.1692 -4.0799 -4.0799 0.1025 0.1025 6.4460 6.4460 7.7505 7.7505 8.1167 8.1167 8.7860 8.7860 10.7222 10.7222 11.2988 11.2988 11.5824 11.5824 k = 0.0833 0.1443-0.0000 ( 2859 PWs) bands (ev): -19.5497 -19.5497 -6.3747 -6.3747 -6.3503 -6.3503 -6.3208 -6.3208 -6.2989 -6.2989 -6.1704 -6.1704 -5.9561 -5.9561 -5.8690 -5.8690 -5.8579 -5.8579 -5.7982 -5.7982 -5.7724 -5.7724 -5.7271 -5.7271 -4.1649 -4.1649 -4.0724 -4.0724 0.0614 0.0614 6.5992 6.5992 7.7667 7.7667 8.1622 8.1622 8.7400 8.7400 10.5925 10.5925 11.3364 11.3364 11.6343 11.6343 k = 0.0764 0.1323-0.0000 ( 2867 PWs) bands (ev): -19.5507 -19.5507 -6.3732 -6.3732 -6.3498 -6.3498 -6.3207 -6.3207 -6.2972 -6.2972 -6.1670 -6.1670 -5.9544 -5.9544 -5.8692 -5.8692 -5.8611 -5.8611 -5.7968 -5.7968 -5.7732 -5.7732 -5.7304 -5.7304 -4.1614 -4.1614 -4.0646 -4.0646 0.0233 0.0233 6.7543 6.7543 7.7824 7.7824 8.2014 8.2014 8.6965 8.6965 10.4521 10.4521 11.3877 11.3877 11.6950 11.6950 k = 0.0694 0.1203-0.0000 ( 2873 PWs) bands (ev): -19.5516 -19.5516 -6.3718 -6.3718 -6.3493 -6.3493 -6.3207 -6.3207 -6.2956 -6.2956 -6.1639 -6.1639 -5.9527 -5.9527 -5.8704 -5.8704 -5.8634 -5.8634 -5.7953 -5.7953 -5.7739 -5.7739 -5.7338 -5.7338 -4.1585 -4.1585 -4.0568 -4.0568 -0.0118 -0.0118 6.9113 6.9113 7.7977 7.7977 8.2348 8.2348 8.6559 8.6559 10.3040 10.3040 11.4518 11.4518 11.7613 11.7613 k = 0.0625 0.1083-0.0000 ( 2875 PWs) bands (ev): -19.5524 -19.5524 -6.3705 -6.3705 -6.3488 -6.3488 -6.3207 -6.3207 -6.2941 -6.2941 -6.1609 -6.1609 -5.9508 -5.9508 -5.8729 -5.8729 -5.8645 -5.8645 -5.7935 -5.7935 -5.7746 -5.7746 -5.7372 -5.7372 -4.1563 -4.1563 -4.0491 -4.0491 -0.0438 -0.0438 7.0699 7.0699 7.8121 7.8121 8.2627 8.2627 8.6182 8.6182 10.1504 10.1504 11.5280 11.5280 11.8316 11.8316 k = 0.0556 0.0962-0.0000 ( 2881 PWs) bands (ev): -19.5532 -19.5532 -6.3693 -6.3693 -6.3485 -6.3485 -6.3208 -6.3208 -6.2927 -6.2927 -6.1583 -6.1583 -5.9489 -5.9489 -5.8761 -5.8761 -5.8648 -5.8648 -5.7915 -5.7915 -5.7751 -5.7751 -5.7407 -5.7407 -4.1545 -4.1545 -4.0417 -4.0417 -0.0725 -0.0725 7.2298 7.2298 7.8256 7.8256 8.2856 8.2856 8.5838 8.5838 9.9927 9.9927 11.6152 11.6152 11.9047 11.9047 k = 0.0486 0.0842-0.0000 ( 2885 PWs) bands (ev): -19.5538 -19.5538 -6.3683 -6.3683 -6.3482 -6.3482 -6.3208 -6.3208 -6.2914 -6.2914 -6.1559 -6.1559 -5.9469 -5.9469 -5.8794 -5.8794 -5.8648 -5.8648 -5.7893 -5.7893 -5.7756 -5.7756 -5.7442 -5.7442 -4.1531 -4.1531 -4.0348 -4.0348 -0.0981 -0.0981 7.3908 7.3908 7.8381 7.8381 8.3043 8.3043 8.5528 8.5528 9.8320 9.8320 11.7121 11.7121 11.9801 11.9801 k = 0.0417 0.0722-0.0000 ( 2893 PWs) bands (ev): -19.5544 -19.5544 -6.3673 -6.3673 -6.3479 -6.3479 -6.3209 -6.3209 -6.2903 -6.2903 -6.1539 -6.1539 -5.9450 -5.9450 -5.8828 -5.8828 -5.8647 -5.8647 -5.7870 -5.7870 -5.7759 -5.7759 -5.7477 -5.7477 -4.1520 -4.1520 -4.0285 -4.0285 -0.1203 -0.1203 7.5524 7.5524 7.8493 7.8493 8.3192 8.3192 8.5255 8.5255 9.6695 9.6695 11.8173 11.8173 12.0572 12.0572 k = 0.0347 0.0601-0.0000 ( 2893 PWs) bands (ev): -19.5549 -19.5549 -6.3665 -6.3665 -6.3477 -6.3477 -6.3209 -6.3209 -6.2892 -6.2892 -6.1521 -6.1521 -5.9431 -5.9431 -5.8859 -5.8859 -5.8646 -5.8646 -5.7844 -5.7844 -5.7762 -5.7762 -5.7512 -5.7512 -4.1512 -4.1512 -4.0230 -4.0230 -0.1392 -0.1392 7.7135 7.7135 7.8593 7.8593 8.3309 8.3309 8.5020 8.5020 9.5064 9.5064 11.9290 11.9290 12.1358 12.1358 k = 0.0278 0.0481-0.0000 ( 2889 PWs) bands (ev): -19.5554 -19.5554 -6.3658 -6.3658 -6.3475 -6.3475 -6.3209 -6.3209 -6.2884 -6.2884 -6.1507 -6.1507 -5.9412 -5.9412 -5.8887 -5.8887 -5.8645 -5.8645 -5.7818 -5.7818 -5.7765 -5.7765 -5.7547 -5.7547 -4.1505 -4.1505 -4.0184 -4.0184 -0.1548 -0.1548 7.8603 7.8603 7.8804 7.8804 8.3401 8.3401 8.4826 8.4826 9.3443 9.3443 12.0446 12.0446 12.2161 12.2161 k = 0.0208 0.0361-0.0000 ( 2887 PWs) bands (ev): -19.5557 -19.5557 -6.3652 -6.3652 -6.3474 -6.3474 -6.3210 -6.3210 -6.2877 -6.2877 -6.1495 -6.1495 -5.9397 -5.9397 -5.8911 -5.8911 -5.8644 -5.8644 -5.7791 -5.7791 -5.7765 -5.7765 -5.7582 -5.7582 -4.1501 -4.1501 -4.0147 -4.0147 -0.1669 -0.1669 7.8726 7.8726 8.0299 8.0299 8.3475 8.3475 8.4673 8.4673 9.1862 9.1862 12.1601 12.1601 12.2985 12.2985 k = 0.0139 0.0241-0.0000 ( 2895 PWs) bands (ev): -19.5559 -19.5559 -6.3648 -6.3648 -6.3473 -6.3473 -6.3210 -6.3210 -6.2873 -6.2873 -6.1487 -6.1487 -5.9384 -5.9384 -5.8929 -5.8929 -5.8644 -5.8644 -5.7774 -5.7774 -5.7754 -5.7754 -5.7616 -5.7616 -4.1497 -4.1497 -4.0121 -4.0121 -0.1756 -0.1756 7.8776 7.8776 8.1735 8.1735 8.3547 8.3547 8.4563 8.4563 9.0381 9.0381 12.2684 12.2684 12.3628 12.3628 k = 0.0069 0.0120-0.0000 ( 2895 PWs) bands (ev): -19.5561 -19.5561 -6.3646 -6.3646 -6.3472 -6.3472 -6.3210 -6.3210 -6.2870 -6.2870 -6.1482 -6.1482 -5.9376 -5.9376 -5.8941 -5.8941 -5.8643 -5.8643 -5.7772 -5.7772 -5.7729 -5.7729 -5.7646 -5.7646 -4.1495 -4.1495 -4.0104 -4.0104 -0.1808 -0.1808 7.8805 7.8805 8.2828 8.2828 8.3687 8.3687 8.4496 8.4496 8.9163 8.9163 12.3528 12.3528 12.3684 12.3684 k = 0.0000 0.0000 0.0000 ( 2895 PWs) bands (ev): -19.5561 -19.5561 -6.3645 -6.3645 -6.3472 -6.3472 -6.3210 -6.3210 -6.2869 -6.2869 -6.1481 -6.1481 -5.9373 -5.9373 -5.8945 -5.8945 -5.8643 -5.8643 -5.7772 -5.7772 -5.7714 -5.7714 -5.7663 -5.7663 -4.1495 -4.1495 -4.0099 -4.0099 -0.1825 -0.1825 7.8815 7.8815 8.3167 8.3167 8.3887 8.3887 8.4474 8.4474 8.8630 8.8630 12.3609 12.3609 12.4122 12.4122 k = 0.0000 0.0000 0.0000 ( 2895 PWs) bands (ev): -19.5561 -19.5561 -6.3645 -6.3645 -6.3472 -6.3472 -6.3210 -6.3210 -6.2869 -6.2869 -6.1481 -6.1481 -5.9373 -5.9373 -5.8945 -5.8945 -5.8643 -5.8643 -5.7772 -5.7772 -5.7714 -5.7714 -5.7663 -5.7663 -4.1495 -4.1495 -4.0099 -4.0099 -0.1825 -0.1825 7.8815 7.8815 8.3167 8.3167 8.3887 8.3887 8.4474 8.4474 8.8630 8.8630 12.3609 12.3609 12.4122 12.4122 k = 0.0000 0.0000 0.0141 ( 2895 PWs) bands (ev): -19.5561 -19.5561 -6.3645 -6.3645 -6.3472 -6.3472 -6.3210 -6.3210 -6.2869 -6.2869 -6.1482 -6.1482 -5.9373 -5.9373 -5.8945 -5.8945 -5.8642 -5.8642 -5.7772 -5.7772 -5.7715 -5.7715 -5.7663 -5.7663 -4.1500 -4.1500 -4.0099 -4.0099 -0.1807 -0.1807 7.8551 7.8551 8.3179 8.3179 8.3899 8.3899 8.4730 8.4730 8.8637 8.8638 12.2598 12.2598 12.3374 12.3374 k = 0.0000 0.0000 0.0281 ( 2889 PWs) bands (ev): -19.5561 -19.5561 -6.3645 -6.3645 -6.3472 -6.3472 -6.3210 -6.3210 -6.2869 -6.2869 -6.1486 -6.1486 -5.9373 -5.9373 -5.8945 -5.8945 -5.8640 -5.8640 -5.7772 -5.7772 -5.7716 -5.7716 -5.7663 -5.7663 -4.1516 -4.1516 -4.0097 -4.0097 -0.1751 -0.1751 7.7868 7.7868 8.3214 8.3214 8.3936 8.3936 8.5391 8.5391 8.8661 8.8661 12.1404 12.1404 12.2229 12.2229 k = 0.0000 0.0000 0.0422 ( 2883 PWs) bands (ev): -19.5560 -19.5560 -6.3645 -6.3645 -6.3472 -6.3472 -6.3210 -6.3210 -6.2868 -6.2868 -6.1492 -6.1492 -5.9373 -5.9373 -5.8945 -5.8945 -5.8637 -5.8637 -5.7771 -5.7771 -5.7718 -5.7718 -5.7664 -5.7664 -4.1543 -4.1543 -4.0096 -4.0096 -0.1658 -0.1658 7.6943 7.6943 8.3272 8.3272 8.3996 8.3996 8.6279 8.6279 8.8700 8.8700 12.0237 12.0237 12.1066 12.1066 k = 0.0000 0.0000 0.0563 ( 2895 PWs) bands (ev): -19.5560 -19.5560 -6.3645 -6.3645 -6.3473 -6.3473 -6.3211 -6.3211 -6.2868 -6.2868 -6.1502 -6.1502 -5.9373 -5.9373 -5.8945 -5.8945 -5.8633 -5.8633 -5.7771 -5.7771 -5.7722 -5.7722 -5.7666 -5.7666 -4.1579 -4.1579 -4.0093 -4.0093 -0.1530 -0.1530 7.5892 7.5892 8.3354 8.3354 8.4082 8.4082 8.7281 8.7281 8.8754 8.8754 11.9105 11.9105 11.9923 11.9923 k = 0.0000 0.0000 0.0704 ( 2907 PWs) bands (ev): -19.5559 -19.5559 -6.3645 -6.3645 -6.3475 -6.3475 -6.3212 -6.3212 -6.2868 -6.2868 -6.1513 -6.1513 -5.9373 -5.9373 -5.8945 -5.8945 -5.8627 -5.8627 -5.7771 -5.7771 -5.7726 -5.7726 -5.7667 -5.7667 -4.1625 -4.1625 -4.0090 -4.0090 -0.1367 -0.1367 7.4774 7.4774 8.3458 8.3458 8.4191 8.4191 8.8339 8.8339 8.8823 8.8823 11.8008 11.8008 11.8812 11.8812 k = 0.0000 0.0000 0.0844 ( 2889 PWs) bands (ev): -19.5558 -19.5558 -6.3645 -6.3645 -6.3476 -6.3476 -6.3211 -6.3211 -6.2867 -6.2867 -6.1527 -6.1527 -5.9373 -5.9373 -5.8944 -5.8944 -5.8621 -5.8621 -5.7771 -5.7771 -5.7730 -5.7730 -5.7669 -5.7669 -4.1680 -4.1680 -4.0086 -4.0086 -0.1170 -0.1170 7.3622 7.3622 8.3584 8.3584 8.4323 8.4323 8.8906 8.8906 8.9424 8.9424 11.6950 11.6950 11.7737 11.7737 k = 0.0000 0.0000 0.0985 ( 2877 PWs) bands (ev): -19.5556 -19.5556 -6.3645 -6.3645 -6.3477 -6.3477 -6.3211 -6.3211 -6.2866 -6.2866 -6.1543 -6.1543 -5.9373 -5.9373 -5.8944 -5.8944 -5.8612 -5.8612 -5.7770 -5.7770 -5.7736 -5.7736 -5.7670 -5.7670 -4.1742 -4.1742 -4.0081 -4.0081 -0.0942 -0.0942 7.2451 7.2451 8.3733 8.3733 8.4480 8.4480 8.9004 8.9004 9.0520 9.0520 11.5929 11.5929 11.6698 11.6698 k = 0.0000 0.0000 0.1126 ( 2876 PWs) bands (ev): -19.5555 -19.5555 -6.3645 -6.3645 -6.3479 -6.3479 -6.3212 -6.3212 -6.2865 -6.2865 -6.1561 -6.1561 -5.9373 -5.9373 -5.8944 -5.8944 -5.8603 -5.8603 -5.7770 -5.7770 -5.7742 -5.7742 -5.7673 -5.7673 -4.1812 -4.1812 -4.0076 -4.0076 -0.0684 -0.0684 7.1275 7.1275 8.3904 8.3904 8.4659 8.4659 8.9115 8.9115 9.1621 9.1621 11.4947 11.4947 11.5697 11.5697 k = 0.0000 0.0000 0.1267 ( 2870 PWs) bands (ev): -19.5553 -19.5553 -6.3645 -6.3645 -6.3482 -6.3482 -6.3211 -6.3211 -6.2863 -6.2863 -6.1581 -6.1581 -5.9373 -5.9373 -5.8943 -5.8943 -5.8594 -5.8594 -5.7769 -5.7769 -5.7749 -5.7749 -5.7676 -5.7676 -4.1889 -4.1889 -4.0071 -4.0071 -0.0398 -0.0398 7.0101 7.0101 8.4095 8.4095 8.4860 8.4860 8.9239 8.9239 9.2720 9.2720 11.4004 11.4004 11.4735 11.4735 k = 0.0000 0.0000 0.1407 ( 2882 PWs) bands (ev): -19.5552 -19.5552 -6.3646 -6.3646 -6.3484 -6.3484 -6.3211 -6.3211 -6.2862 -6.2862 -6.1602 -6.1602 -5.9373 -5.9373 -5.8942 -5.8942 -5.8585 -5.8585 -5.7769 -5.7769 -5.7757 -5.7757 -5.7679 -5.7679 -4.1970 -4.1970 -4.0065 -4.0065 -0.0087 -0.0087 6.8935 6.8935 8.4307 8.4307 8.5084 8.5084 8.9375 8.9375 9.3816 9.3816 11.3101 11.3101 11.3812 11.3812 k = 0.0000 0.0000 0.1548 ( 2882 PWs) bands (ev): -19.5550 -19.5550 -6.3646 -6.3646 -6.3487 -6.3487 -6.3212 -6.3212 -6.2861 -6.2861 -6.1625 -6.1625 -5.9373 -5.9373 -5.8942 -5.8942 -5.8574 -5.8574 -5.7768 -5.7768 -5.7765 -5.7765 -5.7683 -5.7683 -4.2056 -4.2056 -4.0058 -4.0058 0.0246 0.0246 6.7783 6.7783 8.4539 8.4539 8.5328 8.5328 8.9522 8.9522 9.4906 9.4906 11.2238 11.2238 11.2929 11.2929 k = 0.0000 0.0000 0.1689 ( 2882 PWs) bands (ev): -19.5548 -19.5548 -6.3647 -6.3647 -6.3489 -6.3489 -6.3212 -6.3212 -6.2860 -6.2860 -6.1650 -6.1650 -5.9373 -5.9373 -5.8942 -5.8942 -5.8563 -5.8563 -5.7773 -5.7773 -5.7768 -5.7768 -5.7686 -5.7686 -4.2145 -4.2145 -4.0051 -4.0051 0.0599 0.0599 6.6649 6.6649 8.4790 8.4790 8.5593 8.5593 8.9679 8.9679 9.5991 9.5991 11.1415 11.1415 11.2087 11.2087 k = 0.0000 0.0000 0.1830 ( 2882 PWs) bands (ev): -19.5546 -19.5546 -6.3647 -6.3647 -6.3492 -6.3492 -6.3212 -6.3212 -6.2859 -6.2859 -6.1675 -6.1675 -5.9373 -5.9373 -5.8941 -5.8941 -5.8551 -5.8551 -5.7782 -5.7782 -5.7767 -5.7767 -5.7690 -5.7690 -4.2236 -4.2236 -4.0044 -4.0044 0.0968 0.0968 6.5537 6.5537 8.5058 8.5058 8.5878 8.5878 8.9846 8.9846 9.7069 9.7069 11.0634 11.0634 11.1286 11.1286 k = 0.0000 0.0000 0.1970 ( 2876 PWs) bands (ev): -19.5544 -19.5544 -6.3647 -6.3647 -6.3495 -6.3495 -6.3212 -6.3212 -6.2857 -6.2857 -6.1700 -6.1700 -5.9373 -5.9373 -5.8940 -5.8940 -5.8539 -5.8539 -5.7791 -5.7791 -5.7767 -5.7767 -5.7693 -5.7693 -4.2328 -4.2328 -4.0037 -4.0037 0.1351 0.1351 6.4453 6.4453 8.5342 8.5342 8.6180 8.6180 9.0020 9.0020 9.8140 9.8140 10.9895 10.9895 11.0526 11.0526 k = 0.0000 0.0000 0.2111 ( 2876 PWs) bands (ev): -19.5542 -19.5542 -6.3647 -6.3647 -6.3498 -6.3498 -6.3212 -6.3212 -6.2856 -6.2856 -6.1727 -6.1727 -5.9373 -5.9373 -5.8940 -5.8940 -5.8527 -5.8527 -5.7801 -5.7801 -5.7766 -5.7766 -5.7697 -5.7697 -4.2420 -4.2420 -4.0030 -4.0030 0.1743 0.1743 6.3399 6.3399 8.5642 8.5642 8.6500 8.6500 9.0200 9.0200 9.9202 9.9202 10.9198 10.9198 10.9807 10.9807 k = 0.0000 0.0000 0.2252 ( 2876 PWs) bands (ev): -19.5540 -19.5540 -6.3647 -6.3647 -6.3501 -6.3501 -6.3213 -6.3213 -6.2854 -6.2854 -6.1753 -6.1753 -5.9373 -5.9373 -5.8939 -5.8939 -5.8515 -5.8515 -5.7810 -5.7810 -5.7766 -5.7766 -5.7700 -5.7700 -4.2512 -4.2512 -4.0022 -4.0022 0.2141 0.2141 6.2380 6.2380 8.5954 8.5954 8.6834 8.6834 9.0385 9.0385 10.0254 10.0254 10.8544 10.8544 10.9130 10.9130 k = 0.0000 0.0000 0.2392 ( 2876 PWs) bands (ev): -19.5539 -19.5539 -6.3648 -6.3648 -6.3504 -6.3504 -6.3213 -6.3213 -6.2853 -6.2853 -6.1779 -6.1779 -5.9373 -5.9373 -5.8939 -5.8939 -5.8502 -5.8502 -5.7820 -5.7820 -5.7765 -5.7765 -5.7704 -5.7704 -4.2601 -4.2601 -4.0015 -4.0015 0.2542 0.2542 6.1400 6.1400 8.6278 8.6278 8.7182 8.7182 9.0574 9.0574 10.1292 10.1292 10.7936 10.7936 10.8496 10.8496 k = 0.0000 0.0000 0.2533 ( 2870 PWs) bands (ev): -19.5537 -19.5537 -6.3648 -6.3648 -6.3507 -6.3507 -6.3213 -6.3213 -6.2852 -6.2852 -6.1805 -6.1805 -5.9372 -5.9372 -5.8938 -5.8938 -5.8490 -5.8490 -5.7829 -5.7829 -5.7764 -5.7764 -5.7707 -5.7707 -4.2688 -4.2688 -4.0008 -4.0008 0.2940 0.2940 6.0462 6.0462 8.6610 8.6610 8.7541 8.7541 9.0764 9.0764 10.2310 10.2310 10.7377 10.7377 10.7903 10.7903 k = 0.0000 0.0000 0.2674 ( 2864 PWs) bands (ev): -19.5535 -19.5535 -6.3648 -6.3648 -6.3510 -6.3510 -6.3214 -6.3214 -6.2851 -6.2851 -6.1830 -6.1830 -5.9372 -5.9372 -5.8938 -5.8938 -5.8478 -5.8478 -5.7839 -5.7839 -5.7764 -5.7764 -5.7710 -5.7710 -4.2772 -4.2772 -4.0001 -4.0001 0.3334 0.3334 5.9571 5.9571 8.6948 8.6948 8.7908 8.7908 9.0952 9.0952 10.3297 10.3297 10.6877 10.6877 10.7353 10.7353 k = 0.0000 0.0000 0.2815 ( 2846 PWs) bands (ev): -19.5533 -19.5533 -6.3648 -6.3648 -6.3512 -6.3512 -6.3213 -6.3213 -6.2849 -6.2849 -6.1854 -6.1854 -5.9372 -5.9372 -5.8937 -5.8937 -5.8467 -5.8467 -5.7848 -5.7848 -5.7763 -5.7763 -5.7713 -5.7713 -4.2852 -4.2852 -3.9994 -3.9994 0.3717 0.3717 5.8731 5.8731 8.7290 8.7290 8.8281 8.8281 9.1139 9.1139 10.4218 10.4218 10.6464 10.6464 10.6847 10.6847 k = 0.0000 0.0000 0.2955 ( 2840 PWs) bands (ev): -19.5531 -19.5531 -6.3648 -6.3648 -6.3515 -6.3515 -6.3213 -6.3213 -6.2848 -6.2848 -6.1877 -6.1877 -5.9372 -5.9372 -5.8936 -5.8936 -5.8456 -5.8456 -5.7856 -5.7856 -5.7762 -5.7762 -5.7717 -5.7717 -4.2927 -4.2927 -3.9987 -3.9987 0.4086 0.4086 5.7946 5.7946 8.7630 8.7630 8.8655 8.8655 9.1320 9.1320 10.4929 10.4929 10.6277 10.6277 10.6383 10.6383 k = 0.0000 0.0000 0.3096 ( 2852 PWs) bands (ev): -19.5529 -19.5529 -6.3649 -6.3649 -6.3518 -6.3518 -6.3213 -6.3213 -6.2847 -6.2847 -6.1899 -6.1899 -5.9373 -5.9373 -5.8936 -5.8936 -5.8446 -5.8446 -5.7864 -5.7864 -5.7762 -5.7762 -5.7720 -5.7720 -4.2996 -4.2996 -3.9981 -3.9981 0.4437 0.4437 5.7219 5.7219 8.7964 8.7964 8.9025 8.9025 9.1493 9.1493 10.5076 10.5076 10.5962 10.5962 10.6665 10.6665 k = 0.0000 0.0000 0.3237 ( 2858 PWs) bands (ev): -19.5528 -19.5528 -6.3649 -6.3649 -6.3521 -6.3521 -6.3214 -6.3214 -6.2846 -6.2846 -6.1919 -6.1919 -5.9373 -5.9373 -5.8935 -5.8935 -5.8436 -5.8436 -5.7872 -5.7872 -5.7761 -5.7761 -5.7723 -5.7723 -4.3060 -4.3060 -3.9976 -3.9976 0.4765 0.4765 5.6555 5.6555 8.8289 8.8289 8.9387 8.9387 9.1657 9.1657 10.4861 10.4861 10.5584 10.5584 10.7413 10.7413 k = 0.0000 0.0000 0.3378 ( 2858 PWs) bands (ev): -19.5527 -19.5527 -6.3649 -6.3649 -6.3523 -6.3523 -6.3214 -6.3214 -6.2845 -6.2845 -6.1937 -6.1937 -5.9373 -5.9373 -5.8935 -5.8935 -5.8428 -5.8428 -5.7879 -5.7879 -5.7761 -5.7761 -5.7725 -5.7725 -4.3117 -4.3117 -3.9971 -3.9971 0.5066 0.5066 5.5959 5.5959 8.8598 8.8598 8.9735 8.9735 9.1809 9.1809 10.4592 10.4592 10.5250 10.5250 10.8206 10.8206 k = 0.0000 0.0000 0.3518 ( 2846 PWs) bands (ev): -19.5525 -19.5525 -6.3649 -6.3649 -6.3525 -6.3525 -6.3214 -6.3214 -6.2844 -6.2844 -6.1953 -6.1953 -5.9373 -5.9373 -5.8934 -5.8934 -5.8420 -5.8420 -5.7885 -5.7885 -5.7760 -5.7760 -5.7727 -5.7727 -4.3167 -4.3167 -3.9966 -3.9966 0.5337 0.5337 5.5433 5.5433 8.8885 8.8885 9.0061 9.0061 9.1946 9.1946 10.4338 10.4338 10.4960 10.4960 10.8749 10.8749 k = 0.0000 0.0000 0.3659 ( 2846 PWs) bands (ev): -19.5524 -19.5524 -6.3649 -6.3649 -6.3527 -6.3527 -6.3214 -6.3214 -6.2843 -6.2843 -6.1967 -6.1967 -5.9373 -5.9373 -5.8934 -5.8934 -5.8413 -5.8413 -5.7890 -5.7890 -5.7760 -5.7760 -5.7729 -5.7729 -4.3210 -4.3210 -3.9962 -3.9962 0.5573 0.5573 5.4981 5.4981 8.9145 8.9145 9.0358 9.0358 9.2066 9.2066 10.4115 10.4115 10.4713 10.4713 10.8224 10.8224 k = 0.0000 0.0000 0.3800 ( 2840 PWs) bands (ev): -19.5523 -19.5523 -6.3649 -6.3649 -6.3528 -6.3528 -6.3214 -6.3214 -6.2842 -6.2842 -6.1978 -6.1978 -5.9372 -5.9372 -5.8934 -5.8934 -5.8408 -5.8408 -5.7895 -5.7895 -5.7760 -5.7760 -5.7731 -5.7731 -4.3246 -4.3246 -3.9959 -3.9959 0.5771 0.5771 5.4606 5.4606 8.9369 8.9369 9.0618 9.0618 9.2168 9.2168 10.3930 10.3930 10.4511 10.4511 10.7778 10.7778 k = 0.0000 0.0000 0.3940 ( 2840 PWs) bands (ev): -19.5523 -19.5523 -6.3649 -6.3649 -6.3530 -6.3530 -6.3214 -6.3214 -6.2842 -6.2842 -6.1988 -6.1988 -5.9372 -5.9372 -5.8933 -5.8933 -5.8403 -5.8403 -5.7898 -5.7898 -5.7760 -5.7760 -5.7732 -5.7732 -4.3274 -4.3274 -3.9956 -3.9956 0.5928 0.5928 5.4312 5.4312 8.9552 8.9552 9.0831 9.0831 9.2249 9.2249 10.3784 10.3784 10.4352 10.4352 10.7419 10.7419 k = 0.0000 0.0000 0.4081 ( 2840 PWs) bands (ev): -19.5522 -19.5522 -6.3649 -6.3649 -6.3531 -6.3531 -6.3214 -6.3214 -6.2842 -6.2842 -6.1994 -6.1994 -5.9372 -5.9372 -5.8933 -5.8933 -5.8400 -5.8400 -5.7901 -5.7901 -5.7760 -5.7760 -5.7733 -5.7733 -4.3294 -4.3294 -3.9955 -3.9955 0.6043 0.6043 5.4100 5.4100 8.9687 8.9687 9.0990 9.0990 9.2308 9.2308 10.3679 10.3679 10.4239 10.4239 10.7156 10.7156 k = 0.0000 0.0000 0.4222 ( 2840 PWs) bands (ev): -19.5522 -19.5522 -6.3649 -6.3649 -6.3531 -6.3531 -6.3214 -6.3214 -6.2842 -6.2842 -6.1998 -6.1998 -5.9372 -5.9372 -5.8933 -5.8933 -5.8398 -5.8398 -5.7903 -5.7903 -5.7760 -5.7760 -5.7733 -5.7733 -4.3306 -4.3306 -3.9953 -3.9953 0.6112 0.6112 5.3972 5.3972 8.9771 8.9771 9.1089 9.1089 9.2344 9.2344 10.3616 10.3616 10.4171 10.4171 10.6996 10.6996 k = 0.0000 0.0000 0.4363 ( 2852 PWs) bands (ev): -19.5522 -19.5522 -6.3649 -6.3649 -6.3532 -6.3532 -6.3215 -6.3215 -6.2842 -6.2842 -6.2000 -6.2000 -5.9372 -5.9372 -5.8933 -5.8933 -5.8398 -5.8398 -5.7903 -5.7903 -5.7761 -5.7761 -5.7734 -5.7734 -4.3310 -4.3310 -3.9953 -3.9953 0.6135 0.6135 5.3929 5.3929 8.9799 8.9799 9.1122 9.1122 9.2356 9.2356 10.3595 10.3595 10.4148 10.4148 10.6942 10.6942 k = 0.0000 0.0000 0.4363 ( 2852 PWs) bands (ev): -19.5522 -19.5522 -6.3649 -6.3649 -6.3532 -6.3532 -6.3215 -6.3215 -6.2842 -6.2842 -6.2000 -6.2000 -5.9372 -5.9372 -5.8933 -5.8933 -5.8398 -5.8398 -5.7903 -5.7903 -5.7761 -5.7761 -5.7734 -5.7734 -4.3310 -4.3310 -3.9953 -3.9953 0.6135 0.6135 5.3929 5.3929 8.9799 8.9799 9.1122 9.1122 9.2356 9.2356 10.3595 10.3595 10.4148 10.4148 10.6942 10.6942 k = 0.0122 0.0070 0.4363 ( 2844 PWs) bands (ev): -19.5521 -19.5521 -6.3650 -6.3650 -6.3532 -6.3532 -6.3214 -6.3214 -6.2843 -6.2843 -6.2000 -6.2000 -5.9375 -5.9375 -5.8928 -5.8928 -5.8399 -5.8399 -5.7905 -5.7905 -5.7761 -5.7761 -5.7729 -5.7729 -4.3310 -4.3310 -3.9958 -3.9958 0.6142 0.6142 5.3954 5.3954 8.9086 8.9086 9.0576 9.0576 9.3432 9.3432 10.3713 10.3713 10.4248 10.4248 10.6896 10.6896 k = 0.0244 0.0141 0.4363 ( 2836 PWs) bands (ev): -19.5520 -19.5520 -6.3652 -6.3652 -6.3532 -6.3532 -6.3214 -6.3214 -6.2848 -6.2848 -6.2002 -6.2002 -5.9383 -5.9383 -5.8913 -5.8913 -5.8403 -5.8403 -5.7909 -5.7909 -5.7763 -5.7763 -5.7717 -5.7717 -4.3309 -4.3309 -3.9972 -3.9972 0.6163 0.6163 5.4028 5.4028 8.7463 8.7463 9.0148 9.0148 9.4929 9.4929 10.4070 10.4070 10.4548 10.4548 10.6711 10.6711 k = 0.0366 0.0211 0.4363 ( 2836 PWs) bands (ev): -19.5518 -19.5518 -6.3654 -6.3654 -6.3532 -6.3532 -6.3215 -6.3215 -6.2856 -6.2856 -6.2004 -6.2004 -5.9395 -5.9395 -5.8891 -5.8891 -5.8411 -5.8411 -5.7916 -5.7916 -5.7763 -5.7763 -5.7700 -5.7700 -4.3307 -4.3307 -3.9995 -3.9995 0.6198 0.6198 5.4152 5.4152 8.5631 8.5631 8.9675 8.9675 9.6293 9.6293 10.4676 10.4676 10.5033 10.5033 10.6336 10.6336 k = 0.0488 0.0282 0.4363 ( 2836 PWs) bands (ev): -19.5514 -19.5514 -6.3658 -6.3658 -6.3533 -6.3533 -6.3215 -6.3215 -6.2867 -6.2867 -6.2008 -6.2008 -5.9409 -5.9409 -5.8861 -5.8861 -5.8421 -5.8421 -5.7924 -5.7924 -5.7763 -5.7763 -5.7681 -5.7681 -4.3304 -4.3304 -4.0028 -4.0028 0.6246 0.6246 5.4326 5.4326 8.3742 8.3742 8.9098 8.9098 9.7418 9.7418 10.5377 10.5377 10.5541 10.5541 10.6111 10.6111 k = 0.0610 0.0352 0.4363 ( 2836 PWs) bands (ev): -19.5510 -19.5510 -6.3663 -6.3663 -6.3534 -6.3534 -6.3216 -6.3216 -6.2880 -6.2880 -6.2013 -6.2013 -5.9425 -5.9425 -5.8826 -5.8826 -5.8433 -5.8433 -5.7932 -5.7932 -5.7761 -5.7761 -5.7659 -5.7659 -4.3301 -4.3301 -4.0069 -4.0069 0.6309 0.6309 5.4547 5.4547 8.1835 8.1835 8.8435 8.8435 9.8268 9.8268 10.4812 10.4812 10.6471 10.6471 10.7032 10.7032 k = 0.0732 0.0422 0.4363 ( 2840 PWs) bands (ev): -19.5505 -19.5505 -6.3670 -6.3670 -6.3536 -6.3536 -6.3216 -6.3216 -6.2896 -6.2896 -6.2020 -6.2020 -5.9441 -5.9441 -5.8788 -5.8788 -5.8448 -5.8448 -5.7940 -5.7940 -5.7757 -5.7757 -5.7635 -5.7635 -4.3297 -4.3297 -4.0118 -4.0118 0.6386 0.6386 5.4816 5.4816 7.9926 7.9926 8.7710 8.7710 9.8875 9.8875 10.3986 10.3986 10.7434 10.7434 10.8202 10.8202 k = 0.0854 0.0493 0.4363 ( 2844 PWs) bands (ev): -19.5499 -19.5499 -6.3677 -6.3677 -6.3538 -6.3538 -6.3217 -6.3217 -6.2914 -6.2914 -6.2028 -6.2028 -5.9456 -5.9456 -5.8747 -5.8747 -5.8464 -5.8464 -5.7948 -5.7948 -5.7753 -5.7753 -5.7610 -5.7610 -4.3292 -4.3292 -4.0174 -4.0174 0.6477 0.6477 5.5131 5.5131 7.8022 7.8022 8.6942 8.6942 9.9298 9.9298 10.3080 10.3080 10.8375 10.8375 10.8658 10.8658 k = 0.0976 0.0563 0.4363 ( 2840 PWs) bands (ev): -19.5492 -19.5492 -6.3686 -6.3686 -6.3541 -6.3541 -6.3218 -6.3218 -6.2934 -6.2934 -6.2038 -6.2038 -5.9469 -5.9469 -5.8706 -5.8706 -5.8481 -5.8481 -5.7955 -5.7955 -5.7748 -5.7748 -5.7583 -5.7583 -4.3287 -4.3287 -4.0238 -4.0238 0.6583 0.6583 5.5492 5.5492 7.6130 7.6130 8.6149 8.6149 9.9597 9.9597 10.2131 10.2131 10.8858 10.8858 10.9627 10.9627 k = 0.1098 0.0634 0.4363 ( 2840 PWs) bands (ev): -19.5485 -19.5485 -6.3695 -6.3695 -6.3543 -6.3543 -6.3219 -6.3219 -6.2956 -6.2956 -6.2050 -6.2050 -5.9480 -5.9480 -5.8665 -5.8665 -5.8497 -5.8497 -5.7961 -5.7961 -5.7742 -5.7742 -5.7556 -5.7556 -4.3282 -4.3282 -4.0308 -4.0308 0.6702 0.6702 5.5897 5.5897 7.4255 7.4255 8.5342 8.5342 9.9816 9.9816 10.1157 10.1157 10.9266 10.9266 11.0756 11.0756 k = 0.1220 0.0704 0.4363 ( 2844 PWs) bands (ev): -19.5477 -19.5477 -6.3705 -6.3705 -6.3547 -6.3547 -6.3220 -6.3220 -6.2980 -6.2980 -6.2064 -6.2064 -5.9490 -5.9490 -5.8630 -5.8630 -5.8508 -5.8508 -5.7966 -5.7966 -5.7735 -5.7735 -5.7528 -5.7528 -4.3277 -4.3277 -4.0383 -4.0383 0.6837 0.6837 5.6345 5.6345 7.2398 7.2398 8.4530 8.4530 9.9972 9.9972 10.0185 10.0185 10.9710 10.9710 11.1897 11.1897 k = 0.1341 0.0774 0.4363 ( 2850 PWs) bands (ev): -19.5468 -19.5468 -6.3717 -6.3717 -6.3551 -6.3551 -6.3222 -6.3222 -6.3004 -6.3004 -6.2080 -6.2080 -5.9498 -5.9498 -5.8608 -5.8608 -5.8507 -5.8507 -5.7971 -5.7971 -5.7727 -5.7727 -5.7500 -5.7500 -4.3271 -4.3271 -4.0464 -4.0464 0.6986 0.6986 5.6833 5.6833 7.0563 7.0563 8.3721 8.3721 9.9184 9.9184 10.0125 10.0125 11.0198 11.0198 11.2863 11.2863 k = 0.1463 0.0845 0.4363 ( 2854 PWs) bands (ev): -19.5458 -19.5458 -6.3729 -6.3729 -6.3556 -6.3556 -6.3224 -6.3224 -6.3029 -6.3029 -6.2098 -6.2098 -5.9503 -5.9503 -5.8607 -5.8607 -5.8486 -5.8486 -5.7974 -5.7974 -5.7718 -5.7718 -5.7472 -5.7472 -4.3266 -4.3266 -4.0547 -4.0547 0.7151 0.7151 5.7361 5.7361 6.8751 6.8751 8.2918 8.2918 9.8209 9.8209 10.0240 10.0240 11.0730 11.0730 11.3429 11.3429 k = 0.1585 0.0915 0.4363 ( 2854 PWs) bands (ev): -19.5448 -19.5448 -6.3741 -6.3741 -6.3561 -6.3561 -6.3226 -6.3226 -6.3054 -6.3054 -6.2117 -6.2117 -5.9506 -5.9506 -5.8619 -5.8619 -5.8453 -5.8453 -5.7976 -5.7976 -5.7708 -5.7708 -5.7443 -5.7443 -4.3262 -4.3262 -4.0634 -4.0634 0.7330 0.7330 5.7925 5.7925 6.6965 6.6965 8.2128 8.2128 9.7246 9.7246 10.0344 10.0344 11.1306 11.1306 11.3863 11.3863 k = 0.1707 0.0986 0.4363 ( 2856 PWs) bands (ev): -19.5437 -19.5437 -6.3754 -6.3754 -6.3567 -6.3567 -6.3228 -6.3228 -6.3080 -6.3080 -6.2138 -6.2138 -5.9508 -5.9508 -5.8637 -5.8637 -5.8417 -5.8417 -5.7977 -5.7977 -5.7697 -5.7697 -5.7415 -5.7415 -4.3259 -4.3259 -4.0722 -4.0722 0.7524 0.7524 5.8525 5.8525 6.5206 6.5206 8.1352 8.1352 9.6300 9.6300 10.0443 10.0443 11.1925 11.1925 11.4288 11.4288 k = 0.1829 0.1056 0.4363 ( 2854 PWs) bands (ev): -19.5426 -19.5426 -6.3768 -6.3768 -6.3574 -6.3574 -6.3231 -6.3231 -6.3105 -6.3105 -6.2162 -6.2162 -5.9509 -5.9509 -5.8655 -5.8655 -5.8381 -5.8381 -5.7976 -5.7976 -5.7684 -5.7684 -5.7387 -5.7387 -4.3257 -4.3257 -4.0810 -4.0810 0.7734 0.7734 5.9157 5.9157 6.3476 6.3476 8.0594 8.0594 9.5375 9.5375 10.0540 10.0540 11.2587 11.2587 11.4725 11.4725 k = 0.1951 0.1127 0.4363 ( 2854 PWs) bands (ev): -19.5415 -19.5415 -6.3782 -6.3782 -6.3582 -6.3582 -6.3234 -6.3234 -6.3129 -6.3129 -6.2186 -6.2186 -5.9508 -5.9508 -5.8673 -5.8673 -5.8347 -5.8347 -5.7974 -5.7974 -5.7669 -5.7669 -5.7359 -5.7359 -4.3256 -4.3256 -4.0898 -4.0898 0.7959 0.7959 5.9820 5.9820 6.1776 6.1776 7.9856 7.9856 9.4474 9.4474 10.0638 10.0638 11.3291 11.3291 11.5178 11.5178 k = 0.2073 0.1197 0.4363 ( 2862 PWs) bands (ev): -19.5403 -19.5403 -6.3797 -6.3797 -6.3592 -6.3592 -6.3239 -6.3239 -6.3151 -6.3151 -6.2212 -6.2212 -5.9508 -5.9508 -5.8691 -5.8691 -5.8317 -5.8317 -5.7971 -5.7971 -5.7653 -5.7653 -5.7331 -5.7331 -4.3258 -4.3258 -4.0984 -4.0984 0.8199 0.8199 6.0104 6.0104 6.0513 6.0513 7.9139 7.9139 9.3598 9.3598 10.0739 10.0739 11.4036 11.4036 11.5648 11.5648 k = 0.2195 0.1267 0.4363 ( 2862 PWs) bands (ev): -19.5391 -19.5391 -6.3811 -6.3811 -6.3602 -6.3602 -6.3245 -6.3245 -6.3171 -6.3171 -6.2239 -6.2239 -5.9507 -5.9507 -5.8707 -5.8707 -5.8290 -5.8290 -5.7967 -5.7967 -5.7635 -5.7635 -5.7304 -5.7304 -4.3262 -4.3262 -4.1068 -4.1068 0.8455 0.8455 5.8470 5.8470 6.1226 6.1226 7.8445 7.8445 9.2751 9.2751 10.0846 10.0846 11.4822 11.4822 11.6133 11.6133 k = 0.2317 0.1338 0.4363 ( 2862 PWs) bands (ev): -19.5379 -19.5379 -6.3826 -6.3826 -6.3614 -6.3614 -6.3253 -6.3253 -6.3188 -6.3188 -6.2268 -6.2268 -5.9506 -5.9506 -5.8721 -5.8721 -5.8267 -5.8267 -5.7961 -5.7961 -5.7614 -5.7614 -5.7277 -5.7277 -4.3270 -4.3270 -4.1148 -4.1148 0.8725 0.8725 5.6868 5.6868 6.1962 6.1962 7.7774 7.7774 9.1933 9.1933 10.0958 10.0958 11.5647 11.5647 11.6633 11.6633 k = 0.2439 0.1408 0.4363 ( 2866 PWs) bands (ev): -19.5366 -19.5366 -6.3841 -6.3841 -6.3627 -6.3627 -6.3264 -6.3264 -6.3201 -6.3201 -6.2297 -6.2297 -5.9506 -5.9506 -5.8733 -5.8733 -5.8248 -5.8248 -5.7954 -5.7954 -5.7591 -5.7591 -5.7251 -5.7251 -4.3281 -4.3281 -4.1223 -4.1223 0.9011 0.9011 5.5301 5.5301 6.2718 6.2718 7.7129 7.7129 9.1146 9.1146 10.1077 10.1077 11.6510 11.6510 11.7143 11.7143 k = 0.2561 0.1479 0.4363 ( 2866 PWs) bands (ev): -19.5354 -19.5354 -6.3855 -6.3855 -6.3642 -6.3642 -6.3277 -6.3277 -6.3211 -6.3211 -6.2326 -6.2326 -5.9507 -5.9507 -5.8742 -5.8742 -5.8233 -5.8233 -5.7947 -5.7947 -5.7566 -5.7566 -5.7226 -5.7226 -4.3295 -4.3295 -4.1292 -4.1292 0.9311 0.9311 5.3771 5.3771 6.3488 6.3488 7.6510 7.6510 9.0390 9.0390 10.1202 10.1202 11.7402 11.7402 11.7669 11.7669 k = 0.2683 0.1549 0.4363 ( 2870 PWs) bands (ev): -19.5341 -19.5341 -6.3870 -6.3870 -6.3657 -6.3657 -6.3292 -6.3292 -6.3217 -6.3217 -6.2356 -6.2356 -5.9510 -5.9510 -5.8749 -5.8749 -5.8221 -5.8221 -5.7940 -5.7940 -5.7539 -5.7539 -5.7202 -5.7202 -4.3314 -4.3314 -4.1355 -4.1355 0.9626 0.9626 5.2279 5.2279 6.4270 6.4270 7.5917 7.5917 8.9668 8.9668 10.1335 10.1335 11.8145 11.8145 11.8381 11.8381 k = 0.2805 0.1619 0.4363 ( 2874 PWs) bands (ev): -19.5329 -19.5329 -6.3884 -6.3884 -6.3675 -6.3675 -6.3306 -6.3306 -6.3221 -6.3221 -6.2387 -6.2387 -5.9514 -5.9514 -5.8752 -5.8752 -5.8212 -5.8212 -5.7934 -5.7934 -5.7511 -5.7511 -5.7178 -5.7178 -4.3337 -4.3337 -4.1411 -4.1411 0.9954 0.9954 5.0827 5.0827 6.5060 6.5060 7.5352 7.5352 8.8978 8.8978 10.1475 10.1475 11.8673 11.8673 11.9342 11.9342 k = 0.2927 0.1690 0.4363 ( 2866 PWs) bands (ev): -19.5317 -19.5317 -6.3898 -6.3898 -6.3692 -6.3692 -6.3320 -6.3320 -6.3224 -6.3224 -6.2417 -6.2417 -5.9519 -5.9519 -5.8753 -5.8753 -5.8205 -5.8205 -5.7927 -5.7927 -5.7480 -5.7480 -5.7156 -5.7156 -4.3364 -4.3364 -4.1460 -4.1460 1.0296 1.0296 4.9416 4.9416 6.5854 6.5854 7.4815 7.4815 8.8322 8.8322 10.1621 10.1621 11.9179 11.9179 12.0348 12.0348 k = 0.3049 0.1760 0.4363 ( 2862 PWs) bands (ev): -19.5305 -19.5305 -6.3911 -6.3911 -6.3711 -6.3711 -6.3333 -6.3333 -6.3227 -6.3227 -6.2447 -6.2447 -5.9525 -5.9525 -5.8752 -5.8752 -5.8200 -5.8200 -5.7922 -5.7922 -5.7449 -5.7449 -5.7134 -5.7134 -4.3395 -4.3395 -4.1502 -4.1502 1.0649 1.0649 4.8049 4.8049 6.6647 6.6647 7.4306 7.4306 8.7701 8.7701 10.1774 10.1774 11.9669 11.9669 12.1388 12.1388 k = 0.3171 0.1831 0.4363 ( 2866 PWs) bands (ev): -19.5294 -19.5294 -6.3925 -6.3925 -6.3731 -6.3731 -6.3345 -6.3345 -6.3228 -6.3228 -6.2476 -6.2476 -5.9533 -5.9533 -5.8748 -5.8748 -5.8197 -5.8197 -5.7917 -5.7917 -5.7418 -5.7418 -5.7114 -5.7114 -4.3429 -4.3429 -4.1536 -4.1536 1.1013 1.1013 4.6728 4.6728 6.7435 6.7435 7.3826 7.3826 8.7115 8.7115 10.1931 10.1931 12.0136 12.0136 12.2459 12.2459 k = 0.3293 0.1901 0.4363 ( 2866 PWs) bands (ev): -19.5282 -19.5282 -6.3937 -6.3937 -6.3751 -6.3751 -6.3357 -6.3357 -6.3229 -6.3229 -6.2506 -6.2506 -5.9543 -5.9543 -5.8743 -5.8743 -5.8195 -5.8195 -5.7914 -5.7914 -5.7387 -5.7387 -5.7095 -5.7095 -4.3466 -4.3466 -4.1564 -4.1564 1.1386 1.1386 4.5456 4.5456 6.8212 6.8212 7.3377 7.3377 8.6564 8.6564 10.2092 10.2092 12.0573 12.0573 12.3559 12.3559 k = 0.3415 0.1971 0.4363 ( 2866 PWs) bands (ev): -19.5272 -19.5272 -6.3949 -6.3949 -6.3771 -6.3771 -6.3367 -6.3367 -6.3230 -6.3230 -6.2534 -6.2534 -5.9553 -5.9553 -5.8735 -5.8735 -5.8193 -5.8193 -5.7911 -5.7911 -5.7356 -5.7356 -5.7077 -5.7077 -4.3504 -4.3504 -4.1586 -4.1586 1.1766 1.1766 4.4234 4.4234 6.8974 6.8974 7.2957 7.2957 8.6049 8.6049 10.2256 10.2256 12.0972 12.0972 12.4685 12.4685 k = 0.3537 0.2042 0.4363 ( 2864 PWs) bands (ev): -19.5261 -19.5261 -6.3959 -6.3959 -6.3790 -6.3790 -6.3376 -6.3376 -6.3230 -6.3230 -6.2561 -6.2561 -5.9564 -5.9564 -5.8727 -5.8727 -5.8192 -5.8192 -5.7909 -5.7909 -5.7325 -5.7325 -5.7061 -5.7061 -4.3544 -4.3544 -4.1603 -4.1603 1.2150 1.2150 4.3066 4.3066 6.9714 6.9714 7.2569 7.2569 8.5570 8.5570 10.2421 10.2421 12.1328 12.1328 12.5833 12.5833 k = 0.3659 0.2112 0.4363 ( 2870 PWs) bands (ev): -19.5252 -19.5252 -6.3969 -6.3969 -6.3810 -6.3810 -6.3385 -6.3385 -6.3229 -6.3229 -6.2588 -6.2588 -5.9575 -5.9575 -5.8718 -5.8718 -5.8192 -5.8192 -5.7908 -5.7908 -5.7296 -5.7296 -5.7046 -5.7046 -4.3584 -4.3584 -4.1614 -4.1614 1.2537 1.2537 4.1957 4.1957 7.0423 7.0423 7.2215 7.2215 8.5127 8.5127 10.2585 10.2585 12.1634 12.1634 12.7000 12.7000 k = 0.3780 0.2183 0.4363 ( 2874 PWs) bands (ev): -19.5243 -19.5243 -6.3978 -6.3978 -6.3829 -6.3829 -6.3392 -6.3392 -6.3229 -6.3229 -6.2612 -6.2612 -5.9587 -5.9587 -5.8707 -5.8707 -5.8191 -5.8191 -5.7907 -5.7907 -5.7269 -5.7269 -5.7033 -5.7033 -4.3624 -4.3624 -4.1622 -4.1622 1.2921 1.2921 4.0910 4.0910 7.1085 7.1085 7.1908 7.1908 8.4720 8.4720 10.2746 10.2746 12.1887 12.1887 12.8180 12.8180 k = 0.3902 0.2253 0.4363 ( 2874 PWs) bands (ev): -19.5234 -19.5234 -6.3986 -6.3986 -6.3847 -6.3847 -6.3399 -6.3399 -6.3227 -6.3227 -6.2636 -6.2636 -5.9597 -5.9597 -5.8697 -5.8697 -5.8191 -5.8191 -5.7907 -5.7907 -5.7242 -5.7242 -5.7021 -5.7021 -4.3662 -4.3662 -4.1627 -4.1627 1.3300 1.3300 3.9930 3.9930 7.1460 7.1460 7.1880 7.1880 8.4350 8.4350 10.2902 10.2902 12.2086 12.2086 12.9366 12.9366 k = 0.4024 0.2323 0.4363 ( 2886 PWs) bands (ev): -19.5227 -19.5227 -6.3994 -6.3994 -6.3864 -6.3864 -6.3405 -6.3405 -6.3226 -6.3226 -6.2657 -6.2657 -5.9608 -5.9608 -5.8688 -5.8688 -5.8192 -5.8192 -5.7908 -5.7908 -5.7218 -5.7218 -5.7010 -5.7010 -4.3698 -4.3698 -4.1629 -4.1629 1.3666 1.3666 3.9023 3.9023 7.1267 7.1267 7.2406 7.2406 8.4017 8.4017 10.3051 10.3051 12.2231 12.2231 13.0542 13.0542 k = 0.4146 0.2394 0.4363 ( 2882 PWs) bands (ev): -19.5220 -19.5220 -6.3999 -6.3999 -6.3880 -6.3880 -6.3411 -6.3411 -6.3224 -6.3224 -6.2677 -6.2677 -5.9618 -5.9618 -5.8678 -5.8678 -5.8192 -5.8192 -5.7908 -5.7908 -5.7196 -5.7196 -5.7001 -5.7001 -4.3732 -4.3732 -4.1629 -4.1629 1.4016 1.4016 3.8196 3.8196 7.1042 7.1042 7.2946 7.2946 8.3721 8.3721 10.3190 10.3190 12.2328 12.2328 13.1464 13.1464 k = 0.4268 0.2464 0.4363 ( 2878 PWs) bands (ev): -19.5214 -19.5214 -6.4004 -6.4004 -6.3894 -6.3894 -6.3416 -6.3416 -6.3223 -6.3223 -6.2695 -6.2695 -5.9626 -5.9626 -5.8670 -5.8670 -5.8192 -5.8192 -5.7909 -5.7909 -5.7176 -5.7176 -5.6994 -5.6994 -4.3762 -4.3762 -4.1628 -4.1628 1.4342 1.4342 3.7455 3.7455 7.0840 7.0840 7.3436 7.3436 8.3463 8.3463 10.3317 10.3317 12.2384 12.2384 13.1178 13.1178 k = 0.4390 0.2535 0.4363 ( 2888 PWs) bands (ev): -19.5209 -19.5209 -6.4008 -6.4008 -6.3907 -6.3907 -6.3420 -6.3420 -6.3221 -6.3221 -6.2710 -6.2710 -5.9635 -5.9635 -5.8662 -5.8662 -5.8192 -5.8192 -5.7910 -5.7910 -5.7158 -5.7158 -5.6988 -5.6988 -4.3788 -4.3788 -4.1627 -4.1627 1.4637 1.4637 3.6808 3.6808 7.0668 7.0668 7.3865 7.3865 8.3242 8.3242 10.3429 10.3429 12.2408 12.2408 13.0812 13.0812 k = 0.4512 0.2605 0.4363 ( 2884 PWs) bands (ev): -19.5205 -19.5205 -6.4010 -6.4010 -6.3917 -6.3917 -6.3423 -6.3423 -6.3220 -6.3220 -6.2723 -6.2723 -5.9641 -5.9641 -5.8655 -5.8655 -5.8192 -5.8192 -5.7911 -5.7911 -5.7143 -5.7143 -5.6983 -5.6983 -4.3810 -4.3810 -4.1625 -4.1625 1.4893 1.4893 3.6264 3.6264 7.0527 7.0527 7.4226 7.4226 8.3061 8.3061 10.3524 10.3524 12.2410 12.2410 13.0501 13.0501 k = 0.4634 0.2676 0.4363 ( 2880 PWs) bands (ev): -19.5201 -19.5201 -6.4012 -6.4012 -6.3926 -6.3926 -6.3426 -6.3426 -6.3218 -6.3218 -6.2733 -6.2733 -5.9646 -5.9646 -5.8650 -5.8650 -5.8192 -5.8192 -5.7911 -5.7911 -5.7131 -5.7131 -5.6980 -5.6980 -4.3828 -4.3828 -4.1623 -4.1623 1.5102 1.5102 3.5830 3.5830 7.0416 7.0416 7.4513 7.4513 8.2919 8.2919 10.3601 10.3601 12.2399 12.2399 13.0255 13.0255 k = 0.4756 0.2746 0.4363 ( 2876 PWs) bands (ev): -19.5199 -19.5199 -6.4013 -6.4013 -6.3932 -6.3932 -6.3427 -6.3427 -6.3217 -6.3217 -6.2741 -6.2741 -5.9650 -5.9650 -5.8646 -5.8646 -5.8192 -5.8192 -5.7912 -5.7912 -5.7123 -5.7123 -5.6977 -5.6977 -4.3840 -4.3840 -4.1621 -4.1621 1.5257 1.5257 3.5514 3.5514 7.0337 7.0337 7.4722 7.4722 8.2816 8.2816 10.3657 10.3657 12.2384 12.2384 13.0077 13.0077 k = 0.4878 0.2816 0.4363 ( 2880 PWs) bands (ev): -19.5198 -19.5198 -6.4014 -6.4014 -6.3936 -6.3936 -6.3429 -6.3429 -6.3216 -6.3216 -6.2745 -6.2745 -5.9652 -5.9652 -5.8644 -5.8644 -5.8192 -5.8192 -5.7912 -5.7912 -5.7117 -5.7117 -5.6976 -5.6976 -4.3848 -4.3848 -4.1620 -4.1620 1.5353 1.5353 3.5322 3.5322 7.0289 7.0289 7.4849 7.4849 8.2755 8.2755 10.3691 10.3691 12.2373 12.2373 12.9970 12.9970 k = 0.5000 0.2887 0.4363 ( 2884 PWs) bands (ev): -19.5197 -19.5197 -6.4014 -6.4014 -6.3938 -6.3938 -6.3429 -6.3429 -6.3216 -6.3216 -6.2747 -6.2747 -5.9653 -5.9653 -5.8643 -5.8643 -5.8192 -5.8192 -5.7912 -5.7912 -5.7116 -5.7116 -5.6976 -5.6976 -4.3850 -4.3850 -4.1620 -4.1620 1.5385 1.5385 3.5257 3.5257 7.0274 7.0274 7.4891 7.4891 8.2734 8.2734 10.3703 10.3703 12.2368 12.2368 12.9934 12.9934 k = 0.5000 0.2887 0.4363 ( 2884 PWs) bands (ev): -19.5197 -19.5197 -6.4014 -6.4014 -6.3938 -6.3938 -6.3429 -6.3429 -6.3216 -6.3216 -6.2747 -6.2747 -5.9653 -5.9653 -5.8643 -5.8643 -5.8192 -5.8192 -5.7912 -5.7912 -5.7116 -5.7116 -5.6976 -5.6976 -4.3850 -4.3850 -4.1620 -4.1620 1.5385 1.5385 3.5257 3.5257 7.0274 7.0274 7.4891 7.4891 8.2734 8.2734 10.3703 10.3703 12.2368 12.2368 12.9934 12.9934 k = 0.4931 0.3007 0.4363 ( 2880 PWs) bands (ev): -19.5197 -19.5197 -6.4020 -6.4020 -6.3933 -6.3933 -6.3428 -6.3428 -6.3216 -6.3216 -6.2747 -6.2747 -5.9652 -5.9652 -5.8643 -5.8643 -5.8193 -5.8193 -5.7912 -5.7912 -5.7121 -5.7121 -5.6969 -5.6969 -4.3849 -4.3849 -4.1624 -4.1624 1.5400 1.5400 3.5232 3.5232 7.0242 7.0242 7.4915 7.4915 8.2731 8.2731 10.3784 10.3784 12.2376 12.2376 12.9934 12.9934 k = 0.4861 0.3127 0.4363 ( 2880 PWs) bands (ev): -19.5197 -19.5197 -6.4034 -6.4034 -6.3921 -6.3921 -6.3427 -6.3427 -6.3215 -6.3215 -6.2750 -6.2750 -5.9651 -5.9651 -5.8643 -5.8643 -5.8195 -5.8195 -5.7910 -5.7910 -5.7137 -5.7137 -5.6952 -5.6952 -4.3843 -4.3843 -4.1634 -4.1634 1.5444 1.5444 3.5156 3.5156 7.0147 7.0147 7.4985 7.4985 8.2722 8.2722 10.4026 10.4026 12.2400 12.2400 12.9933 12.9933 k = 0.4792 0.3248 0.4363 ( 2880 PWs) bands (ev): -19.5196 -19.5196 -6.4052 -6.4052 -6.3907 -6.3907 -6.3425 -6.3425 -6.3214 -6.3214 -6.2754 -6.2754 -5.9648 -5.9648 -5.8644 -5.8644 -5.8199 -5.8199 -5.7907 -5.7907 -5.7157 -5.7157 -5.6928 -5.6928 -4.3834 -4.3834 -4.1651 -4.1651 1.5517 1.5517 3.5031 3.5031 6.9994 6.9994 7.5102 7.5102 8.2707 8.2707 10.4424 10.4424 12.2439 12.2439 12.9932 12.9932 k = 0.4722 0.3368 0.4363 ( 2880 PWs) bands (ev): -19.5195 -19.5195 -6.4073 -6.4073 -6.3891 -6.3891 -6.3422 -6.3422 -6.3212 -6.3212 -6.2760 -6.2760 -5.9645 -5.9645 -5.8644 -5.8644 -5.8204 -5.8204 -5.7904 -5.7904 -5.7179 -5.7179 -5.6902 -5.6902 -4.3821 -4.3821 -4.1675 -4.1675 1.5620 1.5620 3.4856 3.4856 6.9788 6.9788 7.5264 7.5264 8.2686 8.2686 10.4969 10.4969 12.2492 12.2492 12.9930 12.9930 k = 0.4653 0.3488 0.4363 ( 2874 PWs) bands (ev): -19.5193 -19.5193 -6.4094 -6.4094 -6.3876 -6.3876 -6.3418 -6.3418 -6.3210 -6.3210 -6.2767 -6.2767 -5.9640 -5.9640 -5.8645 -5.8645 -5.8209 -5.8209 -5.7900 -5.7900 -5.7202 -5.7202 -5.6873 -5.6873 -4.3805 -4.3805 -4.1705 -4.1705 1.5752 1.5752 3.4632 3.4632 6.9538 6.9538 7.5470 7.5470 8.2659 8.2659 10.5652 10.5652 12.2558 12.2558 12.9925 12.9925 k = 0.4583 0.3608 0.4363 ( 2874 PWs) bands (ev): -19.5192 -19.5192 -6.4116 -6.4116 -6.3862 -6.3862 -6.3414 -6.3414 -6.3207 -6.3207 -6.2776 -6.2776 -5.9635 -5.9635 -5.8646 -5.8646 -5.8216 -5.8216 -5.7895 -5.7895 -5.7224 -5.7224 -5.6844 -5.6844 -4.3786 -4.3786 -4.1741 -4.1741 1.5913 1.5913 3.4361 3.4361 6.9253 6.9253 7.5718 7.5718 8.2626 8.2626 10.6459 10.6459 12.2636 12.2636 12.9916 12.9916 k = 0.4514 0.3729 0.4363 ( 2878 PWs) bands (ev): -19.5190 -19.5190 -6.4138 -6.4138 -6.3848 -6.3848 -6.3408 -6.3408 -6.3205 -6.3205 -6.2787 -6.2787 -5.9629 -5.9629 -5.8647 -5.8647 -5.8224 -5.8224 -5.7890 -5.7890 -5.7246 -5.7246 -5.6815 -5.6815 -4.3764 -4.3764 -4.1783 -4.1783 1.6104 1.6104 3.4044 3.4044 6.8941 6.8941 7.6006 7.6006 8.2589 8.2589 10.7378 10.7378 12.2722 12.2722 12.9901 12.9901 k = 0.4444 0.3849 0.4363 ( 2878 PWs) bands (ev): -19.5188 -19.5188 -6.4161 -6.4161 -6.3836 -6.3836 -6.3402 -6.3402 -6.3202 -6.3202 -6.2799 -6.2799 -5.9622 -5.9622 -5.8648 -5.8648 -5.8231 -5.8231 -5.7885 -5.7885 -5.7267 -5.7267 -5.6786 -5.6786 -4.3738 -4.3738 -4.1829 -4.1829 1.6324 1.6324 3.3682 3.3682 6.8613 6.8613 7.6331 7.6331 8.2547 8.2547 10.8394 10.8394 12.2813 12.2813 12.9879 12.9879 k = 0.4375 0.3969 0.4363 ( 2874 PWs) bands (ev): -19.5186 -19.5186 -6.4183 -6.4183 -6.3824 -6.3824 -6.3395 -6.3395 -6.3198 -6.3198 -6.2812 -6.2812 -5.9615 -5.9615 -5.8648 -5.8648 -5.8240 -5.8240 -5.7879 -5.7879 -5.7286 -5.7286 -5.6757 -5.6757 -4.3710 -4.3710 -4.1880 -4.1880 1.6573 1.6573 3.3277 3.3277 6.8276 6.8276 7.6688 7.6688 8.2502 8.2502 10.9493 10.9493 12.2905 12.2905 12.9846 12.9846 k = 0.4306 0.4090 0.4363 ( 2866 PWs) bands (ev): -19.5183 -19.5183 -6.4204 -6.4204 -6.3813 -6.3813 -6.3387 -6.3387 -6.3195 -6.3195 -6.2826 -6.2826 -5.9608 -5.9608 -5.8649 -5.8649 -5.8248 -5.8248 -5.7873 -5.7873 -5.7304 -5.7304 -5.6729 -5.6729 -4.3680 -4.3680 -4.1934 -4.1934 1.6853 1.6853 3.2831 3.2831 6.7938 6.7938 7.7073 7.7073 8.2454 8.2454 11.0659 11.0659 12.2992 12.2992 12.9800 12.9800 k = 0.4236 0.4210 0.4363 ( 2866 PWs) bands (ev): -19.5181 -19.5181 -6.4225 -6.4225 -6.3803 -6.3803 -6.3379 -6.3379 -6.3192 -6.3192 -6.2842 -6.2842 -5.9601 -5.9601 -5.8650 -5.8650 -5.8256 -5.8256 -5.7867 -5.7867 -5.7321 -5.7321 -5.6702 -5.6702 -4.3647 -4.3647 -4.1991 -4.1991 1.7161 1.7161 3.2348 3.2348 6.7606 6.7606 7.7481 7.7481 8.2404 8.2404 11.1878 11.1878 12.3068 12.3068 12.9737 12.9737 k = 0.4167 0.4330 0.4363 ( 2882 PWs) bands (ev): -19.5178 -19.5178 -6.4246 -6.4246 -6.3795 -6.3795 -6.3370 -6.3370 -6.3189 -6.3189 -6.2859 -6.2859 -5.9594 -5.9594 -5.8651 -5.8651 -5.8265 -5.8265 -5.7862 -5.7862 -5.7337 -5.7337 -5.6676 -5.6676 -4.3613 -4.3613 -4.2051 -4.2051 1.7500 1.7500 3.1828 3.1828 6.7285 6.7285 7.7905 7.7905 8.2355 8.2355 11.3132 11.3132 12.3124 12.3124 12.9653 12.9653 k = 0.4097 0.4450 0.4363 ( 2892 PWs) bands (ev): -19.5176 -19.5176 -6.4265 -6.4265 -6.3787 -6.3787 -6.3360 -6.3360 -6.3186 -6.3186 -6.2877 -6.2877 -5.9588 -5.9588 -5.8651 -5.8651 -5.8273 -5.8273 -5.7856 -5.7856 -5.7351 -5.7351 -5.6651 -5.6651 -4.3577 -4.3577 -4.2112 -4.2112 1.7868 1.7868 3.1276 3.1276 6.6981 6.6981 7.8338 7.8338 8.2307 8.2307 11.4407 11.4407 12.3150 12.3150 12.9544 12.9544 k = 0.4028 0.4571 0.4363 ( 2892 PWs) bands (ev): -19.5173 -19.5173 -6.4283 -6.4283 -6.3780 -6.3780 -6.3349 -6.3349 -6.3183 -6.3183 -6.2896 -6.2896 -5.9581 -5.9581 -5.8651 -5.8651 -5.8281 -5.8281 -5.7850 -5.7850 -5.7363 -5.7363 -5.6628 -5.6628 -4.3541 -4.3541 -4.2173 -4.2173 1.8266 1.8266 3.0693 3.0693 6.6696 6.6696 7.8773 7.8773 8.2264 8.2264 11.5685 11.5685 12.3135 12.3135 12.9404 12.9404 k = 0.3958 0.4691 0.4363 ( 2894 PWs) bands (ev): -19.5170 -19.5170 -6.4300 -6.4300 -6.3774 -6.3774 -6.3338 -6.3338 -6.3180 -6.3180 -6.2916 -6.2916 -5.9576 -5.9576 -5.8650 -5.8650 -5.8289 -5.8289 -5.7845 -5.7845 -5.7375 -5.7375 -5.6607 -5.6607 -4.3504 -4.3504 -4.2234 -4.2234 1.8694 1.8694 3.0084 3.0084 6.6434 6.6434 7.9200 7.9200 8.2227 8.2227 11.6949 11.6949 12.3072 12.3072 12.9231 12.9231 k = 0.3889 0.4811 0.4363 ( 2886 PWs) bands (ev): -19.5168 -19.5168 -6.4316 -6.4316 -6.3769 -6.3769 -6.3326 -6.3326 -6.3178 -6.3178 -6.2935 -6.2935 -5.9570 -5.9570 -5.8649 -5.8649 -5.8296 -5.8296 -5.7840 -5.7840 -5.7384 -5.7384 -5.6587 -5.6587 -4.3467 -4.3467 -4.2293 -4.2293 1.9151 1.9151 2.9451 2.9451 6.6196 6.6196 7.9608 7.9608 8.2201 8.2201 11.8181 11.8181 12.2955 12.2955 12.9019 12.9019 k = 0.3819 0.4932 0.4363 ( 2892 PWs) bands (ev): -19.5166 -19.5166 -6.4330 -6.4330 -6.3765 -6.3765 -6.3313 -6.3313 -6.3176 -6.3176 -6.2955 -6.2955 -5.9566 -5.9566 -5.8648 -5.8648 -5.8303 -5.8303 -5.7836 -5.7836 -5.7393 -5.7393 -5.6570 -5.6570 -4.3431 -4.3431 -4.2349 -4.2349 1.9639 1.9639 2.8797 2.8797 6.5985 6.5985 7.9985 7.9985 8.2189 8.2189 11.9363 11.9363 12.2786 12.2786 12.8766 12.8766 k = 0.3750 0.5052 0.4363 ( 2888 PWs) bands (ev): -19.5163 -19.5163 -6.4342 -6.4342 -6.3761 -6.3761 -6.3300 -6.3300 -6.3174 -6.3174 -6.2975 -6.2975 -5.9562 -5.9562 -5.8646 -5.8646 -5.8309 -5.8309 -5.7832 -5.7832 -5.7400 -5.7400 -5.6554 -5.6554 -4.3398 -4.3398 -4.2402 -4.2402 2.0156 2.0156 2.8126 2.8126 6.5801 6.5801 8.0317 8.0317 8.2198 8.2198 12.0477 12.0477 12.2582 12.2582 12.8470 12.8470 k = 0.3681 0.5172 0.4363 ( 2902 PWs) bands (ev): -19.5161 -19.5161 -6.4353 -6.4353 -6.3759 -6.3759 -6.3287 -6.3287 -6.3173 -6.3173 -6.2994 -6.2994 -5.9559 -5.9559 -5.8645 -5.8645 -5.8315 -5.8315 -5.7828 -5.7828 -5.7406 -5.7406 -5.6541 -5.6541 -4.3367 -4.3367 -4.2450 -4.2450 2.0704 2.0704 2.7440 2.7440 6.5646 6.5646 8.0593 8.0593 8.2231 8.2231 12.1484 12.1484 12.2386 12.2386 12.8127 12.8127 k = 0.3611 0.5292 0.4363 ( 2902 PWs) bands (ev): -19.5160 -19.5160 -6.4362 -6.4362 -6.3757 -6.3757 -6.3274 -6.3274 -6.3172 -6.3172 -6.3011 -6.3011 -5.9557 -5.9557 -5.8643 -5.8643 -5.8319 -5.8319 -5.7825 -5.7825 -5.7411 -5.7411 -5.6530 -5.6530 -4.3340 -4.3340 -4.2491 -4.2491 2.1282 2.1282 2.6743 2.6743 6.5518 6.5518 8.0804 8.0804 8.2289 8.2289 12.1963 12.1963 12.2635 12.2635 12.7735 12.7735 k = 0.3542 0.5413 0.4363 ( 2902 PWs) bands (ev): -19.5158 -19.5158 -6.4369 -6.4369 -6.3755 -6.3755 -6.3262 -6.3262 -6.3172 -6.3172 -6.3027 -6.3027 -5.9556 -5.9556 -5.8641 -5.8641 -5.8323 -5.8323 -5.7823 -5.7823 -5.7414 -5.7414 -5.6521 -5.6521 -4.3318 -4.3318 -4.2524 -4.2524 2.1890 2.1890 2.6038 2.6038 6.5419 6.5419 8.0950 8.0950 8.2362 8.2362 12.1815 12.1815 12.3448 12.3448 12.7291 12.7291 k = 0.3472 0.5533 0.4363 ( 2906 PWs) bands (ev): -19.5157 -19.5157 -6.4374 -6.4374 -6.3755 -6.3755 -6.3251 -6.3251 -6.3173 -6.3173 -6.3039 -6.3039 -5.9555 -5.9555 -5.8639 -5.8639 -5.8326 -5.8326 -5.7821 -5.7821 -5.7417 -5.7417 -5.6515 -5.6515 -4.3302 -4.3302 -4.2549 -4.2549 2.2527 2.2527 2.5327 2.5327 6.5349 6.5349 8.1042 8.1042 8.2434 8.2434 12.1655 12.1655 12.4231 12.4231 12.6797 12.6797 k = 0.3403 0.5653 0.4363 ( 2902 PWs) bands (ev): -19.5157 -19.5157 -6.4378 -6.4378 -6.3754 -6.3754 -6.3244 -6.3244 -6.3173 -6.3173 -6.3048 -6.3048 -5.9554 -5.9554 -5.8638 -5.8638 -5.8328 -5.8328 -5.7820 -5.7820 -5.7418 -5.7418 -5.6511 -5.6511 -4.3292 -4.3292 -4.2563 -4.2563 2.3195 2.3195 2.4615 2.4615 6.5307 6.5307 8.1091 8.1091 8.2486 8.2486 12.1548 12.1548 12.4934 12.4934 12.6261 12.6261 k = 0.3333 0.5774 0.4363 ( 2898 PWs) bands (ev): -19.5156 -19.5156 -6.4379 -6.4379 -6.3754 -6.3754 -6.3241 -6.3241 -6.3173 -6.3173 -6.3051 -6.3051 -5.9554 -5.9554 -5.8638 -5.8638 -5.8328 -5.8328 -5.7819 -5.7819 -5.7418 -5.7418 -5.6509 -5.6509 -4.3289 -4.3289 -4.2568 -4.2568 2.3831 2.3831 2.3962 2.3962 6.5293 6.5293 8.1107 8.1107 8.2505 8.2505 12.1510 12.1510 12.5411 12.5411 12.5837 12.5837 k = 0.3333 0.5774 0.4363 ( 2898 PWs) bands (ev): -19.5156 -19.5156 -6.4379 -6.4379 -6.3754 -6.3754 -6.3241 -6.3241 -6.3173 -6.3173 -6.3051 -6.3051 -5.9554 -5.9554 -5.8638 -5.8638 -5.8328 -5.8328 -5.7819 -5.7819 -5.7418 -5.7418 -5.6509 -5.6509 -4.3289 -4.3289 -4.2568 -4.2568 2.3831 2.3831 2.3962 2.3962 6.5293 6.5293 8.1107 8.1107 8.2505 8.2505 12.1510 12.1510 12.5411 12.5411 12.5837 12.5837 k = 0.3264 0.5653 0.4363 ( 2910 PWs) bands (ev): -19.5157 -19.5157 -6.4378 -6.4378 -6.3754 -6.3754 -6.3244 -6.3244 -6.3173 -6.3173 -6.3048 -6.3048 -5.9554 -5.9554 -5.8638 -5.8638 -5.8328 -5.8328 -5.7820 -5.7820 -5.7418 -5.7418 -5.6511 -5.6511 -4.3292 -4.3292 -4.2564 -4.2564 2.3181 2.3181 2.4629 2.4629 6.5307 6.5307 8.1090 8.1090 8.2486 8.2486 12.1549 12.1549 12.4942 12.4942 12.6259 12.6259 k = 0.3194 0.5533 0.4363 ( 2898 PWs) bands (ev): -19.5157 -19.5157 -6.4374 -6.4374 -6.3754 -6.3754 -6.3251 -6.3251 -6.3173 -6.3173 -6.3038 -6.3038 -5.9554 -5.9554 -5.8639 -5.8639 -5.8326 -5.8326 -5.7821 -5.7821 -5.7417 -5.7417 -5.6514 -5.6514 -4.3299 -4.3299 -4.2551 -4.2551 2.2473 2.2473 2.5388 2.5388 6.5348 6.5348 8.1033 8.1033 8.2438 8.2438 12.1665 12.1665 12.4275 12.4275 12.6795 12.6795 k = 0.3125 0.5413 0.4363 ( 2898 PWs) bands (ev): -19.5159 -19.5159 -6.4369 -6.4369 -6.3755 -6.3755 -6.3262 -6.3262 -6.3173 -6.3173 -6.3025 -6.3025 -5.9554 -5.9554 -5.8642 -5.8642 -5.8323 -5.8323 -5.7822 -5.7822 -5.7415 -5.7415 -5.6521 -5.6521 -4.3310 -4.3310 -4.2532 -4.2532 2.1770 2.1770 2.6178 2.6178 6.5417 6.5417 8.0918 8.0918 8.2379 8.2379 12.1849 12.1849 12.3570 12.3570 12.7309 12.7309 k = 0.3056 0.5292 0.4363 ( 2890 PWs) bands (ev): -19.5160 -19.5160 -6.4362 -6.4362 -6.3755 -6.3755 -6.3274 -6.3274 -6.3173 -6.3173 -6.3007 -6.3007 -5.9554 -5.9554 -5.8646 -5.8646 -5.8319 -5.8319 -5.7825 -5.7825 -5.7413 -5.7413 -5.6530 -5.6530 -4.3322 -4.3322 -4.2507 -4.2507 2.1075 2.1075 2.6999 2.6999 6.5514 6.5514 8.0722 8.0722 8.2335 8.2335 12.2055 12.2055 12.2877 12.2877 12.7800 12.7800 k = 0.2986 0.5172 0.4363 ( 2890 PWs) bands (ev): -19.5163 -19.5163 -6.4353 -6.4353 -6.3755 -6.3755 -6.3287 -6.3287 -6.3175 -6.3175 -6.2986 -6.2986 -5.9554 -5.9554 -5.8650 -5.8650 -5.8314 -5.8314 -5.7828 -5.7828 -5.7411 -5.7411 -5.6542 -5.6542 -4.3334 -4.3334 -4.2478 -4.2478 2.0388 2.0388 2.7850 2.7850 6.5637 6.5637 8.0430 8.0430 8.2326 8.2326 12.1869 12.1869 12.2601 12.2601 12.8273 12.8273 k = 0.2917 0.5052 0.4363 ( 2886 PWs) bands (ev): -19.5166 -19.5166 -6.4341 -6.4341 -6.3755 -6.3755 -6.3300 -6.3300 -6.3176 -6.3176 -6.2962 -6.2962 -5.9553 -5.9553 -5.8656 -5.8656 -5.8308 -5.8308 -5.7831 -5.7831 -5.7408 -5.7408 -5.6556 -5.6556 -4.3345 -4.3345 -4.2447 -4.2447 1.9712 1.9712 2.8733 2.8733 6.5788 6.5788 8.0040 8.0040 8.2360 8.2360 12.1151 12.1151 12.2868 12.2868 12.8723 12.8723 k = 0.2847 0.4932 0.4363 ( 2880 PWs) bands (ev): -19.5169 -19.5169 -6.4328 -6.4328 -6.3755 -6.3755 -6.3313 -6.3313 -6.3178 -6.3178 -6.2937 -6.2937 -5.9551 -5.9551 -5.8663 -5.8663 -5.8302 -5.8302 -5.7835 -5.7835 -5.7405 -5.7405 -5.6573 -5.6573 -4.3355 -4.3355 -4.2413 -4.2413 1.9049 1.9049 2.9645 2.9645 6.5965 6.5965 7.9560 7.9560 8.2437 8.2437 12.0358 12.0358 12.3197 12.3197 12.9028 12.9028 k = 0.2778 0.4811 0.4363 ( 2890 PWs) bands (ev): -19.5174 -19.5174 -6.4313 -6.4313 -6.3755 -6.3755 -6.3325 -6.3325 -6.3180 -6.3180 -6.2911 -6.2911 -5.9550 -5.9550 -5.8671 -5.8671 -5.8296 -5.8296 -5.7839 -5.7839 -5.7403 -5.7403 -5.6592 -5.6592 -4.3363 -4.3363 -4.2377 -4.2377 1.8398 1.8398 3.0589 3.0589 6.6169 6.6169 7.9003 7.9003 8.2552 8.2552 11.9545 11.9545 12.3496 12.3496 12.8810 12.8810 k = 0.2708 0.4691 0.4363 ( 2898 PWs) bands (ev): -19.5179 -19.5179 -6.4297 -6.4297 -6.3754 -6.3754 -6.3337 -6.3337 -6.3182 -6.3182 -6.2884 -6.2884 -5.9548 -5.9548 -5.8680 -5.8680 -5.8289 -5.8289 -5.7844 -5.7844 -5.7402 -5.7402 -5.6614 -5.6614 -4.3369 -4.3369 -4.2341 -4.2341 1.7762 1.7762 3.1563 3.1563 6.6400 6.6400 7.8380 7.8380 8.2701 8.2701 11.8725 11.8725 12.3712 12.3712 12.8484 12.8484 k = 0.2639 0.4571 0.4363 ( 2886 PWs) bands (ev): -19.5184 -19.5184 -6.4278 -6.4278 -6.3752 -6.3752 -6.3346 -6.3346 -6.3184 -6.3184 -6.2855 -6.2855 -5.9544 -5.9544 -5.8689 -5.8689 -5.8282 -5.8282 -5.7848 -5.7848 -5.7400 -5.7400 -5.6638 -5.6638 -4.3372 -4.3372 -4.2303 -4.2303 1.7140 1.7140 3.2567 3.2567 6.6658 6.6658 7.7700 7.7700 8.2882 8.2882 11.7902 11.7902 12.3791 12.3791 12.8226 12.8226 k = 0.2569 0.4450 0.4363 ( 2886 PWs) bands (ev): -19.5190 -19.5190 -6.4258 -6.4258 -6.3751 -6.3751 -6.3355 -6.3355 -6.3186 -6.3186 -6.2825 -6.2825 -5.9540 -5.9540 -5.8698 -5.8698 -5.8276 -5.8276 -5.7853 -5.7853 -5.7399 -5.7399 -5.6664 -5.6664 -4.3372 -4.3372 -4.2264 -4.2264 1.6535 1.6535 3.3603 3.3603 6.6943 6.6943 7.6974 7.6974 8.3094 8.3094 11.7081 11.7081 12.3701 12.3701 12.8067 12.8067 k = 0.2500 0.4330 0.4363 ( 2886 PWs) bands (ev): -19.5197 -19.5197 -6.4237 -6.4237 -6.3748 -6.3748 -6.3362 -6.3362 -6.3188 -6.3188 -6.2795 -6.2795 -5.9536 -5.9536 -5.8708 -5.8708 -5.8270 -5.8270 -5.7858 -5.7858 -5.7400 -5.7400 -5.6692 -5.6692 -4.3369 -4.3369 -4.2225 -4.2225 1.5946 1.5946 3.4668 3.4668 6.7255 6.7255 7.6209 7.6209 8.3337 8.3337 11.6264 11.6264 12.3444 12.3444 12.7986 12.7986 k = 0.2431 0.4210 0.4363 ( 2886 PWs) bands (ev): -19.5205 -19.5205 -6.4215 -6.4215 -6.3745 -6.3745 -6.3368 -6.3368 -6.3191 -6.3191 -6.2765 -6.2765 -5.9531 -5.9531 -5.8718 -5.8718 -5.8264 -5.8264 -5.7863 -5.7863 -5.7401 -5.7401 -5.6722 -5.6722 -4.3365 -4.3365 -4.2184 -4.2184 1.5374 1.5374 3.5765 3.5765 6.7593 6.7593 7.5412 7.5412 8.3609 8.3609 11.5455 11.5455 12.3052 12.3052 12.7931 12.7931 k = 0.2361 0.4090 0.4363 ( 2878 PWs) bands (ev): -19.5213 -19.5213 -6.4190 -6.4190 -6.3741 -6.3741 -6.3372 -6.3372 -6.3192 -6.3192 -6.2733 -6.2733 -5.9525 -5.9525 -5.8728 -5.8728 -5.8258 -5.8258 -5.7868 -5.7868 -5.7403 -5.7403 -5.6754 -5.6754 -4.3358 -4.3358 -4.2142 -4.2142 1.4819 1.4819 3.6892 3.6892 6.7959 6.7959 7.4589 7.4589 8.3912 8.3912 11.4657 11.4657 12.2567 12.2567 12.7846 12.7846 k = 0.2292 0.3969 0.4363 ( 2874 PWs) bands (ev): -19.5221 -19.5221 -6.4166 -6.4166 -6.3736 -6.3736 -6.3375 -6.3375 -6.3194 -6.3194 -6.2702 -6.2702 -5.9520 -5.9520 -5.8737 -5.8737 -5.8254 -5.8254 -5.7873 -5.7873 -5.7407 -5.7407 -5.6787 -5.6787 -4.3349 -4.3349 -4.2098 -4.2098 1.4283 1.4283 3.8049 3.8049 6.8351 6.8351 7.3746 7.3746 8.4245 8.4245 11.3870 11.3870 12.2023 12.2023 12.7684 12.7684 k = 0.2222 0.3849 0.4363 ( 2858 PWs) bands (ev): -19.5230 -19.5230 -6.4140 -6.4140 -6.3730 -6.3730 -6.3376 -6.3376 -6.3196 -6.3196 -6.2670 -6.2670 -5.9513 -5.9513 -5.8746 -5.8746 -5.8249 -5.8249 -5.7877 -5.7877 -5.7412 -5.7412 -5.6821 -5.6821 -4.3339 -4.3339 -4.2053 -4.2053 1.3764 1.3764 3.9236 3.9236 6.8768 6.8768 7.2890 7.2890 8.4608 8.4608 11.3097 11.3097 12.1443 12.1443 12.7419 12.7419 k = 0.2153 0.3729 0.4363 ( 2858 PWs) bands (ev): -19.5240 -19.5240 -6.4114 -6.4114 -6.3724 -6.3724 -6.3375 -6.3375 -6.3197 -6.3197 -6.2638 -6.2638 -5.9507 -5.9507 -5.8754 -5.8754 -5.8246 -5.8246 -5.7882 -5.7882 -5.7419 -5.7419 -5.6856 -5.6856 -4.3328 -4.3328 -4.2005 -4.2005 1.3264 1.3264 4.0454 4.0454 6.9208 6.9208 7.2026 7.2026 8.5003 8.5003 11.2339 11.2339 12.0843 12.0843 12.7041 12.7041 k = 0.2083 0.3608 0.4363 ( 2862 PWs) bands (ev): -19.5250 -19.5250 -6.4088 -6.4088 -6.3716 -6.3716 -6.3373 -6.3373 -6.3198 -6.3198 -6.2606 -6.2606 -5.9502 -5.9502 -5.8761 -5.8761 -5.8243 -5.8243 -5.7887 -5.7887 -5.7427 -5.7427 -5.6892 -5.6892 -4.3316 -4.3316 -4.1954 -4.1954 1.2782 1.2782 4.1702 4.1702 6.9659 6.9659 7.1173 7.1173 8.5429 8.5429 11.1598 11.1598 12.0233 12.0233 12.6551 12.6551 k = 0.2014 0.3488 0.4363 ( 2858 PWs) bands (ev): -19.5261 -19.5261 -6.4062 -6.4062 -6.3708 -6.3708 -6.3370 -6.3370 -6.3199 -6.3199 -6.2573 -6.2573 -5.9496 -5.9496 -5.8767 -5.8767 -5.8241 -5.8241 -5.7892 -5.7892 -5.7437 -5.7437 -5.6929 -5.6929 -4.3304 -4.3304 -4.1901 -4.1901 1.2318 1.2318 4.2981 4.2981 6.9944 6.9944 7.0509 7.0509 8.5887 8.5887 11.0874 11.0874 11.9621 11.9621 12.5960 12.5960 k = 0.1944 0.3368 0.4363 ( 2862 PWs) bands (ev): -19.5272 -19.5272 -6.4036 -6.4036 -6.3699 -6.3699 -6.3365 -6.3365 -6.3200 -6.3200 -6.2541 -6.2541 -5.9492 -5.9492 -5.8772 -5.8772 -5.8240 -5.8240 -5.7898 -5.7898 -5.7449 -5.7449 -5.6966 -5.6966 -4.3292 -4.3292 -4.1844 -4.1844 1.1873 1.1873 4.4289 4.4289 6.9296 6.9296 7.0804 7.0804 8.6377 8.6377 11.0168 11.0168 11.9010 11.9010 12.5282 12.5282 k = 0.1875 0.3248 0.4363 ( 2862 PWs) bands (ev): -19.5283 -19.5283 -6.4010 -6.4010 -6.3690 -6.3690 -6.3358 -6.3358 -6.3200 -6.3200 -6.2509 -6.2509 -5.9488 -5.9488 -5.8775 -5.8775 -5.8241 -5.8241 -5.7903 -5.7903 -5.7463 -5.7463 -5.7003 -5.7003 -4.3281 -4.3281 -4.1784 -4.1784 1.1446 1.1446 4.5627 4.5627 6.8443 6.8443 7.1336 7.1336 8.6899 8.6899 10.9482 10.9482 11.8405 11.8405 12.4535 12.4535 k = 0.1806 0.3127 0.4363 ( 2870 PWs) bands (ev): -19.5295 -19.5295 -6.3985 -6.3985 -6.3680 -6.3680 -6.3349 -6.3349 -6.3199 -6.3199 -6.2476 -6.2476 -5.9485 -5.9485 -5.8776 -5.8776 -5.8242 -5.8242 -5.7909 -5.7909 -5.7479 -5.7479 -5.7039 -5.7039 -4.3270 -4.3270 -4.1719 -4.1719 1.1037 1.1037 4.6994 4.6994 6.7577 6.7577 7.1913 7.1913 8.7454 8.7454 10.8816 10.8816 11.7806 11.7806 12.3736 12.3736 k = 0.1736 0.3007 0.4363 ( 2866 PWs) bands (ev): -19.5307 -19.5307 -6.3961 -6.3961 -6.3669 -6.3669 -6.3339 -6.3339 -6.3198 -6.3198 -6.2444 -6.2444 -5.9484 -5.9484 -5.8774 -5.8774 -5.8244 -5.8244 -5.7915 -5.7915 -5.7496 -5.7496 -5.7075 -5.7075 -4.3261 -4.3261 -4.1651 -4.1651 1.0647 1.0647 4.8392 4.8392 6.6715 6.6715 7.2521 7.2521 8.8040 8.8040 10.8170 10.8170 11.7217 11.7217 12.2901 12.2901 k = 0.1667 0.2887 0.4363 ( 2862 PWs) bands (ev): -19.5319 -19.5319 -6.3937 -6.3937 -6.3658 -6.3658 -6.3328 -6.3328 -6.3197 -6.3197 -6.2412 -6.2412 -5.9483 -5.9483 -5.8770 -5.8770 -5.8248 -5.8248 -5.7922 -5.7922 -5.7514 -5.7514 -5.7110 -5.7110 -4.3254 -4.3254 -4.1579 -4.1579 1.0275 1.0275 4.9818 4.9818 6.5863 6.5863 7.3158 7.3158 8.8659 8.8659 10.7546 10.7546 11.6637 11.6637 12.2044 12.2044 k = 0.1597 0.2766 0.4363 ( 2870 PWs) bands (ev): -19.5332 -19.5332 -6.3915 -6.3915 -6.3647 -6.3647 -6.3316 -6.3316 -6.3195 -6.3195 -6.2381 -6.2381 -5.9484 -5.9484 -5.8765 -5.8765 -5.8254 -5.8254 -5.7929 -5.7929 -5.7534 -5.7534 -5.7145 -5.7145 -4.3247 -4.3247 -4.1503 -4.1503 0.9920 0.9920 5.1274 5.1274 6.5023 6.5023 7.3821 7.3821 8.9311 8.9311 10.6942 10.6942 11.6068 11.6068 12.1179 12.1179 k = 0.1528 0.2646 0.4363 ( 2870 PWs) bands (ev): -19.5344 -19.5344 -6.3893 -6.3893 -6.3636 -6.3636 -6.3302 -6.3302 -6.3191 -6.3191 -6.2350 -6.2350 -5.9485 -5.9485 -5.8756 -5.8756 -5.8263 -5.8263 -5.7936 -5.7936 -5.7554 -5.7554 -5.7178 -5.7178 -4.3243 -4.3243 -4.1424 -4.1424 0.9583 0.9583 5.2759 5.2759 6.4198 6.4198 7.4510 7.4510 8.9994 8.9994 10.6361 10.6361 11.5509 11.5509 12.0315 12.0315 k = 0.1458 0.2526 0.4363 ( 2874 PWs) bands (ev): -19.5357 -19.5357 -6.3873 -6.3873 -6.3625 -6.3625 -6.3288 -6.3288 -6.3186 -6.3186 -6.2319 -6.2319 -5.9488 -5.9488 -5.8745 -5.8745 -5.8273 -5.8273 -5.7943 -5.7943 -5.7575 -5.7575 -5.7211 -5.7211 -4.3240 -4.3240 -4.1341 -4.1341 0.9263 0.9263 5.4272 5.4272 6.3391 6.3391 7.5225 7.5225 9.0708 9.0708 10.5800 10.5800 11.4960 11.4960 11.9463 11.9463 k = 0.1389 0.2406 0.4363 ( 2872 PWs) bands (ev): -19.5369 -19.5369 -6.3853 -6.3853 -6.3614 -6.3614 -6.3275 -6.3275 -6.3178 -6.3178 -6.2290 -6.2290 -5.9491 -5.9491 -5.8733 -5.8733 -5.8287 -5.8287 -5.7950 -5.7950 -5.7595 -5.7595 -5.7242 -5.7242 -4.3238 -4.3238 -4.1255 -4.1255 0.8960 0.8960 5.5815 5.5815 6.2604 6.2604 7.5963 7.5963 9.1454 9.1454 10.5262 10.5262 11.4420 11.4420 11.8629 11.8629 k = 0.1319 0.2285 0.4363 ( 2864 PWs) bands (ev): -19.5381 -19.5381 -6.3834 -6.3834 -6.3604 -6.3604 -6.3263 -6.3263 -6.3168 -6.3168 -6.2261 -6.2261 -5.9494 -5.9494 -5.8718 -5.8718 -5.8304 -5.8304 -5.7956 -5.7956 -5.7615 -5.7615 -5.7273 -5.7273 -4.3238 -4.3238 -4.1167 -4.1167 0.8675 0.8675 5.7385 5.7385 6.1840 6.1840 7.6725 7.6725 9.2230 9.2230 10.4745 10.4745 11.3889 11.3889 11.7819 11.7819 k = 0.1250 0.2165 0.4363 ( 2864 PWs) bands (ev): -19.5394 -19.5394 -6.3816 -6.3816 -6.3595 -6.3595 -6.3252 -6.3252 -6.3154 -6.3154 -6.2233 -6.2233 -5.9498 -5.9498 -5.8701 -5.8701 -5.8324 -5.8324 -5.7962 -5.7962 -5.7634 -5.7634 -5.7303 -5.7303 -4.3239 -4.3239 -4.1077 -4.1077 0.8405 0.8405 5.8982 5.8982 6.1100 6.1100 7.7509 7.7509 9.3035 9.3035 10.4250 10.4250 11.3365 11.3365 11.7035 11.7035 k = 0.1181 0.2045 0.4363 ( 2868 PWs) bands (ev): -19.5406 -19.5406 -6.3800 -6.3800 -6.3586 -6.3586 -6.3244 -6.3244 -6.3138 -6.3138 -6.2206 -6.2206 -5.9501 -5.9501 -5.8683 -5.8683 -5.8348 -5.8348 -5.7967 -5.7967 -5.7651 -5.7651 -5.7333 -5.7333 -4.3242 -4.3242 -4.0986 -4.0986 0.8152 0.8152 6.0366 6.0366 6.0628 6.0628 7.8313 7.8313 9.3869 9.3869 10.3775 10.3775 11.2849 11.2849 11.6271 11.6271 k = 0.1111 0.1925 0.4363 ( 2864 PWs) bands (ev): -19.5417 -19.5417 -6.3784 -6.3784 -6.3578 -6.3578 -6.3238 -6.3238 -6.3118 -6.3118 -6.2181 -6.2181 -5.9504 -5.9504 -5.8665 -5.8665 -5.8376 -5.8376 -5.7971 -5.7971 -5.7667 -5.7667 -5.7362 -5.7362 -4.3245 -4.3245 -4.0894 -4.0894 0.7916 0.7916 5.9697 5.9697 6.2264 6.2264 7.9136 7.9136 9.4729 9.4729 10.3320 10.3320 11.2340 11.2340 11.5513 11.5513 k = 0.1042 0.1804 0.4363 ( 2876 PWs) bands (ev): -19.5429 -19.5429 -6.3769 -6.3769 -6.3572 -6.3572 -6.3233 -6.3233 -6.3096 -6.3096 -6.2157 -6.2157 -5.9506 -5.9506 -5.8646 -5.8646 -5.8407 -5.8407 -5.7973 -5.7973 -5.7683 -5.7683 -5.7392 -5.7392 -4.3249 -4.3249 -4.0802 -4.0802 0.7695 0.7695 5.9042 5.9042 6.3943 6.3943 7.9976 7.9976 9.5615 9.5615 10.2885 10.2885 11.1839 11.1839 11.4727 11.4727 k = 0.0972 0.1684 0.4363 ( 2872 PWs) bands (ev): -19.5439 -19.5439 -6.3754 -6.3754 -6.3565 -6.3565 -6.3230 -6.3230 -6.3073 -6.3073 -6.2134 -6.2134 -5.9506 -5.9506 -5.8626 -5.8626 -5.8440 -5.8440 -5.7974 -5.7974 -5.7696 -5.7696 -5.7420 -5.7420 -4.3254 -4.3254 -4.0711 -4.0711 0.7489 0.7489 5.8419 5.8419 6.5648 6.5648 8.0831 8.0831 9.6524 9.6524 10.2467 10.2467 11.1348 11.1348 11.3888 11.3888 k = 0.0903 0.1564 0.4363 ( 2864 PWs) bands (ev): -19.5450 -19.5450 -6.3740 -6.3740 -6.3559 -6.3559 -6.3227 -6.3227 -6.3048 -6.3048 -6.2113 -6.2113 -5.9505 -5.9505 -5.8609 -5.8609 -5.8474 -5.8474 -5.7974 -5.7974 -5.7707 -5.7707 -5.7449 -5.7449 -4.3260 -4.3260 -4.0622 -4.0622 0.7299 0.7299 5.7830 5.7830 6.7379 6.7379 8.1698 8.1698 9.7454 9.7454 10.2064 10.2064 11.0868 11.0868 11.3002 11.3002 k = 0.0833 0.1443 0.4363 ( 2844 PWs) bands (ev): -19.5460 -19.5460 -6.3727 -6.3727 -6.3554 -6.3554 -6.3224 -6.3224 -6.3024 -6.3024 -6.2094 -6.2094 -5.9501 -5.9501 -5.8597 -5.8597 -5.8504 -5.8504 -5.7972 -5.7972 -5.7717 -5.7717 -5.7477 -5.7477 -4.3265 -4.3265 -4.0536 -4.0536 0.7124 0.7124 5.7276 5.7276 6.9134 6.9134 8.2573 8.2573 9.8400 9.8400 10.1673 10.1673 11.0404 11.0404 11.2091 11.2091 k = 0.0764 0.1323 0.4363 ( 2844 PWs) bands (ev): -19.5469 -19.5469 -6.3715 -6.3715 -6.3550 -6.3550 -6.3222 -6.3222 -6.3000 -6.3000 -6.2077 -6.2077 -5.9496 -5.9496 -5.8603 -5.8603 -5.8518 -5.8518 -5.7969 -5.7969 -5.7727 -5.7727 -5.7505 -5.7505 -4.3271 -4.3271 -4.0453 -4.0453 0.6964 0.6964 5.6760 5.6760 7.0912 7.0912 8.3453 8.3453 9.9359 9.9359 10.1289 10.1289 10.9958 10.9958 11.1171 11.1171 k = 0.0694 0.1203 0.4363 ( 2840 PWs) bands (ev): -19.5478 -19.5478 -6.3704 -6.3704 -6.3546 -6.3546 -6.3220 -6.3220 -6.2976 -6.2976 -6.2062 -6.2062 -5.9488 -5.9488 -5.8631 -5.8631 -5.8512 -5.8512 -5.7965 -5.7965 -5.7735 -5.7735 -5.7532 -5.7532 -4.3277 -4.3277 -4.0374 -4.0374 0.6818 0.6818 5.6283 5.6283 7.2713 7.2713 8.4333 8.4333 10.0324 10.0324 10.0905 10.0905 10.9533 10.9533 11.0258 11.0258 k = 0.0625 0.1083 0.4363 ( 2840 PWs) bands (ev): -19.5486 -19.5486 -6.3694 -6.3694 -6.3543 -6.3543 -6.3219 -6.3219 -6.2953 -6.2953 -6.2049 -6.2049 -5.9479 -5.9479 -5.8669 -5.8669 -5.8497 -5.8497 -5.7960 -5.7960 -5.7742 -5.7742 -5.7559 -5.7559 -4.3282 -4.3282 -4.0300 -4.0300 0.6687 0.6687 5.5846 5.5846 7.4535 7.4535 8.5206 8.5206 10.0508 10.0508 10.1291 10.1291 10.9106 10.9106 10.9387 10.9387 k = 0.0556 0.0962 0.4363 ( 2844 PWs) bands (ev): -19.5493 -19.5493 -6.3685 -6.3685 -6.3540 -6.3540 -6.3218 -6.3218 -6.2932 -6.2932 -6.2037 -6.2037 -5.9468 -5.9468 -5.8710 -5.8710 -5.8480 -5.8480 -5.7954 -5.7954 -5.7748 -5.7748 -5.7586 -5.7586 -4.3288 -4.3288 -4.0231 -4.0231 0.6570 0.6570 5.5451 5.5451 7.6376 7.6376 8.6064 8.6064 10.0084 10.0084 10.2245 10.2245 10.8409 10.8409 10.8837 10.8837 k = 0.0486 0.0842 0.4363 ( 2844 PWs) bands (ev): -19.5500 -19.5500 -6.3677 -6.3677 -6.3538 -6.3538 -6.3217 -6.3217 -6.2912 -6.2912 -6.2028 -6.2028 -5.9455 -5.9455 -5.8751 -5.8751 -5.8463 -5.8463 -5.7947 -5.7947 -5.7753 -5.7753 -5.7612 -5.7612 -4.3293 -4.3293 -4.0169 -4.0169 0.6468 0.6468 5.5099 5.5099 7.8232 7.8232 8.6898 8.6898 9.9606 9.9606 10.3175 10.3175 10.7568 10.7568 10.8498 10.8498 k = 0.0417 0.0722 0.4363 ( 2842 PWs) bands (ev): -19.5506 -19.5506 -6.3669 -6.3669 -6.3536 -6.3536 -6.3216 -6.3216 -6.2895 -6.2895 -6.2019 -6.2019 -5.9440 -5.9440 -5.8791 -5.8791 -5.8447 -5.8447 -5.7940 -5.7940 -5.7758 -5.7758 -5.7637 -5.7637 -4.3297 -4.3297 -4.0113 -4.0113 0.6379 0.6379 5.4792 5.4792 8.0102 8.0102 8.7696 8.7696 9.9035 9.9035 10.4060 10.4060 10.6757 10.6757 10.8191 10.8191 k = 0.0347 0.0601 0.4363 ( 2842 PWs) bands (ev): -19.5510 -19.5510 -6.3663 -6.3663 -6.3535 -6.3535 -6.3216 -6.3216 -6.2879 -6.2879 -6.2013 -6.2013 -5.9424 -5.9424 -5.8829 -5.8829 -5.8433 -5.8433 -5.7932 -5.7932 -5.7761 -5.7761 -5.7660 -5.7660 -4.3301 -4.3301 -4.0065 -4.0065 0.6304 0.6304 5.4530 5.4530 8.1978 8.1978 8.8440 8.8440 9.8318 9.8318 10.4857 10.4857 10.6008 10.6008 10.7278 10.7278 k = 0.0278 0.0481 0.4363 ( 2840 PWs) bands (ev): -19.5515 -19.5515 -6.3658 -6.3658 -6.3533 -6.3533 -6.3215 -6.3215 -6.2866 -6.2866 -6.2008 -6.2008 -5.9409 -5.9409 -5.8863 -5.8863 -5.8420 -5.8420 -5.7924 -5.7924 -5.7763 -5.7763 -5.7682 -5.7682 -4.3304 -4.3304 -4.0026 -4.0026 0.6243 0.6243 5.4315 5.4315 8.3853 8.3853 8.9111 8.9111 9.7401 9.7401 10.5172 10.5172 10.5582 10.5582 10.6190 10.6190 k = 0.0208 0.0361 0.4363 ( 2836 PWs) bands (ev): -19.5518 -19.5518 -6.3654 -6.3654 -6.3532 -6.3532 -6.3215 -6.3215 -6.2855 -6.2855 -6.2004 -6.2004 -5.9394 -5.9394 -5.8892 -5.8892 -5.8410 -5.8410 -5.7916 -5.7916 -5.7763 -5.7763 -5.7701 -5.7701 -4.3307 -4.3307 -3.9994 -3.9994 0.6196 0.6196 5.4146 5.4146 8.5710 8.5710 8.9689 8.9689 9.6251 9.6251 10.4588 10.4588 10.5062 10.5062 10.6355 10.6355 k = 0.0139 0.0241 0.4363 ( 2832 PWs) bands (ev): -19.5520 -19.5520 -6.3651 -6.3651 -6.3532 -6.3532 -6.3214 -6.3214 -6.2848 -6.2848 -6.2002 -6.2002 -5.9382 -5.9382 -5.8914 -5.8914 -5.8403 -5.8403 -5.7909 -5.7909 -5.7763 -5.7763 -5.7717 -5.7717 -4.3309 -4.3309 -3.9971 -3.9971 0.6162 0.6162 5.4026 5.4026 8.7512 8.7512 9.0158 9.0158 9.4890 9.4890 10.4052 10.4052 10.4542 10.4542 10.6719 10.6719 k = 0.0069 0.0120 0.4363 ( 2844 PWs) bands (ev): -19.5521 -19.5521 -6.3650 -6.3650 -6.3532 -6.3532 -6.3214 -6.3214 -6.2843 -6.2843 -6.2000 -6.2000 -5.9375 -5.9375 -5.8928 -5.8928 -5.8399 -5.8399 -5.7905 -5.7905 -5.7761 -5.7761 -5.7729 -5.7729 -4.3310 -4.3310 -3.9958 -3.9958 0.6142 0.6142 5.3953 5.3953 8.9104 8.9104 9.0582 9.0582 9.3412 9.3412 10.3710 10.3710 10.4245 10.4245 10.6897 10.6897 k = 0.0000 0.0000 0.4363 ( 2852 PWs) bands (ev): -19.5522 -19.5522 -6.3649 -6.3649 -6.3532 -6.3532 -6.3215 -6.3215 -6.2842 -6.2842 -6.2000 -6.2000 -5.9372 -5.9372 -5.8933 -5.8933 -5.8398 -5.8398 -5.7903 -5.7903 -5.7761 -5.7761 -5.7734 -5.7734 -4.3310 -4.3310 -3.9953 -3.9953 0.6135 0.6135 5.3929 5.3929 8.9799 8.9799 9.1122 9.1122 9.2356 9.2356 10.3595 10.3595 10.4148 10.4148 10.6942 10.6942 k = 0.5000 0.2887 0.4363 ( 2884 PWs) bands (ev): -19.5197 -19.5197 -6.4014 -6.4014 -6.3938 -6.3938 -6.3429 -6.3429 -6.3216 -6.3216 -6.2747 -6.2747 -5.9653 -5.9653 -5.8643 -5.8643 -5.8192 -5.8192 -5.7912 -5.7912 -5.7116 -5.7116 -5.6976 -5.6976 -4.3850 -4.3850 -4.1620 -4.1620 1.5385 1.5385 3.5257 3.5257 7.0274 7.0274 7.4891 7.4891 8.2734 8.2734 10.3703 10.3703 12.2368 12.2368 12.9934 12.9934 k = 0.5000 0.2887 0.4222 ( 2880 PWs) bands (ev): -19.5197 -19.5197 -6.4014 -6.4014 -6.3938 -6.3938 -6.3429 -6.3429 -6.3216 -6.3216 -6.2746 -6.2746 -5.9653 -5.9653 -5.8644 -5.8644 -5.8192 -5.8192 -5.7912 -5.7912 -5.7115 -5.7115 -5.6976 -5.6976 -4.3850 -4.3850 -4.1619 -4.1619 1.5396 1.5396 3.5238 3.5238 7.0287 7.0287 7.4930 7.4930 8.2714 8.2714 10.3613 10.3613 12.2477 12.2477 12.9928 12.9928 k = 0.5000 0.2887 0.4081 ( 2878 PWs) bands (ev): -19.5197 -19.5197 -6.4014 -6.4014 -6.3938 -6.3938 -6.3428 -6.3428 -6.3217 -6.3217 -6.2745 -6.2745 -5.9653 -5.9653 -5.8646 -5.8646 -5.8192 -5.8192 -5.7912 -5.7912 -5.7114 -5.7114 -5.6975 -5.6975 -4.3849 -4.3849 -4.1617 -4.1617 1.5426 1.5426 3.5181 3.5181 7.0328 7.0328 7.5046 7.5046 8.2655 8.2655 10.3350 10.3350 12.2796 12.2796 12.9909 12.9909 k = 0.5000 0.2887 0.3940 ( 2882 PWs) bands (ev): -19.5198 -19.5198 -6.4015 -6.4015 -6.3938 -6.3938 -6.3427 -6.3427 -6.3217 -6.3217 -6.2743 -6.2743 -5.9653 -5.9653 -5.8649 -5.8649 -5.8193 -5.8193 -5.7913 -5.7913 -5.7111 -5.7111 -5.6975 -5.6975 -4.3848 -4.3848 -4.1613 -4.1613 1.5477 1.5477 3.5088 3.5088 7.0395 7.0395 7.5239 7.5239 8.2556 8.2556 10.2934 10.2934 12.3300 12.3300 12.9879 12.9879 k = 0.5000 0.2887 0.3800 ( 2882 PWs) bands (ev): -19.5198 -19.5198 -6.4015 -6.4015 -6.3938 -6.3938 -6.3427 -6.3427 -6.3218 -6.3218 -6.2741 -6.2741 -5.9652 -5.9652 -5.8654 -5.8654 -5.8194 -5.8194 -5.7913 -5.7913 -5.7108 -5.7108 -5.6975 -5.6975 -4.3847 -4.3847 -4.1608 -4.1608 1.5548 1.5548 3.4959 3.4959 7.0488 7.0488 7.5505 7.5505 8.2420 8.2420 10.2395 10.2395 12.3957 12.3957 12.9837 12.9837 k = 0.5000 0.2887 0.3659 ( 2880 PWs) bands (ev): -19.5199 -19.5199 -6.4016 -6.4016 -6.3938 -6.3938 -6.3426 -6.3426 -6.3219 -6.3219 -6.2738 -6.2738 -5.9651 -5.9651 -5.8661 -5.8661 -5.8196 -5.8196 -5.7913 -5.7913 -5.7103 -5.7103 -5.6974 -5.6974 -4.3845 -4.3845 -4.1600 -4.1600 1.5637 1.5637 3.4797 3.4797 7.0607 7.0607 7.5842 7.5842 8.2247 8.2247 10.1762 10.1762 12.4729 12.4729 12.9785 12.9785 k = 0.5000 0.2887 0.3518 ( 2876 PWs) bands (ev): -19.5200 -19.5200 -6.4016 -6.4016 -6.3937 -6.3937 -6.3425 -6.3425 -6.3219 -6.3219 -6.2735 -6.2735 -5.9650 -5.9650 -5.8668 -5.8668 -5.8197 -5.8197 -5.7914 -5.7914 -5.7099 -5.7099 -5.6973 -5.6973 -4.3844 -4.3844 -4.1591 -4.1591 1.5745 1.5745 3.4605 3.4605 7.0752 7.0752 7.6247 7.6247 8.2039 8.2039 10.1065 10.1065 12.5574 12.5574 12.9727 12.9727 k = 0.5000 0.2887 0.3378 ( 2880 PWs) bands (ev): -19.5201 -19.5201 -6.4017 -6.4017 -6.3937 -6.3937 -6.3424 -6.3424 -6.3220 -6.3220 -6.2731 -6.2731 -5.9650 -5.9650 -5.8677 -5.8677 -5.8199 -5.8199 -5.7915 -5.7915 -5.7093 -5.7093 -5.6972 -5.6972 -4.3842 -4.3842 -4.1580 -4.1580 1.5871 1.5871 3.4385 3.4385 7.0921 7.0921 7.6715 7.6715 8.1798 8.1798 10.0329 10.0329 12.6450 12.6450 12.9668 12.9668 k = 0.5000 0.2887 0.3237 ( 2880 PWs) bands (ev): -19.5202 -19.5202 -6.4018 -6.4018 -6.3937 -6.3937 -6.3424 -6.3424 -6.3220 -6.3220 -6.2726 -6.2726 -5.9649 -5.9649 -5.8687 -5.8687 -5.8201 -5.8201 -5.7915 -5.7915 -5.7087 -5.7087 -5.6971 -5.6971 -4.3841 -4.3841 -4.1567 -4.1567 1.6013 1.6013 3.4141 3.4141 7.1113 7.1113 7.7239 7.7239 8.1528 8.1528 9.9576 9.9576 12.7301 12.7301 12.9628 12.9628 k = 0.5000 0.2887 0.3096 ( 2880 PWs) bands (ev): -19.5203 -19.5203 -6.4019 -6.4019 -6.3936 -6.3936 -6.3424 -6.3424 -6.3218 -6.3218 -6.2722 -6.2722 -5.9647 -5.9647 -5.8698 -5.8698 -5.8202 -5.8202 -5.7915 -5.7915 -5.7080 -5.7080 -5.6970 -5.6970 -4.3840 -4.3840 -4.1552 -4.1552 1.6171 1.6171 3.3876 3.3876 7.1327 7.1327 7.7815 7.7815 8.1230 8.1230 9.8825 9.8825 12.8040 12.8040 12.9657 12.9657 k = 0.5000 0.2887 0.2955 ( 2880 PWs) bands (ev): -19.5204 -19.5204 -6.4020 -6.4020 -6.3935 -6.3935 -6.3425 -6.3425 -6.3217 -6.3217 -6.2717 -6.2717 -5.9646 -5.9646 -5.8711 -5.8711 -5.8204 -5.8204 -5.7916 -5.7916 -5.7073 -5.7073 -5.6969 -5.6969 -4.3840 -4.3840 -4.1534 -4.1534 1.6343 1.6343 3.3594 3.3594 7.1562 7.1562 7.8433 7.8433 8.0909 8.0909 9.8094 9.8094 12.8508 12.8508 12.9876 12.9876 k = 0.5000 0.2887 0.2815 ( 2876 PWs) bands (ev): -19.5205 -19.5205 -6.4021 -6.4021 -6.3934 -6.3934 -6.3427 -6.3427 -6.3214 -6.3214 -6.2713 -6.2713 -5.9644 -5.9644 -5.8724 -5.8724 -5.8205 -5.8205 -5.7916 -5.7916 -5.7065 -5.7065 -5.6967 -5.6967 -4.3841 -4.3841 -4.1514 -4.1514 1.6527 1.6527 3.3298 3.3298 7.1817 7.1817 7.9081 7.9081 8.0572 8.0572 9.7397 9.7397 12.8636 12.8636 13.0292 13.0292 k = 0.5000 0.2887 0.2674 ( 2876 PWs) bands (ev): -19.5207 -19.5207 -6.4023 -6.4023 -6.3933 -6.3933 -6.3429 -6.3429 -6.3210 -6.3210 -6.2708 -6.2708 -5.9642 -5.9642 -5.8739 -5.8739 -5.8206 -5.8206 -5.7917 -5.7917 -5.7058 -5.7058 -5.6966 -5.6966 -4.3842 -4.3842 -4.1493 -4.1493 1.6722 1.6722 3.2992 3.2992 7.2089 7.2089 7.9714 7.9714 8.0256 8.0256 9.6750 9.6750 12.8571 12.8571 12.9742 12.9742 k = 0.5000 0.2887 0.2533 ( 2872 PWs) bands (ev): -19.5208 -19.5208 -6.4024 -6.4024 -6.3932 -6.3932 -6.3433 -6.3433 -6.3205 -6.3205 -6.2703 -6.2703 -5.9640 -5.9640 -5.8754 -5.8754 -5.8208 -5.8208 -5.7917 -5.7917 -5.7050 -5.7050 -5.6964 -5.6964 -4.3844 -4.3844 -4.1469 -4.1469 1.6926 1.6926 3.2679 3.2679 7.2377 7.2377 7.9758 7.9758 8.0528 8.0528 9.6170 9.6170 12.8305 12.8305 12.8729 12.8729 k = 0.5000 0.2887 0.2392 ( 2872 PWs) bands (ev): -19.5210 -19.5210 -6.4026 -6.4026 -6.3930 -6.3930 -6.3437 -6.3437 -6.3199 -6.3199 -6.2698 -6.2698 -5.9637 -5.9637 -5.8770 -5.8770 -5.8209 -5.8209 -5.7918 -5.7918 -5.7043 -5.7043 -5.6963 -5.6963 -4.3848 -4.3848 -4.1443 -4.1443 1.7138 1.7138 3.2364 3.2364 7.2678 7.2678 7.9396 7.9396 8.1192 8.1192 9.5673 9.5673 12.7353 12.7353 12.8383 12.8383 k = 0.5000 0.2887 0.2252 ( 2872 PWs) bands (ev): -19.5211 -19.5211 -6.4028 -6.4028 -6.3929 -6.3929 -6.3442 -6.3442 -6.3192 -6.3192 -6.2694 -6.2694 -5.9634 -5.9634 -5.8786 -5.8786 -5.8209 -5.8209 -5.7919 -5.7919 -5.7035 -5.7035 -5.6961 -5.6961 -4.3852 -4.3852 -4.1415 -4.1415 1.7354 1.7354 3.2048 3.2048 7.2991 7.2991 7.9006 7.9006 8.1855 8.1855 9.5280 9.5280 12.6260 12.6260 12.8184 12.8184 k = 0.5000 0.2887 0.2111 ( 2872 PWs) bands (ev): -19.5213 -19.5213 -6.4029 -6.4029 -6.3927 -6.3927 -6.3447 -6.3447 -6.3184 -6.3184 -6.2690 -6.2690 -5.9631 -5.9631 -5.8803 -5.8803 -5.8211 -5.8211 -5.7920 -5.7920 -5.7028 -5.7028 -5.6960 -5.6960 -4.3857 -4.3857 -4.1386 -4.1386 1.7574 1.7574 3.1735 3.1735 7.3312 7.3312 7.8608 7.8608 8.2479 8.2479 9.5013 9.5013 12.5187 12.5187 12.7979 12.7979 k = 0.5000 0.2887 0.1970 ( 2872 PWs) bands (ev): -19.5214 -19.5214 -6.4031 -6.4031 -6.3925 -6.3925 -6.3453 -6.3453 -6.3177 -6.3177 -6.2686 -6.2686 -5.9628 -5.9628 -5.8821 -5.8821 -5.8211 -5.8211 -5.7920 -5.7920 -5.7020 -5.7020 -5.6958 -5.6958 -4.3863 -4.3863 -4.1356 -4.1356 1.7795 1.7795 3.1428 3.1428 7.3638 7.3638 7.8211 7.8211 8.3037 8.3037 9.4896 9.4896 12.4149 12.4149 12.7751 12.7751 k = 0.5000 0.2887 0.1830 ( 2872 PWs) bands (ev): -19.5216 -19.5216 -6.4033 -6.4033 -6.3922 -6.3922 -6.3459 -6.3459 -6.3168 -6.3168 -6.2682 -6.2682 -5.9624 -5.9624 -5.8838 -5.8838 -5.8211 -5.8211 -5.7921 -5.7921 -5.7014 -5.7014 -5.6957 -5.6957 -4.3870 -4.3870 -4.1325 -4.1325 1.8015 1.8015 3.1130 3.1130 7.3966 7.3966 7.7818 7.7818 8.3506 8.3506 9.4951 9.4951 12.3153 12.3153 12.7463 12.7463 k = 0.5000 0.2887 0.1689 ( 2872 PWs) bands (ev): -19.5217 -19.5217 -6.4035 -6.4035 -6.3920 -6.3920 -6.3465 -6.3465 -6.3160 -6.3160 -6.2678 -6.2678 -5.9620 -5.9620 -5.8855 -5.8855 -5.8212 -5.8212 -5.7921 -5.7921 -5.7007 -5.7007 -5.6956 -5.6956 -4.3877 -4.3877 -4.1294 -4.1294 1.8231 1.8231 3.0844 3.0844 7.4294 7.4294 7.7435 7.7435 8.3869 8.3869 9.5193 9.5193 12.2203 12.2203 12.6983 12.6983 k = 0.5000 0.2887 0.1548 ( 2872 PWs) bands (ev): -19.5219 -19.5219 -6.4037 -6.4037 -6.3918 -6.3918 -6.3471 -6.3471 -6.3151 -6.3151 -6.2675 -6.2675 -5.9616 -5.9616 -5.8872 -5.8872 -5.8212 -5.8212 -5.7922 -5.7922 -5.7001 -5.7001 -5.6955 -5.6955 -4.3885 -4.3885 -4.1263 -4.1263 1.8441 1.8441 3.0571 3.0571 7.4616 7.4616 7.7065 7.7065 8.4121 8.4121 9.5627 9.5627 12.1305 12.1305 12.6070 12.6070 k = 0.5000 0.2887 0.1407 ( 2872 PWs) bands (ev): -19.5220 -19.5220 -6.4038 -6.4038 -6.3916 -6.3916 -6.3477 -6.3477 -6.3143 -6.3143 -6.2672 -6.2672 -5.9612 -5.9612 -5.8888 -5.8888 -5.8212 -5.8212 -5.7922 -5.7922 -5.6995 -5.6995 -5.6954 -5.6954 -4.3893 -4.3893 -4.1233 -4.1233 1.8643 1.8643 3.0315 3.0315 7.4928 7.4928 7.6713 7.6713 8.4270 8.4270 9.6244 9.6244 12.0461 12.0461 12.4800 12.4800 k = 0.5000 0.2887 0.1267 ( 2868 PWs) bands (ev): -19.5221 -19.5221 -6.4040 -6.4040 -6.3914 -6.3914 -6.3483 -6.3483 -6.3135 -6.3135 -6.2670 -6.2670 -5.9608 -5.9608 -5.8904 -5.8904 -5.8212 -5.8212 -5.7923 -5.7923 -5.6989 -5.6989 -5.6953 -5.6953 -4.3901 -4.3901 -4.1203 -4.1203 1.8834 1.8834 3.0076 3.0076 7.5223 7.5223 7.6386 7.6386 8.4331 8.4331 9.7024 9.7024 11.9679 11.9679 12.3368 12.3368 k = 0.5000 0.2887 0.1126 ( 2864 PWs) bands (ev): -19.5222 -19.5222 -6.4041 -6.4041 -6.3912 -6.3912 -6.3488 -6.3488 -6.3128 -6.3128 -6.2667 -6.2667 -5.9603 -5.9603 -5.8918 -5.8918 -5.8212 -5.8212 -5.7923 -5.7923 -5.6984 -5.6984 -5.6952 -5.6952 -4.3909 -4.3909 -4.1175 -4.1175 1.9012 1.9012 2.9858 2.9858 7.5488 7.5488 7.6098 7.6098 8.4328 8.4328 9.7944 9.7944 11.8963 11.8963 12.1859 12.1859 k = 0.5000 0.2887 0.0985 ( 2864 PWs) bands (ev): -19.5223 -19.5223 -6.4043 -6.4043 -6.3910 -6.3910 -6.3493 -6.3493 -6.3121 -6.3121 -6.2666 -6.2666 -5.9599 -5.9599 -5.8932 -5.8932 -5.8211 -5.8211 -5.7924 -5.7924 -5.6980 -5.6980 -5.6951 -5.6951 -4.3916 -4.3916 -4.1150 -4.1150 1.9175 1.9175 2.9661 2.9661 7.5625 7.5625 7.5945 7.5945 8.4281 8.4281 9.8979 9.8979 11.8316 11.8316 12.0311 12.0311 k = 0.5000 0.2887 0.0844 ( 2866 PWs) bands (ev): -19.5224 -19.5224 -6.4044 -6.4044 -6.3908 -6.3908 -6.3498 -6.3498 -6.3115 -6.3115 -6.2664 -6.2664 -5.9596 -5.9596 -5.8944 -5.8944 -5.8211 -5.8211 -5.7924 -5.7924 -5.6976 -5.6976 -5.6951 -5.6951 -4.3923 -4.3923 -4.1126 -4.1126 1.9321 1.9321 2.9488 2.9488 7.5474 7.5474 7.6085 7.6085 8.4210 8.4210 10.0103 10.0103 11.7744 11.7744 11.8750 11.8750 k = 0.5000 0.2887 0.0704 ( 2862 PWs) bands (ev): -19.5225 -19.5225 -6.4045 -6.4045 -6.3906 -6.3906 -6.3502 -6.3502 -6.3109 -6.3109 -6.2663 -6.2663 -5.9592 -5.9592 -5.8955 -5.8955 -5.8211 -5.8211 -5.7924 -5.7924 -5.6972 -5.6972 -5.6951 -5.6951 -4.3929 -4.3929 -4.1106 -4.1106 1.9448 1.9448 2.9338 2.9338 7.5275 7.5275 7.6278 7.6278 8.4128 8.4128 10.1296 10.1296 11.7163 11.7163 11.7282 11.7282 k = 0.5000 0.2887 0.0563 ( 2856 PWs) bands (ev): -19.5226 -19.5226 -6.4046 -6.4046 -6.3905 -6.3905 -6.3505 -6.3505 -6.3104 -6.3104 -6.2661 -6.2661 -5.9589 -5.9589 -5.8964 -5.8964 -5.8211 -5.8211 -5.7924 -5.7924 -5.6969 -5.6969 -5.6951 -5.6951 -4.3934 -4.3934 -4.1088 -4.1088 1.9555 1.9555 2.9215 2.9215 7.5099 7.5099 7.6451 7.6451 8.4048 8.4048 10.2530 10.2530 11.5662 11.5662 11.6847 11.6847 k = 0.5000 0.2887 0.0422 ( 2858 PWs) bands (ev): -19.5226 -19.5226 -6.4046 -6.4046 -6.3904 -6.3904 -6.3508 -6.3508 -6.3101 -6.3101 -6.2661 -6.2661 -5.9586 -5.9586 -5.8971 -5.8971 -5.8211 -5.8211 -5.7925 -5.7925 -5.6966 -5.6966 -5.6951 -5.6951 -4.3938 -4.3938 -4.1075 -4.1075 1.9639 1.9639 2.9118 2.9118 7.4959 7.4959 7.6591 7.6591 8.3978 8.3978 10.3772 10.3772 11.4195 11.4195 11.6524 11.6524 k = 0.5000 0.2887 0.0281 ( 2864 PWs) bands (ev): -19.5227 -19.5227 -6.4047 -6.4047 -6.3903 -6.3903 -6.3510 -6.3510 -6.3098 -6.3098 -6.2660 -6.2660 -5.9585 -5.9585 -5.8977 -5.8977 -5.8211 -5.8211 -5.7925 -5.7925 -5.6964 -5.6964 -5.6952 -5.6952 -4.3942 -4.3942 -4.1065 -4.1065 1.9700 1.9700 2.9048 2.9048 7.4857 7.4857 7.6694 7.6694 8.3924 8.3924 10.4957 10.4957 11.2851 11.2851 11.6292 11.6292 k = 0.5000 0.2887 0.0141 ( 2860 PWs) bands (ev): -19.5227 -19.5227 -6.4047 -6.4047 -6.3903 -6.3903 -6.3511 -6.3511 -6.3097 -6.3097 -6.2660 -6.2660 -5.9584 -5.9584 -5.8980 -5.8980 -5.8210 -5.8210 -5.7925 -5.7925 -5.6962 -5.6962 -5.6952 -5.6952 -4.3943 -4.3943 -4.1059 -4.1059 1.9737 1.9737 2.9006 2.9006 7.4795 7.4795 7.6757 7.6757 8.3890 8.3890 10.5930 10.5930 11.1782 11.1782 11.6151 11.6151 k = 0.5000 0.2887-0.0000 ( 2868 PWs) bands (ev): -19.5227 -19.5227 -6.4047 -6.4047 -6.3903 -6.3903 -6.3511 -6.3511 -6.3096 -6.3096 -6.2660 -6.2660 -5.9583 -5.9583 -5.8981 -5.8981 -5.8211 -5.8211 -5.7926 -5.7926 -5.6962 -5.6962 -5.6952 -5.6952 -4.3944 -4.3944 -4.1056 -4.1056 1.9749 1.9749 2.8992 2.8992 7.4774 7.4774 7.6778 7.6778 8.3879 8.3879 10.6349 10.6349 11.1332 11.1332 11.6104 11.6104 k = 0.3333 0.5774-0.0000 ( 2859 PWs) bands (ev): -19.5185 -19.5185 -6.4247 -6.4247 -6.3817 -6.3817 -6.3707 -6.3707 -6.3201 -6.3201 -6.2411 -6.2411 -5.9509 -5.9509 -5.9116 -5.9116 -5.8103 -5.8103 -5.7818 -5.7818 -5.7437 -5.7437 -5.6506 -5.6506 -4.3926 -4.3926 -4.1682 -4.1682 2.6560 2.6560 2.7187 2.7187 5.5368 5.5368 8.3311 8.3311 8.3444 8.3444 10.8318 10.8318 10.8591 10.8591 12.2005 12.2005 k = 0.3333 0.5774 0.0141 ( 2874 PWs) bands (ev): -19.5185 -19.5185 -6.4247 -6.4247 -6.3816 -6.3816 -6.3706 -6.3706 -6.3202 -6.3202 -6.2412 -6.2412 -5.9509 -5.9509 -5.9115 -5.9115 -5.8104 -5.8104 -5.7819 -5.7819 -5.7437 -5.7437 -5.6506 -5.6506 -4.3924 -4.3924 -4.1685 -4.1685 2.6553 2.6553 2.7178 2.7178 5.5389 5.5389 8.3300 8.3300 8.3438 8.3438 10.8367 10.8367 10.8642 10.8642 12.2020 12.2020 k = 0.3333 0.5774 0.0281 ( 2865 PWs) bands (ev): -19.5185 -19.5185 -6.4249 -6.4249 -6.3815 -6.3815 -6.3704 -6.3704 -6.3202 -6.3202 -6.2415 -6.2415 -5.9509 -5.9509 -5.9112 -5.9112 -5.8104 -5.8104 -5.7819 -5.7819 -5.7437 -5.7437 -5.6506 -5.6506 -4.3919 -4.3919 -4.1692 -4.1692 2.6532 2.6532 2.7151 2.7151 5.5454 5.5454 8.3267 8.3267 8.3419 8.3419 10.8513 10.8513 10.8793 10.8793 12.2064 12.2064 k = 0.3333 0.5774 0.0422 ( 2871 PWs) bands (ev): -19.5184 -19.5184 -6.4252 -6.4252 -6.3812 -6.3812 -6.3702 -6.3702 -6.3203 -6.3203 -6.2421 -6.2421 -5.9510 -5.9510 -5.9107 -5.9107 -5.8105 -5.8105 -5.7819 -5.7819 -5.7437 -5.7437 -5.6506 -5.6506 -4.3911 -4.3911 -4.1704 -4.1704 2.6498 2.6498 2.7107 2.7107 5.5561 5.5561 8.3214 8.3214 8.3388 8.3388 10.8756 10.8756 10.9043 10.9043 12.2139 12.2139 k = 0.3333 0.5774 0.0563 ( 2871 PWs) bands (ev): -19.5184 -19.5184 -6.4255 -6.4255 -6.3809 -6.3809 -6.3697 -6.3697 -6.3203 -6.3203 -6.2429 -6.2429 -5.9511 -5.9511 -5.9100 -5.9100 -5.8107 -5.8107 -5.7819 -5.7819 -5.7437 -5.7437 -5.6505 -5.6505 -4.3900 -4.3900 -4.1721 -4.1721 2.6451 2.6451 2.7045 2.7045 5.5709 5.5709 8.3142 8.3142 8.3347 8.3347 10.9092 10.9092 10.9390 10.9390 12.2243 12.2243 k = 0.3333 0.5774 0.0704 ( 2874 PWs) bands (ev): -19.5183 -19.5183 -6.4259 -6.4259 -6.3805 -6.3805 -6.3692 -6.3692 -6.3204 -6.3204 -6.2438 -6.2438 -5.9512 -5.9512 -5.9092 -5.9092 -5.8109 -5.8109 -5.7819 -5.7819 -5.7436 -5.7436 -5.6505 -5.6505 -4.3886 -4.3886 -4.1741 -4.1741 2.6390 2.6390 2.6966 2.6966 5.5899 5.5899 8.3054 8.3054 8.3297 8.3297 10.9519 10.9519 10.9829 10.9829 12.2376 12.2376 k = 0.3333 0.5774 0.0844 ( 2868 PWs) bands (ev): -19.5182 -19.5182 -6.4264 -6.4264 -6.3801 -6.3801 -6.3684 -6.3684 -6.3205 -6.3205 -6.2450 -6.2450 -5.9513 -5.9513 -5.9082 -5.9082 -5.8111 -5.8111 -5.7819 -5.7819 -5.7436 -5.7436 -5.6505 -5.6505 -4.3869 -4.3869 -4.1766 -4.1766 2.6318 2.6318 2.6873 2.6873 5.6128 5.6128 8.2952 8.2952 8.3240 8.3240 11.0034 11.0034 11.0357 11.0357 12.2538 12.2538 k = 0.3333 0.5774 0.0985 ( 2865 PWs) bands (ev): -19.5182 -19.5182 -6.4269 -6.4269 -6.3797 -6.3797 -6.3676 -6.3676 -6.3206 -6.3206 -6.2463 -6.2463 -5.9514 -5.9514 -5.9070 -5.9070 -5.8114 -5.8114 -5.7819 -5.7819 -5.7435 -5.7435 -5.6505 -5.6505 -4.3850 -4.3850 -4.1795 -4.1795 2.6235 2.6235 2.6764 2.6764 5.6395 5.6395 8.2839 8.2839 8.3178 8.3178 11.0633 11.0633 11.0969 11.0969 12.2728 12.2728 k = 0.3333 0.5774 0.1126 ( 2865 PWs) bands (ev): -19.5181 -19.5181 -6.4275 -6.4275 -6.3793 -6.3793 -6.3665 -6.3665 -6.3208 -6.3208 -6.2478 -6.2478 -5.9516 -5.9516 -5.9056 -5.9056 -5.8117 -5.8117 -5.7820 -5.7820 -5.7434 -5.7434 -5.6505 -5.6505 -4.3828 -4.3828 -4.1828 -4.1828 2.6142 2.6142 2.6643 2.6643 5.6699 5.6699 8.2719 8.2719 8.3112 8.3112 11.1309 11.1309 11.1659 11.1659 12.2946 12.2946 k = 0.3333 0.5774 0.1267 ( 2865 PWs) bands (ev): -19.5179 -19.5179 -6.4281 -6.4281 -6.3789 -6.3789 -6.3653 -6.3653 -6.3209 -6.3209 -6.2496 -6.2496 -5.9518 -5.9518 -5.9041 -5.9041 -5.8121 -5.8121 -5.7820 -5.7820 -5.7433 -5.7433 -5.6505 -5.6505 -4.3804 -4.3804 -4.1863 -4.1863 2.6039 2.6039 2.6510 2.6510 5.7037 5.7037 8.2593 8.2593 8.3045 8.3045 11.2060 11.2060 11.2421 11.2421 12.3190 12.3190 k = 0.3333 0.5774 0.1407 ( 2865 PWs) bands (ev): -19.5178 -19.5178 -6.4288 -6.4288 -6.3785 -6.3785 -6.3639 -6.3639 -6.3211 -6.3211 -6.2514 -6.2514 -5.9520 -5.9520 -5.9025 -5.9025 -5.8126 -5.8126 -5.7820 -5.7820 -5.7433 -5.7433 -5.6505 -5.6505 -4.3778 -4.3778 -4.1901 -4.1901 2.5929 2.5929 2.6367 2.6367 5.7406 5.7406 8.2465 8.2465 8.2978 8.2978 11.2879 11.2879 11.3249 11.3249 12.3460 12.3460 k = 0.3333 0.5774 0.1548 ( 2865 PWs) bands (ev): -19.5177 -19.5177 -6.4294 -6.4294 -6.3782 -6.3782 -6.3624 -6.3624 -6.3212 -6.3212 -6.2534 -6.2534 -5.9522 -5.9522 -5.9008 -5.9008 -5.8131 -5.8131 -5.7820 -5.7820 -5.7432 -5.7432 -5.6505 -5.6505 -4.3750 -4.3750 -4.1942 -4.1942 2.5812 2.5812 2.6215 2.6215 5.7805 5.7805 8.2337 8.2337 8.2914 8.2914 11.3761 11.3761 11.4137 11.4137 12.3755 12.3755 k = 0.3333 0.5774 0.1689 ( 2853 PWs) bands (ev): -19.5176 -19.5176 -6.4301 -6.4301 -6.3778 -6.3778 -6.3607 -6.3607 -6.3214 -6.3214 -6.2556 -6.2556 -5.9523 -5.9523 -5.8989 -5.8989 -5.8137 -5.8137 -5.7820 -5.7820 -5.7431 -5.7431 -5.6505 -5.6505 -4.3720 -4.3720 -4.1984 -4.1984 2.5689 2.5689 2.6055 2.6055 5.8230 5.8230 8.2211 8.2211 8.2852 8.2852 11.4700 11.4700 11.5077 11.5077 12.4072 12.4072 k = 0.3333 0.5774 0.1830 ( 2865 PWs) bands (ev): -19.5174 -19.5174 -6.4308 -6.4308 -6.3776 -6.3776 -6.3589 -6.3589 -6.3216 -6.3216 -6.2579 -6.2579 -5.9526 -5.9526 -5.8969 -5.8969 -5.8144 -5.8144 -5.7820 -5.7820 -5.7430 -5.7430 -5.6505 -5.6505 -4.3690 -4.3690 -4.2028 -4.2028 2.5562 2.5562 2.5891 2.5891 5.8678 5.8678 8.2089 8.2089 8.2795 8.2795 11.5689 11.5689 11.6062 11.6062 12.4410 12.4410 k = 0.3333 0.5774 0.1970 ( 2871 PWs) bands (ev): -19.5173 -19.5173 -6.4314 -6.4314 -6.3773 -6.3773 -6.3570 -6.3570 -6.3218 -6.3218 -6.2603 -6.2603 -5.9528 -5.9528 -5.8949 -5.8949 -5.8151 -5.8151 -5.7820 -5.7820 -5.7429 -5.7429 -5.6505 -5.6505 -4.3658 -4.3658 -4.2072 -4.2072 2.5432 2.5432 2.5723 2.5723 5.9146 5.9146 8.1972 8.1972 8.2742 8.2742 11.6720 11.6720 11.7082 11.7082 12.4765 12.4765 k = 0.3333 0.5774 0.2111 ( 2865 PWs) bands (ev): -19.5171 -19.5171 -6.4320 -6.4320 -6.3771 -6.3771 -6.3549 -6.3549 -6.3220 -6.3220 -6.2628 -6.2628 -5.9530 -5.9530 -5.8927 -5.8927 -5.8159 -5.8159 -5.7820 -5.7820 -5.7428 -5.7428 -5.6505 -5.6505 -4.3626 -4.3626 -4.2117 -4.2117 2.5301 2.5301 2.5553 2.5553 5.9629 5.9629 8.1862 8.1862 8.2695 8.2695 11.7785 11.7785 11.8127 11.8127 12.5134 12.5134 k = 0.3333 0.5774 0.2252 ( 2871 PWs) bands (ev): -19.5170 -19.5170 -6.4327 -6.4327 -6.3769 -6.3769 -6.3528 -6.3528 -6.3222 -6.3222 -6.2655 -6.2655 -5.9533 -5.9533 -5.8905 -5.8905 -5.8169 -5.8169 -5.7820 -5.7820 -5.7427 -5.7427 -5.6506 -5.6506 -4.3594 -4.3594 -4.2162 -4.2162 2.5169 2.5169 2.5384 2.5384 6.0123 6.0123 8.1759 8.1759 8.2654 8.2654 11.8873 11.8873 11.9184 11.9184 12.5510 12.5510 k = 0.3333 0.5774 0.2392 ( 2877 PWs) bands (ev): -19.5169 -19.5169 -6.4333 -6.4333 -6.3767 -6.3767 -6.3505 -6.3505 -6.3224 -6.3224 -6.2682 -6.2682 -5.9535 -5.9535 -5.8883 -5.8883 -5.8179 -5.8179 -5.7821 -5.7821 -5.7426 -5.7426 -5.6506 -5.6506 -4.3562 -4.3562 -4.2206 -4.2206 2.5039 2.5039 2.5216 2.5216 6.0624 6.0624 8.1663 8.1663 8.2618 8.2618 11.9970 11.9970 12.0234 12.0234 12.5883 12.5883 k = 0.3333 0.5774 0.2533 ( 2877 PWs) bands (ev): -19.5167 -19.5167 -6.4339 -6.4339 -6.3765 -6.3765 -6.3482 -6.3482 -6.3226 -6.3226 -6.2709 -6.2709 -5.9537 -5.9537 -5.8860 -5.8860 -5.8189 -5.8189 -5.7820 -5.7820 -5.7425 -5.7425 -5.6506 -5.6506 -4.3530 -4.3530 -4.2250 -4.2250 2.4911 2.4911 2.5051 2.5051 6.1127 6.1127 8.1576 8.1576 8.2589 8.2589 12.1058 12.1058 12.1256 12.1256 12.6232 12.6232 k = 0.3333 0.5774 0.2674 ( 2871 PWs) bands (ev): -19.5166 -19.5166 -6.4344 -6.4344 -6.3763 -6.3763 -6.3458 -6.3458 -6.3228 -6.3228 -6.2738 -6.2738 -5.9539 -5.9539 -5.8837 -5.8837 -5.8201 -5.8201 -5.7820 -5.7820 -5.7424 -5.7424 -5.6506 -5.6506 -4.3499 -4.3499 -4.2292 -4.2292 2.4787 2.4787 2.4891 2.4891 6.1626 6.1626 8.1497 8.1497 8.2564 8.2564 12.2112 12.2112 12.2219 12.2219 12.6509 12.6509 k = 0.3333 0.5774 0.2815 ( 2871 PWs) bands (ev): -19.5164 -19.5164 -6.4350 -6.4350 -6.3761 -6.3761 -6.3433 -6.3433 -6.3230 -6.3230 -6.2767 -6.2767 -5.9541 -5.9541 -5.8814 -5.8814 -5.8213 -5.8213 -5.7820 -5.7820 -5.7423 -5.7423 -5.6507 -5.6507 -4.3469 -4.3469 -4.2332 -4.2332 2.4669 2.4669 2.4738 2.4738 6.2116 6.2116 8.1427 8.1427 8.2545 8.2545 12.3085 12.3085 12.3099 12.3099 12.6598 12.6598 k = 0.3333 0.5774 0.2955 ( 2865 PWs) bands (ev): -19.5163 -19.5163 -6.4354 -6.4354 -6.3760 -6.3760 -6.3407 -6.3407 -6.3231 -6.3231 -6.2796 -6.2796 -5.9543 -5.9543 -5.8791 -5.8791 -5.8225 -5.8225 -5.7820 -5.7820 -5.7422 -5.7422 -5.6507 -5.6507 -4.3441 -4.3441 -4.2370 -4.2370 2.4556 2.4556 2.4593 2.4593 6.2591 6.2591 8.1365 8.1365 8.2530 8.2530 12.3806 12.3806 12.3978 12.3978 12.6339 12.6339 k = 0.3333 0.5774 0.3096 ( 2874 PWs) bands (ev): -19.5162 -19.5162 -6.4359 -6.4359 -6.3759 -6.3759 -6.3381 -6.3381 -6.3233 -6.3233 -6.2826 -6.2826 -5.9545 -5.9545 -5.8768 -5.8768 -5.8239 -5.8239 -5.7820 -5.7820 -5.7422 -5.7422 -5.6507 -5.6507 -4.3414 -4.3414 -4.2405 -4.2405 2.4450 2.4450 2.4457 2.4457 6.3046 6.3046 8.1311 8.1311 8.2519 8.2519 12.4318 12.4318 12.4702 12.4702 12.5809 12.5809 k = 0.3333 0.5774 0.3237 ( 2874 PWs) bands (ev): -19.5161 -19.5161 -6.4363 -6.4363 -6.3758 -6.3758 -6.3354 -6.3354 -6.3235 -6.3235 -6.2855 -6.2855 -5.9547 -5.9547 -5.8746 -5.8746 -5.8252 -5.8252 -5.7820 -5.7820 -5.7421 -5.7421 -5.6507 -5.6507 -4.3390 -4.3390 -4.2438 -4.2438 2.4332 2.4332 2.4353 2.4353 6.3474 6.3474 8.1264 8.1264 8.2512 8.2512 12.4441 12.4441 12.5240 12.5240 12.5385 12.5385 k = 0.3333 0.5774 0.3378 ( 2889 PWs) bands (ev): -19.5160 -19.5160 -6.4367 -6.4367 -6.3757 -6.3757 -6.3328 -6.3328 -6.3236 -6.3236 -6.2885 -6.2885 -5.9549 -5.9549 -5.8725 -5.8725 -5.8266 -5.8266 -5.7820 -5.7820 -5.7421 -5.7421 -5.6508 -5.6508 -4.3367 -4.3367 -4.2467 -4.2467 2.4219 2.4219 2.4265 2.4265 6.3870 6.3870 8.1224 8.1224 8.2507 8.2507 12.4009 12.4009 12.5366 12.5366 12.5591 12.5591 k = 0.3333 0.5774 0.3518 ( 2898 PWs) bands (ev): -19.5159 -19.5159 -6.4370 -6.4370 -6.3757 -6.3757 -6.3301 -6.3301 -6.3238 -6.3238 -6.2915 -6.2915 -5.9550 -5.9550 -5.8706 -5.8706 -5.8279 -5.8279 -5.7820 -5.7820 -5.7420 -5.7420 -5.6508 -5.6508 -4.3347 -4.3347 -4.2493 -4.2493 2.4119 2.4119 2.4187 2.4187 6.4227 6.4227 8.1191 8.1191 8.2504 8.2504 12.3422 12.3422 12.5439 12.5439 12.5786 12.5786 k = 0.3333 0.5774 0.3659 ( 2898 PWs) bands (ev): -19.5158 -19.5158 -6.4373 -6.4373 -6.3756 -6.3756 -6.3274 -6.3274 -6.3239 -6.3239 -6.2944 -6.2944 -5.9551 -5.9551 -5.8687 -5.8687 -5.8292 -5.8292 -5.7820 -5.7820 -5.7420 -5.7420 -5.6509 -5.6509 -4.3330 -4.3330 -4.2516 -4.2516 2.4033 2.4033 2.4120 2.4120 6.4541 6.4541 8.1164 8.1164 8.2503 8.2503 12.2868 12.2868 12.5475 12.5475 12.5873 12.5873 k = 0.3333 0.5774 0.3800 ( 2898 PWs) bands (ev): -19.5158 -19.5158 -6.4375 -6.4375 -6.3755 -6.3755 -6.3247 -6.3247 -6.3240 -6.3240 -6.2973 -6.2973 -5.9552 -5.9552 -5.8671 -5.8671 -5.8304 -5.8304 -5.7819 -5.7819 -5.7419 -5.7419 -5.6509 -5.6509 -4.3315 -4.3315 -4.2534 -4.2534 2.3961 2.3961 2.4064 2.4064 6.4805 6.4805 8.1143 8.1143 8.2503 8.2503 12.2393 12.2393 12.5475 12.5475 12.5894 12.5894 k = 0.3333 0.5774 0.3940 ( 2904 PWs) bands (ev): -19.5157 -19.5157 -6.4377 -6.4377 -6.3755 -6.3755 -6.3241 -6.3241 -6.3222 -6.3222 -6.3000 -6.3000 -5.9553 -5.9553 -5.8657 -5.8657 -5.8314 -5.8314 -5.7819 -5.7819 -5.7419 -5.7419 -5.6509 -5.6509 -4.3304 -4.3304 -4.2549 -4.2549 2.3905 2.3905 2.4020 2.4020 6.5015 6.5015 8.1127 8.1127 8.2504 8.2504 12.2012 12.2012 12.5457 12.5457 12.5883 12.5883 k = 0.3333 0.5774 0.4081 ( 2898 PWs) bands (ev): -19.5157 -19.5157 -6.4378 -6.4378 -6.3754 -6.3754 -6.3241 -6.3241 -6.3198 -6.3198 -6.3024 -6.3024 -5.9554 -5.9554 -5.8646 -5.8646 -5.8321 -5.8321 -5.7819 -5.7819 -5.7419 -5.7419 -5.6509 -5.6509 -4.3296 -4.3296 -4.2560 -4.2560 2.3864 2.3864 2.3988 2.3988 6.5169 6.5169 8.1116 8.1116 8.2504 8.2504 12.1735 12.1735 12.5435 12.5435 12.5861 12.5861 k = 0.3333 0.5774 0.4222 ( 2898 PWs) bands (ev): -19.5156 -19.5156 -6.4379 -6.4379 -6.3754 -6.3754 -6.3241 -6.3241 -6.3180 -6.3180 -6.3043 -6.3043 -5.9554 -5.9554 -5.8640 -5.8640 -5.8326 -5.8326 -5.7819 -5.7819 -5.7418 -5.7418 -5.6509 -5.6509 -4.3291 -4.3291 -4.2566 -4.2566 2.3840 2.3840 2.3969 2.3969 6.5262 6.5262 8.1109 8.1109 8.2505 8.2505 12.1567 12.1567 12.5418 12.5418 12.5844 12.5844 k = 0.3333 0.5774 0.4363 ( 2898 PWs) bands (ev): -19.5156 -19.5156 -6.4379 -6.4379 -6.3754 -6.3754 -6.3241 -6.3241 -6.3173 -6.3173 -6.3051 -6.3051 -5.9554 -5.9554 -5.8638 -5.8638 -5.8328 -5.8328 -5.7819 -5.7819 -5.7418 -5.7418 -5.6509 -5.6509 -4.3289 -4.3289 -4.2568 -4.2568 2.3831 2.3831 2.3962 2.3962 6.5293 6.5293 8.1107 8.1107 8.2505 8.2505 12.1510 12.1510 12.5411 12.5411 12.5837 12.5837 Writing output data file BaGa2.save init_run : 0.22s CPU 0.36s WALL ( 1 calls) electrons : 87.93s CPU 89.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 87.93s CPU 89.54s 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 : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 328 calls) cegterg : 79.98s CPU 81.17s WALL ( 340 calls) Called by sum_band: Called by *egterg: h_psi : 44.50s CPU 45.44s WALL ( 6418 calls) s_psi : 2.47s CPU 2.55s WALL ( 6418 calls) g_psi : 0.09s CPU 0.11s WALL ( 5750 calls) cdiaghg : 31.02s CPU 31.43s WALL ( 6078 calls) cegterg:over : 2.98s CPU 2.88s WALL ( 5750 calls) cegterg:upda : 1.94s CPU 2.02s WALL ( 5750 calls) cegterg:last : 1.38s CPU 1.33s WALL ( 996 calls) cdiaghg:chol : 1.61s CPU 1.66s WALL ( 6078 calls) cdiaghg:inve : 1.02s CPU 0.96s WALL ( 6078 calls) cdiaghg:para : 1.84s CPU 1.79s WALL ( 12156 calls) Called by h_psi: h_psi:vloc : 39.21s CPU 40.06s WALL ( 6418 calls) h_psi:vnl : 5.20s CPU 5.27s WALL ( 6418 calls) add_vuspsi : 2.74s CPU 2.87s WALL ( 6418 calls) General routines calbec : 2.44s CPU 2.39s WALL ( 6418 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 36.81s CPU 37.67s WALL ( 556956 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.13s WALL ( 656 calls) Parallel routines fft_scatter : 13.91s CPU 14.42s WALL ( 556979 calls) PWSCF : 1m39.82s CPU 1m50.16s WALL This run was terminated on: 13:53:30 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=