Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:39:58 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: ./CaHg2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 67 29 8 1983 575 94 Max 68 30 9 1986 594 97 Sum 2431 1069 313 71413 21125 3435 bravais-lattice index = 14 lattice parameter (alat) = 9.2351 a.u. unit-cell volume = 498.7063 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.235091 celldm(2)= 1.000000 celldm(3)= 0.731123 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 0.731123 ) 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 1.367758 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Ca 10.00 40.07800 Ca( 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= 347 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0028818 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0028818 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0028818 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0028818 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0028818 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0028818 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0028818 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0028818 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0028818 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0028818 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0028818 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0028818 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0028818 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0028818 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0028818 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0028818 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0028818 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0028818 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0028818 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0028818 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0028818 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0028818 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0028818 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0028818 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0028818 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0028818 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0028818 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0028818 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0028818 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0028818 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0028818 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0028818 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0028818 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0028818 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0028818 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0028818 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0028818 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028818 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028818 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0028818 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0028818 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0028818 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0028818 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0028818 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0028818 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0028818 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0028818 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0028818 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0028818 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028818 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0028818 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0028818 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0028818 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0028818 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0028818 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0028818 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0028818 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0028818 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0028818 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0028818 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028818 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028818 k( 64) = ( 0.3255814 0.5639235 -0.0000000), wk = 0.0028818 k( 65) = ( 0.3178295 0.5504968 -0.0000000), wk = 0.0028818 k( 66) = ( 0.3100775 0.5370700 -0.0000000), wk = 0.0028818 k( 67) = ( 0.3023256 0.5236433 -0.0000000), wk = 0.0028818 k( 68) = ( 0.2945736 0.5102165 -0.0000000), wk = 0.0028818 k( 69) = ( 0.2868217 0.4967898 -0.0000000), wk = 0.0028818 k( 70) = ( 0.2790698 0.4833630 -0.0000000), wk = 0.0028818 k( 71) = ( 0.2713178 0.4699363 -0.0000000), wk = 0.0028818 k( 72) = ( 0.2635659 0.4565095 -0.0000000), wk = 0.0028818 k( 73) = ( 0.2558140 0.4430828 -0.0000000), wk = 0.0028818 k( 74) = ( 0.2480620 0.4296560 -0.0000000), wk = 0.0028818 k( 75) = ( 0.2403101 0.4162293 -0.0000000), wk = 0.0028818 k( 76) = ( 0.2325581 0.4028025 -0.0000000), wk = 0.0028818 k( 77) = ( 0.2248062 0.3893758 -0.0000000), wk = 0.0028818 k( 78) = ( 0.2170543 0.3759490 -0.0000000), wk = 0.0028818 k( 79) = ( 0.2093023 0.3625223 -0.0000000), wk = 0.0028818 k( 80) = ( 0.2015504 0.3490955 -0.0000000), wk = 0.0028818 k( 81) = ( 0.1937985 0.3356688 -0.0000000), wk = 0.0028818 k( 82) = ( 0.1860465 0.3222420 -0.0000000), wk = 0.0028818 k( 83) = ( 0.1782946 0.3088153 -0.0000000), wk = 0.0028818 k( 84) = ( 0.1705426 0.2953885 -0.0000000), wk = 0.0028818 k( 85) = ( 0.1627907 0.2819618 -0.0000000), wk = 0.0028818 k( 86) = ( 0.1550388 0.2685350 -0.0000000), wk = 0.0028818 k( 87) = ( 0.1472868 0.2551083 -0.0000000), wk = 0.0028818 k( 88) = ( 0.1395349 0.2416815 -0.0000000), wk = 0.0028818 k( 89) = ( 0.1317830 0.2282548 -0.0000000), wk = 0.0028818 k( 90) = ( 0.1240310 0.2148280 -0.0000000), wk = 0.0028818 k( 91) = ( 0.1162791 0.2014013 -0.0000000), wk = 0.0028818 k( 92) = ( 0.1085271 0.1879745 -0.0000000), wk = 0.0028818 k( 93) = ( 0.1007752 0.1745477 -0.0000000), wk = 0.0028818 k( 94) = ( 0.0930233 0.1611210 -0.0000000), wk = 0.0028818 k( 95) = ( 0.0852713 0.1476943 -0.0000000), wk = 0.0028818 k( 96) = ( 0.0775194 0.1342675 -0.0000000), wk = 0.0028818 k( 97) = ( 0.0697674 0.1208408 -0.0000000), wk = 0.0028818 k( 98) = ( 0.0620155 0.1074140 -0.0000000), wk = 0.0028818 k( 99) = ( 0.0542636 0.0939873 -0.0000000), wk = 0.0028818 k( 100) = ( 0.0465116 0.0805605 -0.0000000), wk = 0.0028818 k( 101) = ( 0.0387597 0.0671338 -0.0000000), wk = 0.0028818 k( 102) = ( 0.0310078 0.0537070 -0.0000000), wk = 0.0028818 k( 103) = ( 0.0232558 0.0402802 -0.0000000), wk = 0.0028818 k( 104) = ( 0.0155039 0.0268535 -0.0000000), wk = 0.0028818 k( 105) = ( 0.0077519 0.0134268 -0.0000000), wk = 0.0028818 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 108) = ( 0.0000000 0.0000000 0.0155427), wk = 0.0028818 k( 109) = ( 0.0000000 0.0000000 0.0310854), wk = 0.0028818 k( 110) = ( 0.0000000 0.0000000 0.0466281), wk = 0.0028818 k( 111) = ( 0.0000000 0.0000000 0.0621708), wk = 0.0028818 k( 112) = ( 0.0000000 0.0000000 0.0777135), wk = 0.0028818 k( 113) = ( 0.0000000 0.0000000 0.0932562), wk = 0.0028818 k( 114) = ( 0.0000000 0.0000000 0.1087989), wk = 0.0028818 k( 115) = ( 0.0000000 0.0000000 0.1243417), wk = 0.0028818 k( 116) = ( 0.0000000 0.0000000 0.1398844), wk = 0.0028818 k( 117) = ( 0.0000000 0.0000000 0.1554271), wk = 0.0028818 k( 118) = ( 0.0000000 0.0000000 0.1709698), wk = 0.0028818 k( 119) = ( 0.0000000 0.0000000 0.1865125), wk = 0.0028818 k( 120) = ( 0.0000000 0.0000000 0.2020552), wk = 0.0028818 k( 121) = ( 0.0000000 0.0000000 0.2175979), wk = 0.0028818 k( 122) = ( 0.0000000 0.0000000 0.2331406), wk = 0.0028818 k( 123) = ( 0.0000000 0.0000000 0.2486833), wk = 0.0028818 k( 124) = ( 0.0000000 0.0000000 0.2642260), wk = 0.0028818 k( 125) = ( 0.0000000 0.0000000 0.2797687), wk = 0.0028818 k( 126) = ( 0.0000000 0.0000000 0.2953114), wk = 0.0028818 k( 127) = ( 0.0000000 0.0000000 0.3108541), wk = 0.0028818 k( 128) = ( 0.0000000 0.0000000 0.3263968), wk = 0.0028818 k( 129) = ( 0.0000000 0.0000000 0.3419395), wk = 0.0028818 k( 130) = ( 0.0000000 0.0000000 0.3574823), wk = 0.0028818 k( 131) = ( 0.0000000 0.0000000 0.3730250), wk = 0.0028818 k( 132) = ( 0.0000000 0.0000000 0.3885677), wk = 0.0028818 k( 133) = ( 0.0000000 0.0000000 0.4041104), wk = 0.0028818 k( 134) = ( 0.0000000 0.0000000 0.4196531), wk = 0.0028818 k( 135) = ( 0.0000000 0.0000000 0.4351958), wk = 0.0028818 k( 136) = ( 0.0000000 0.0000000 0.4507385), wk = 0.0028818 k( 137) = ( 0.0000000 0.0000000 0.4662812), wk = 0.0028818 k( 138) = ( 0.0000000 0.0000000 0.4818239), wk = 0.0028818 k( 139) = ( 0.0000000 0.0000000 0.4973666), wk = 0.0028818 k( 140) = ( 0.0000000 0.0000000 0.5129093), wk = 0.0028818 k( 141) = ( 0.0000000 0.0000000 0.5284520), wk = 0.0028818 k( 142) = ( 0.0000000 0.0000000 0.5439947), wk = 0.0028818 k( 143) = ( 0.0000000 0.0000000 0.5595374), wk = 0.0028818 k( 144) = ( 0.0000000 0.0000000 0.5750802), wk = 0.0028818 k( 145) = ( 0.0000000 0.0000000 0.5906229), wk = 0.0028818 k( 146) = ( 0.0000000 0.0000000 0.6061656), wk = 0.0028818 k( 147) = ( 0.0000000 0.0000000 0.6217083), wk = 0.0028818 k( 148) = ( 0.0000000 0.0000000 0.6372510), wk = 0.0028818 k( 149) = ( 0.0000000 0.0000000 0.6527937), wk = 0.0028818 k( 150) = ( 0.0000000 0.0000000 0.6683364), wk = 0.0028818 k( 151) = ( 0.0000000 0.0000000 0.6838791), wk = 0.0028818 k( 152) = ( 0.0000000 0.0000000 0.6838791), wk = 0.0028818 k( 153) = ( 0.0131579 0.0075967 0.6838791), wk = 0.0028818 k( 154) = ( 0.0263158 0.0151934 0.6838791), wk = 0.0028818 k( 155) = ( 0.0394737 0.0227901 0.6838791), wk = 0.0028818 k( 156) = ( 0.0526316 0.0303869 0.6838791), wk = 0.0028818 k( 157) = ( 0.0657895 0.0379836 0.6838791), wk = 0.0028818 k( 158) = ( 0.0789474 0.0455803 0.6838791), wk = 0.0028818 k( 159) = ( 0.0921053 0.0531770 0.6838791), wk = 0.0028818 k( 160) = ( 0.1052632 0.0607737 0.6838791), wk = 0.0028818 k( 161) = ( 0.1184210 0.0683704 0.6838791), wk = 0.0028818 k( 162) = ( 0.1315790 0.0759671 0.6838791), wk = 0.0028818 k( 163) = ( 0.1447368 0.0835639 0.6838791), wk = 0.0028818 k( 164) = ( 0.1578947 0.0911606 0.6838791), wk = 0.0028818 k( 165) = ( 0.1710526 0.0987573 0.6838791), wk = 0.0028818 k( 166) = ( 0.1842105 0.1063540 0.6838791), wk = 0.0028818 k( 167) = ( 0.1973684 0.1139507 0.6838791), wk = 0.0028818 k( 168) = ( 0.2105263 0.1215474 0.6838791), wk = 0.0028818 k( 169) = ( 0.2236842 0.1291441 0.6838791), wk = 0.0028818 k( 170) = ( 0.2368421 0.1367409 0.6838791), wk = 0.0028818 k( 171) = ( 0.2500000 0.1443376 0.6838791), wk = 0.0028818 k( 172) = ( 0.2631579 0.1519343 0.6838791), wk = 0.0028818 k( 173) = ( 0.2763158 0.1595310 0.6838791), wk = 0.0028818 k( 174) = ( 0.2894737 0.1671277 0.6838791), wk = 0.0028818 k( 175) = ( 0.3026316 0.1747244 0.6838791), wk = 0.0028818 k( 176) = ( 0.3157895 0.1823211 0.6838791), wk = 0.0028818 k( 177) = ( 0.3289474 0.1899179 0.6838791), wk = 0.0028818 k( 178) = ( 0.3421053 0.1975146 0.6838791), wk = 0.0028818 k( 179) = ( 0.3552632 0.2051113 0.6838791), wk = 0.0028818 k( 180) = ( 0.3684211 0.2127080 0.6838791), wk = 0.0028818 k( 181) = ( 0.3815789 0.2203047 0.6838791), wk = 0.0028818 k( 182) = ( 0.3947368 0.2279014 0.6838791), wk = 0.0028818 k( 183) = ( 0.4078947 0.2354981 0.6838791), wk = 0.0028818 k( 184) = ( 0.4210526 0.2430948 0.6838791), wk = 0.0028818 k( 185) = ( 0.4342105 0.2506916 0.6838791), wk = 0.0028818 k( 186) = ( 0.4473684 0.2582883 0.6838791), wk = 0.0028818 k( 187) = ( 0.4605263 0.2658850 0.6838791), wk = 0.0028818 k( 188) = ( 0.4736842 0.2734817 0.6838791), wk = 0.0028818 k( 189) = ( 0.4868421 0.2810784 0.6838791), wk = 0.0028818 k( 190) = ( 0.5000000 0.2886751 0.6838791), wk = 0.0028818 k( 191) = ( 0.5000000 0.2886751 0.6838791), wk = 0.0028818 k( 192) = ( 0.4924242 0.3017967 0.6838791), wk = 0.0028818 k( 193) = ( 0.4848485 0.3149183 0.6838791), wk = 0.0028818 k( 194) = ( 0.4772727 0.3280399 0.6838791), wk = 0.0028818 k( 195) = ( 0.4696970 0.3411615 0.6838791), wk = 0.0028818 k( 196) = ( 0.4621212 0.3542831 0.6838791), wk = 0.0028818 k( 197) = ( 0.4545455 0.3674047 0.6838791), wk = 0.0028818 k( 198) = ( 0.4469697 0.3805263 0.6838791), wk = 0.0028818 k( 199) = ( 0.4393939 0.3936479 0.6838791), wk = 0.0028818 k( 200) = ( 0.4318182 0.4067695 0.6838791), wk = 0.0028818 k( 201) = ( 0.4242424 0.4198911 0.6838791), wk = 0.0028818 k( 202) = ( 0.4166667 0.4330127 0.6838791), wk = 0.0028818 k( 203) = ( 0.4090909 0.4461343 0.6838791), wk = 0.0028818 k( 204) = ( 0.4015151 0.4592559 0.6838791), wk = 0.0028818 k( 205) = ( 0.3939394 0.4723775 0.6838791), wk = 0.0028818 k( 206) = ( 0.3863636 0.4854991 0.6838791), wk = 0.0028818 k( 207) = ( 0.3787879 0.4986207 0.6838791), wk = 0.0028818 k( 208) = ( 0.3712121 0.5117423 0.6838791), wk = 0.0028818 k( 209) = ( 0.3636364 0.5248639 0.6838791), wk = 0.0028818 k( 210) = ( 0.3560606 0.5379855 0.6838791), wk = 0.0028818 k( 211) = ( 0.3484849 0.5511071 0.6838791), wk = 0.0028818 k( 212) = ( 0.3409091 0.5642287 0.6838791), wk = 0.0028818 k( 213) = ( 0.3333333 0.5773503 0.6838791), wk = 0.0028818 k( 214) = ( 0.3333333 0.5773503 0.6838791), wk = 0.0028818 k( 215) = ( 0.3255814 0.5639235 0.6838791), wk = 0.0028818 k( 216) = ( 0.3178295 0.5504968 0.6838791), wk = 0.0028818 k( 217) = ( 0.3100775 0.5370700 0.6838791), wk = 0.0028818 k( 218) = ( 0.3023256 0.5236433 0.6838791), wk = 0.0028818 k( 219) = ( 0.2945736 0.5102165 0.6838791), wk = 0.0028818 k( 220) = ( 0.2868217 0.4967898 0.6838791), wk = 0.0028818 k( 221) = ( 0.2790698 0.4833630 0.6838791), wk = 0.0028818 k( 222) = ( 0.2713178 0.4699363 0.6838791), wk = 0.0028818 k( 223) = ( 0.2635659 0.4565095 0.6838791), wk = 0.0028818 k( 224) = ( 0.2558140 0.4430828 0.6838791), wk = 0.0028818 k( 225) = ( 0.2480620 0.4296560 0.6838791), wk = 0.0028818 k( 226) = ( 0.2403101 0.4162293 0.6838791), wk = 0.0028818 k( 227) = ( 0.2325581 0.4028025 0.6838791), wk = 0.0028818 k( 228) = ( 0.2248062 0.3893758 0.6838791), wk = 0.0028818 k( 229) = ( 0.2170543 0.3759490 0.6838791), wk = 0.0028818 k( 230) = ( 0.2093023 0.3625223 0.6838791), wk = 0.0028818 k( 231) = ( 0.2015504 0.3490955 0.6838791), wk = 0.0028818 k( 232) = ( 0.1937985 0.3356688 0.6838791), wk = 0.0028818 k( 233) = ( 0.1860465 0.3222420 0.6838791), wk = 0.0028818 k( 234) = ( 0.1782946 0.3088153 0.6838791), wk = 0.0028818 k( 235) = ( 0.1705426 0.2953885 0.6838791), wk = 0.0028818 k( 236) = ( 0.1627907 0.2819618 0.6838791), wk = 0.0028818 k( 237) = ( 0.1550388 0.2685350 0.6838791), wk = 0.0028818 k( 238) = ( 0.1472868 0.2551083 0.6838791), wk = 0.0028818 k( 239) = ( 0.1395349 0.2416815 0.6838791), wk = 0.0028818 k( 240) = ( 0.1317830 0.2282548 0.6838791), wk = 0.0028818 k( 241) = ( 0.1240310 0.2148280 0.6838791), wk = 0.0028818 k( 242) = ( 0.1162791 0.2014013 0.6838791), wk = 0.0028818 k( 243) = ( 0.1085271 0.1879745 0.6838791), wk = 0.0028818 k( 244) = ( 0.1007752 0.1745477 0.6838791), wk = 0.0028818 k( 245) = ( 0.0930233 0.1611210 0.6838791), wk = 0.0028818 k( 246) = ( 0.0852713 0.1476943 0.6838791), wk = 0.0028818 k( 247) = ( 0.0775194 0.1342675 0.6838791), wk = 0.0028818 k( 248) = ( 0.0697674 0.1208408 0.6838791), wk = 0.0028818 k( 249) = ( 0.0620155 0.1074140 0.6838791), wk = 0.0028818 k( 250) = ( 0.0542636 0.0939873 0.6838791), wk = 0.0028818 k( 251) = ( 0.0465116 0.0805605 0.6838791), wk = 0.0028818 k( 252) = ( 0.0387597 0.0671338 0.6838791), wk = 0.0028818 k( 253) = ( 0.0310078 0.0537070 0.6838791), wk = 0.0028818 k( 254) = ( 0.0232558 0.0402802 0.6838791), wk = 0.0028818 k( 255) = ( 0.0155039 0.0268535 0.6838791), wk = 0.0028818 k( 256) = ( 0.0077519 0.0134268 0.6838791), wk = 0.0028818 k( 257) = ( 0.0000000 0.0000000 0.6838791), wk = 0.0028818 k( 258) = ( 0.5000000 0.2886751 0.6838791), wk = 0.0028818 k( 259) = ( 0.5000000 0.2886751 0.6683364), wk = 0.0028818 k( 260) = ( 0.5000000 0.2886751 0.6527937), wk = 0.0028818 k( 261) = ( 0.5000000 0.2886751 0.6372510), wk = 0.0028818 k( 262) = ( 0.5000000 0.2886751 0.6217083), wk = 0.0028818 k( 263) = ( 0.5000000 0.2886751 0.6061656), wk = 0.0028818 k( 264) = ( 0.5000000 0.2886751 0.5906229), wk = 0.0028818 k( 265) = ( 0.5000000 0.2886751 0.5750802), wk = 0.0028818 k( 266) = ( 0.5000000 0.2886751 0.5595374), wk = 0.0028818 k( 267) = ( 0.5000000 0.2886751 0.5439947), wk = 0.0028818 k( 268) = ( 0.5000000 0.2886751 0.5284520), wk = 0.0028818 k( 269) = ( 0.5000000 0.2886751 0.5129093), wk = 0.0028818 k( 270) = ( 0.5000000 0.2886751 0.4973666), wk = 0.0028818 k( 271) = ( 0.5000000 0.2886751 0.4818239), wk = 0.0028818 k( 272) = ( 0.5000000 0.2886751 0.4662812), wk = 0.0028818 k( 273) = ( 0.5000000 0.2886751 0.4507385), wk = 0.0028818 k( 274) = ( 0.5000000 0.2886751 0.4351958), wk = 0.0028818 k( 275) = ( 0.5000000 0.2886751 0.4196531), wk = 0.0028818 k( 276) = ( 0.5000000 0.2886751 0.4041104), wk = 0.0028818 k( 277) = ( 0.5000000 0.2886751 0.3885677), wk = 0.0028818 k( 278) = ( 0.5000000 0.2886751 0.3730250), wk = 0.0028818 k( 279) = ( 0.5000000 0.2886751 0.3574823), wk = 0.0028818 k( 280) = ( 0.5000000 0.2886751 0.3419395), wk = 0.0028818 k( 281) = ( 0.5000000 0.2886751 0.3263968), wk = 0.0028818 k( 282) = ( 0.5000000 0.2886751 0.3108541), wk = 0.0028818 k( 283) = ( 0.5000000 0.2886751 0.2953114), wk = 0.0028818 k( 284) = ( 0.5000000 0.2886751 0.2797687), wk = 0.0028818 k( 285) = ( 0.5000000 0.2886751 0.2642260), wk = 0.0028818 k( 286) = ( 0.5000000 0.2886751 0.2486833), wk = 0.0028818 k( 287) = ( 0.5000000 0.2886751 0.2331406), wk = 0.0028818 k( 288) = ( 0.5000000 0.2886751 0.2175979), wk = 0.0028818 k( 289) = ( 0.5000000 0.2886751 0.2020552), wk = 0.0028818 k( 290) = ( 0.5000000 0.2886751 0.1865125), wk = 0.0028818 k( 291) = ( 0.5000000 0.2886751 0.1709698), wk = 0.0028818 k( 292) = ( 0.5000000 0.2886751 0.1554271), wk = 0.0028818 k( 293) = ( 0.5000000 0.2886751 0.1398844), wk = 0.0028818 k( 294) = ( 0.5000000 0.2886751 0.1243417), wk = 0.0028818 k( 295) = ( 0.5000000 0.2886751 0.1087989), wk = 0.0028818 k( 296) = ( 0.5000000 0.2886751 0.0932562), wk = 0.0028818 k( 297) = ( 0.5000000 0.2886751 0.0777135), wk = 0.0028818 k( 298) = ( 0.5000000 0.2886751 0.0621708), wk = 0.0028818 k( 299) = ( 0.5000000 0.2886751 0.0466281), wk = 0.0028818 k( 300) = ( 0.5000000 0.2886751 0.0310854), wk = 0.0028818 k( 301) = ( 0.5000000 0.2886751 0.0155427), wk = 0.0028818 k( 302) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028818 k( 303) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028818 k( 304) = ( 0.3333333 0.5773503 0.0155427), wk = 0.0028818 k( 305) = ( 0.3333333 0.5773503 0.0310854), wk = 0.0028818 k( 306) = ( 0.3333333 0.5773503 0.0466281), wk = 0.0028818 k( 307) = ( 0.3333333 0.5773503 0.0621708), wk = 0.0028818 k( 308) = ( 0.3333333 0.5773503 0.0777135), wk = 0.0028818 k( 309) = ( 0.3333333 0.5773503 0.0932562), wk = 0.0028818 k( 310) = ( 0.3333333 0.5773503 0.1087989), wk = 0.0028818 k( 311) = ( 0.3333333 0.5773503 0.1243417), wk = 0.0028818 k( 312) = ( 0.3333333 0.5773503 0.1398844), wk = 0.0028818 k( 313) = ( 0.3333333 0.5773503 0.1554271), wk = 0.0028818 k( 314) = ( 0.3333333 0.5773503 0.1709698), wk = 0.0028818 k( 315) = ( 0.3333333 0.5773503 0.1865125), wk = 0.0028818 k( 316) = ( 0.3333333 0.5773503 0.2020552), wk = 0.0028818 k( 317) = ( 0.3333333 0.5773503 0.2175979), wk = 0.0028818 k( 318) = ( 0.3333333 0.5773503 0.2331406), wk = 0.0028818 k( 319) = ( 0.3333333 0.5773503 0.2486833), wk = 0.0028818 k( 320) = ( 0.3333333 0.5773503 0.2642260), wk = 0.0028818 k( 321) = ( 0.3333333 0.5773503 0.2797687), wk = 0.0028818 k( 322) = ( 0.3333333 0.5773503 0.2953114), wk = 0.0028818 k( 323) = ( 0.3333333 0.5773503 0.3108541), wk = 0.0028818 k( 324) = ( 0.3333333 0.5773503 0.3263968), wk = 0.0028818 k( 325) = ( 0.3333333 0.5773503 0.3419395), wk = 0.0028818 k( 326) = ( 0.3333333 0.5773503 0.3574823), wk = 0.0028818 k( 327) = ( 0.3333333 0.5773503 0.3730250), wk = 0.0028818 k( 328) = ( 0.3333333 0.5773503 0.3885677), wk = 0.0028818 k( 329) = ( 0.3333333 0.5773503 0.4041104), wk = 0.0028818 k( 330) = ( 0.3333333 0.5773503 0.4196531), wk = 0.0028818 k( 331) = ( 0.3333333 0.5773503 0.4351958), wk = 0.0028818 k( 332) = ( 0.3333333 0.5773503 0.4507385), wk = 0.0028818 k( 333) = ( 0.3333333 0.5773503 0.4662812), wk = 0.0028818 k( 334) = ( 0.3333333 0.5773503 0.4818239), wk = 0.0028818 k( 335) = ( 0.3333333 0.5773503 0.4973666), wk = 0.0028818 k( 336) = ( 0.3333333 0.5773503 0.5129093), wk = 0.0028818 k( 337) = ( 0.3333333 0.5773503 0.5284520), wk = 0.0028818 k( 338) = ( 0.3333333 0.5773503 0.5439947), wk = 0.0028818 k( 339) = ( 0.3333333 0.5773503 0.5595374), wk = 0.0028818 k( 340) = ( 0.3333333 0.5773503 0.5750802), wk = 0.0028818 k( 341) = ( 0.3333333 0.5773503 0.5906229), wk = 0.0028818 k( 342) = ( 0.3333333 0.5773503 0.6061656), wk = 0.0028818 k( 343) = ( 0.3333333 0.5773503 0.6217083), wk = 0.0028818 k( 344) = ( 0.3333333 0.5773503 0.6372510), wk = 0.0028818 k( 345) = ( 0.3333333 0.5773503 0.6527937), wk = 0.0028818 k( 346) = ( 0.3333333 0.5773503 0.6683364), wk = 0.0028818 k( 347) = ( 0.3333333 0.5773503 0.6838791), wk = 0.0028818 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0131579 0.0000000 0.0000000), wk = 0.0028818 k( 3) = ( 0.0263158 0.0000000 0.0000000), wk = 0.0028818 k( 4) = ( 0.0394737 0.0000000 0.0000000), wk = 0.0028818 k( 5) = ( 0.0526316 0.0000000 0.0000000), wk = 0.0028818 k( 6) = ( 0.0657895 0.0000000 0.0000000), wk = 0.0028818 k( 7) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0028818 k( 8) = ( 0.0921053 0.0000000 0.0000000), wk = 0.0028818 k( 9) = ( 0.1052632 0.0000000 0.0000000), wk = 0.0028818 k( 10) = ( 0.1184210 0.0000000 0.0000000), wk = 0.0028818 k( 11) = ( 0.1315790 0.0000000 0.0000000), wk = 0.0028818 k( 12) = ( 0.1447368 0.0000000 0.0000000), wk = 0.0028818 k( 13) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0028818 k( 14) = ( 0.1710526 0.0000000 0.0000000), wk = 0.0028818 k( 15) = ( 0.1842105 0.0000000 0.0000000), wk = 0.0028818 k( 16) = ( 0.1973684 0.0000000 0.0000000), wk = 0.0028818 k( 17) = ( 0.2105263 0.0000000 0.0000000), wk = 0.0028818 k( 18) = ( 0.2236842 0.0000000 0.0000000), wk = 0.0028818 k( 19) = ( 0.2368421 0.0000000 0.0000000), wk = 0.0028818 k( 20) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0028818 k( 21) = ( 0.2631579 0.0000000 0.0000000), wk = 0.0028818 k( 22) = ( 0.2763158 0.0000000 0.0000000), wk = 0.0028818 k( 23) = ( 0.2894737 0.0000000 0.0000000), wk = 0.0028818 k( 24) = ( 0.3026316 0.0000000 0.0000000), wk = 0.0028818 k( 25) = ( 0.3157895 0.0000000 0.0000000), wk = 0.0028818 k( 26) = ( 0.3289474 0.0000000 0.0000000), wk = 0.0028818 k( 27) = ( 0.3421053 0.0000000 0.0000000), wk = 0.0028818 k( 28) = ( 0.3552632 0.0000000 0.0000000), wk = 0.0028818 k( 29) = ( 0.3684211 0.0000000 0.0000000), wk = 0.0028818 k( 30) = ( 0.3815789 0.0000000 0.0000000), wk = 0.0028818 k( 31) = ( 0.3947368 0.0000000 0.0000000), wk = 0.0028818 k( 32) = ( 0.4078947 0.0000000 0.0000000), wk = 0.0028818 k( 33) = ( 0.4210526 0.0000000 0.0000000), wk = 0.0028818 k( 34) = ( 0.4342105 0.0000000 0.0000000), wk = 0.0028818 k( 35) = ( 0.4473684 0.0000000 0.0000000), wk = 0.0028818 k( 36) = ( 0.4605263 0.0000000 0.0000000), wk = 0.0028818 k( 37) = ( 0.4736842 0.0000000 0.0000000), wk = 0.0028818 k( 38) = ( 0.4868421 0.0000000 0.0000000), wk = 0.0028818 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028818 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028818 k( 41) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0028818 k( 42) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0028818 k( 43) = ( 0.4772727 0.0454546 0.0000000), wk = 0.0028818 k( 44) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0028818 k( 45) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0028818 k( 46) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0028818 k( 47) = ( 0.4469697 0.1060606 0.0000000), wk = 0.0028818 k( 48) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0028818 k( 49) = ( 0.4318182 0.1363636 0.0000000), wk = 0.0028818 k( 50) = ( 0.4242424 0.1515152 0.0000000), wk = 0.0028818 k( 51) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0028818 k( 52) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0028818 k( 53) = ( 0.4015151 0.1969697 -0.0000000), wk = 0.0028818 k( 54) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0028818 k( 55) = ( 0.3863636 0.2272727 0.0000000), wk = 0.0028818 k( 56) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0028818 k( 57) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0028818 k( 58) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0028818 k( 59) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0028818 k( 60) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0028818 k( 61) = ( 0.3409091 0.3181818 0.0000000), wk = 0.0028818 k( 62) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028818 k( 63) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028818 k( 64) = ( 0.3255814 0.3255814 0.0000000), wk = 0.0028818 k( 65) = ( 0.3178295 0.3178295 -0.0000000), wk = 0.0028818 k( 66) = ( 0.3100775 0.3100775 0.0000000), wk = 0.0028818 k( 67) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0028818 k( 68) = ( 0.2945736 0.2945736 0.0000000), wk = 0.0028818 k( 69) = ( 0.2868217 0.2868217 -0.0000000), wk = 0.0028818 k( 70) = ( 0.2790698 0.2790698 0.0000000), wk = 0.0028818 k( 71) = ( 0.2713178 0.2713178 0.0000000), wk = 0.0028818 k( 72) = ( 0.2635659 0.2635659 0.0000000), wk = 0.0028818 k( 73) = ( 0.2558140 0.2558140 -0.0000000), wk = 0.0028818 k( 74) = ( 0.2480620 0.2480620 0.0000000), wk = 0.0028818 k( 75) = ( 0.2403101 0.2403101 0.0000000), wk = 0.0028818 k( 76) = ( 0.2325581 0.2325581 -0.0000000), wk = 0.0028818 k( 77) = ( 0.2248062 0.2248062 -0.0000000), wk = 0.0028818 k( 78) = ( 0.2170543 0.2170543 -0.0000000), wk = 0.0028818 k( 79) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0028818 k( 80) = ( 0.2015504 0.2015504 -0.0000000), wk = 0.0028818 k( 81) = ( 0.1937985 0.1937985 0.0000000), wk = 0.0028818 k( 82) = ( 0.1860465 0.1860465 -0.0000000), wk = 0.0028818 k( 83) = ( 0.1782946 0.1782946 -0.0000000), wk = 0.0028818 k( 84) = ( 0.1705426 0.1705426 -0.0000000), wk = 0.0028818 k( 85) = ( 0.1627907 0.1627907 0.0000000), wk = 0.0028818 k( 86) = ( 0.1550388 0.1550388 0.0000000), wk = 0.0028818 k( 87) = ( 0.1472868 0.1472868 0.0000000), wk = 0.0028818 k( 88) = ( 0.1395349 0.1395349 -0.0000000), wk = 0.0028818 k( 89) = ( 0.1317830 0.1317830 0.0000000), wk = 0.0028818 k( 90) = ( 0.1240310 0.1240310 0.0000000), wk = 0.0028818 k( 91) = ( 0.1162791 0.1162791 -0.0000000), wk = 0.0028818 k( 92) = ( 0.1085271 0.1085271 -0.0000000), wk = 0.0028818 k( 93) = ( 0.1007752 0.1007752 -0.0000000), wk = 0.0028818 k( 94) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0028818 k( 95) = ( 0.0852713 0.0852713 -0.0000000), wk = 0.0028818 k( 96) = ( 0.0775194 0.0775194 0.0000000), wk = 0.0028818 k( 97) = ( 0.0697674 0.0697674 -0.0000000), wk = 0.0028818 k( 98) = ( 0.0620155 0.0620155 -0.0000000), wk = 0.0028818 k( 99) = ( 0.0542636 0.0542636 -0.0000000), wk = 0.0028818 k( 100) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0028818 k( 101) = ( 0.0387597 0.0387597 0.0000000), wk = 0.0028818 k( 102) = ( 0.0310078 0.0310077 -0.0000000), wk = 0.0028818 k( 103) = ( 0.0232558 0.0232558 -0.0000000), wk = 0.0028818 k( 104) = ( 0.0155039 0.0155039 0.0000000), wk = 0.0028818 k( 105) = ( 0.0077519 0.0077519 0.0000000), wk = 0.0028818 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 108) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0028818 k( 109) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0028818 k( 110) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0028818 k( 111) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0028818 k( 112) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0028818 k( 113) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0028818 k( 114) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0028818 k( 115) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0028818 k( 116) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0028818 k( 117) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0028818 k( 118) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028818 k( 119) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0028818 k( 120) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0028818 k( 121) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0028818 k( 122) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0028818 k( 123) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0028818 k( 124) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0028818 k( 125) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0028818 k( 126) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0028818 k( 127) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0028818 k( 128) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0028818 k( 129) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028818 k( 130) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0028818 k( 131) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0028818 k( 132) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0028818 k( 133) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0028818 k( 134) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0028818 k( 135) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0028818 k( 136) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0028818 k( 137) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0028818 k( 138) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0028818 k( 139) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0028818 k( 140) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028818 k( 141) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0028818 k( 142) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0028818 k( 143) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0028818 k( 144) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0028818 k( 145) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0028818 k( 146) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0028818 k( 147) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0028818 k( 148) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0028818 k( 149) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0028818 k( 150) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0028818 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 153) = ( 0.0131579 0.0000000 0.5000000), wk = 0.0028818 k( 154) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0028818 k( 155) = ( 0.0394737 0.0000000 0.5000000), wk = 0.0028818 k( 156) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0028818 k( 157) = ( 0.0657895 0.0000000 0.5000000), wk = 0.0028818 k( 158) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0028818 k( 159) = ( 0.0921053 0.0000000 0.5000000), wk = 0.0028818 k( 160) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0028818 k( 161) = ( 0.1184210 0.0000000 0.5000000), wk = 0.0028818 k( 162) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0028818 k( 163) = ( 0.1447368 0.0000000 0.5000000), wk = 0.0028818 k( 164) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0028818 k( 165) = ( 0.1710526 0.0000000 0.5000000), wk = 0.0028818 k( 166) = ( 0.1842105 0.0000000 0.5000000), wk = 0.0028818 k( 167) = ( 0.1973684 0.0000000 0.5000000), wk = 0.0028818 k( 168) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0028818 k( 169) = ( 0.2236842 0.0000000 0.5000000), wk = 0.0028818 k( 170) = ( 0.2368421 0.0000000 0.5000000), wk = 0.0028818 k( 171) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028818 k( 172) = ( 0.2631579 0.0000000 0.5000000), wk = 0.0028818 k( 173) = ( 0.2763158 0.0000000 0.5000000), wk = 0.0028818 k( 174) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0028818 k( 175) = ( 0.3026316 0.0000000 0.5000000), wk = 0.0028818 k( 176) = ( 0.3157895 0.0000000 0.5000000), wk = 0.0028818 k( 177) = ( 0.3289474 0.0000000 0.5000000), wk = 0.0028818 k( 178) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0028818 k( 179) = ( 0.3552632 0.0000000 0.5000000), wk = 0.0028818 k( 180) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0028818 k( 181) = ( 0.3815789 0.0000000 0.5000000), wk = 0.0028818 k( 182) = ( 0.3947368 0.0000000 0.5000000), wk = 0.0028818 k( 183) = ( 0.4078947 0.0000000 0.5000000), wk = 0.0028818 k( 184) = ( 0.4210526 0.0000000 0.5000000), wk = 0.0028818 k( 185) = ( 0.4342105 0.0000000 0.5000000), wk = 0.0028818 k( 186) = ( 0.4473684 0.0000000 0.5000000), wk = 0.0028818 k( 187) = ( 0.4605263 0.0000000 0.5000000), wk = 0.0028818 k( 188) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0028818 k( 189) = ( 0.4868421 0.0000000 0.5000000), wk = 0.0028818 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028818 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028818 k( 192) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0028818 k( 193) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0028818 k( 194) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0028818 k( 195) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0028818 k( 196) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0028818 k( 197) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0028818 k( 198) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0028818 k( 199) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0028818 k( 200) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0028818 k( 201) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0028818 k( 202) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028818 k( 203) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0028818 k( 204) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0028818 k( 205) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0028818 k( 206) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0028818 k( 207) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0028818 k( 208) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0028818 k( 209) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0028818 k( 210) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0028818 k( 211) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0028818 k( 212) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0028818 k( 213) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028818 k( 214) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028818 k( 215) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0028818 k( 216) = ( 0.3178295 0.3178295 0.5000000), wk = 0.0028818 k( 217) = ( 0.3100775 0.3100775 0.5000000), wk = 0.0028818 k( 218) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0028818 k( 219) = ( 0.2945736 0.2945736 0.5000000), wk = 0.0028818 k( 220) = ( 0.2868217 0.2868217 0.5000000), wk = 0.0028818 k( 221) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0028818 k( 222) = ( 0.2713178 0.2713178 0.5000000), wk = 0.0028818 k( 223) = ( 0.2635659 0.2635659 0.5000000), wk = 0.0028818 k( 224) = ( 0.2558140 0.2558140 0.5000000), wk = 0.0028818 k( 225) = ( 0.2480620 0.2480620 0.5000000), wk = 0.0028818 k( 226) = ( 0.2403101 0.2403101 0.5000000), wk = 0.0028818 k( 227) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0028818 k( 228) = ( 0.2248062 0.2248062 0.5000000), wk = 0.0028818 k( 229) = ( 0.2170543 0.2170543 0.5000000), wk = 0.0028818 k( 230) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0028818 k( 231) = ( 0.2015504 0.2015504 0.5000000), wk = 0.0028818 k( 232) = ( 0.1937985 0.1937985 0.5000000), wk = 0.0028818 k( 233) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0028818 k( 234) = ( 0.1782946 0.1782946 0.5000000), wk = 0.0028818 k( 235) = ( 0.1705426 0.1705426 0.5000000), wk = 0.0028818 k( 236) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0028818 k( 237) = ( 0.1550388 0.1550388 0.5000000), wk = 0.0028818 k( 238) = ( 0.1472868 0.1472868 0.5000000), wk = 0.0028818 k( 239) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0028818 k( 240) = ( 0.1317830 0.1317830 0.5000000), wk = 0.0028818 k( 241) = ( 0.1240310 0.1240310 0.5000000), wk = 0.0028818 k( 242) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0028818 k( 243) = ( 0.1085271 0.1085271 0.5000000), wk = 0.0028818 k( 244) = ( 0.1007752 0.1007752 0.5000000), wk = 0.0028818 k( 245) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0028818 k( 246) = ( 0.0852713 0.0852713 0.5000000), wk = 0.0028818 k( 247) = ( 0.0775194 0.0775194 0.5000000), wk = 0.0028818 k( 248) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0028818 k( 249) = ( 0.0620155 0.0620155 0.5000000), wk = 0.0028818 k( 250) = ( 0.0542636 0.0542636 0.5000000), wk = 0.0028818 k( 251) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0028818 k( 252) = ( 0.0387597 0.0387597 0.5000000), wk = 0.0028818 k( 253) = ( 0.0310078 0.0310077 0.5000000), wk = 0.0028818 k( 254) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0028818 k( 255) = ( 0.0155039 0.0155039 0.5000000), wk = 0.0028818 k( 256) = ( 0.0077519 0.0077519 0.5000000), wk = 0.0028818 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 258) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028818 k( 259) = ( 0.5000000 0.0000000 0.4886364), wk = 0.0028818 k( 260) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0028818 k( 261) = ( 0.5000000 0.0000000 0.4659091), wk = 0.0028818 k( 262) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0028818 k( 263) = ( 0.5000000 0.0000000 0.4431818), wk = 0.0028818 k( 264) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0028818 k( 265) = ( 0.5000000 0.0000000 0.4204545), wk = 0.0028818 k( 266) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0028818 k( 267) = ( 0.5000000 0.0000000 0.3977273), wk = 0.0028818 k( 268) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0028818 k( 269) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0028818 k( 270) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0028818 k( 271) = ( 0.5000000 0.0000000 0.3522727), wk = 0.0028818 k( 272) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0028818 k( 273) = ( 0.5000000 0.0000000 0.3295455), wk = 0.0028818 k( 274) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0028818 k( 275) = ( 0.5000000 0.0000000 0.3068182), wk = 0.0028818 k( 276) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0028818 k( 277) = ( 0.5000000 0.0000000 0.2840909), wk = 0.0028818 k( 278) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0028818 k( 279) = ( 0.5000000 0.0000000 0.2613636), wk = 0.0028818 k( 280) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028818 k( 281) = ( 0.5000000 0.0000000 0.2386364), wk = 0.0028818 k( 282) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0028818 k( 283) = ( 0.5000000 0.0000000 0.2159091), wk = 0.0028818 k( 284) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0028818 k( 285) = ( 0.5000000 0.0000000 0.1931818), wk = 0.0028818 k( 286) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0028818 k( 287) = ( 0.5000000 0.0000000 0.1704546), wk = 0.0028818 k( 288) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0028818 k( 289) = ( 0.5000000 0.0000000 0.1477273), wk = 0.0028818 k( 290) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0028818 k( 291) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0028818 k( 292) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0028818 k( 293) = ( 0.5000000 0.0000000 0.1022727), wk = 0.0028818 k( 294) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0028818 k( 295) = ( 0.5000000 0.0000000 0.0795455), wk = 0.0028818 k( 296) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0028818 k( 297) = ( 0.5000000 0.0000000 0.0568182), wk = 0.0028818 k( 298) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0028818 k( 299) = ( 0.5000000 0.0000000 0.0340909), wk = 0.0028818 k( 300) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0028818 k( 301) = ( 0.5000000 0.0000000 0.0113636), wk = 0.0028818 k( 302) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028818 k( 303) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028818 k( 304) = ( 0.3333333 0.3333333 0.0113636), wk = 0.0028818 k( 305) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0028818 k( 306) = ( 0.3333333 0.3333333 0.0340909), wk = 0.0028818 k( 307) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0028818 k( 308) = ( 0.3333333 0.3333333 0.0568182), wk = 0.0028818 k( 309) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0028818 k( 310) = ( 0.3333333 0.3333333 0.0795455), wk = 0.0028818 k( 311) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0028818 k( 312) = ( 0.3333333 0.3333333 0.1022727), wk = 0.0028818 k( 313) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0028818 k( 314) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0028818 k( 315) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0028818 k( 316) = ( 0.3333333 0.3333333 0.1477273), wk = 0.0028818 k( 317) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0028818 k( 318) = ( 0.3333333 0.3333333 0.1704546), wk = 0.0028818 k( 319) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0028818 k( 320) = ( 0.3333333 0.3333333 0.1931818), wk = 0.0028818 k( 321) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0028818 k( 322) = ( 0.3333333 0.3333333 0.2159091), wk = 0.0028818 k( 323) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0028818 k( 324) = ( 0.3333333 0.3333333 0.2386364), wk = 0.0028818 k( 325) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028818 k( 326) = ( 0.3333333 0.3333333 0.2613636), wk = 0.0028818 k( 327) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0028818 k( 328) = ( 0.3333333 0.3333333 0.2840909), wk = 0.0028818 k( 329) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0028818 k( 330) = ( 0.3333333 0.3333333 0.3068182), wk = 0.0028818 k( 331) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0028818 k( 332) = ( 0.3333333 0.3333333 0.3295455), wk = 0.0028818 k( 333) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0028818 k( 334) = ( 0.3333333 0.3333333 0.3522727), wk = 0.0028818 k( 335) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0028818 k( 336) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0028818 k( 337) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0028818 k( 338) = ( 0.3333333 0.3333333 0.3977273), wk = 0.0028818 k( 339) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0028818 k( 340) = ( 0.3333333 0.3333333 0.4204545), wk = 0.0028818 k( 341) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0028818 k( 342) = ( 0.3333333 0.3333333 0.4431818), wk = 0.0028818 k( 343) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0028818 k( 344) = ( 0.3333333 0.3333333 0.4659091), wk = 0.0028818 k( 345) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0028818 k( 346) = ( 0.3333333 0.3333333 0.4886364), wk = 0.0028818 k( 347) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028818 Dense grid: 71413 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 21125 G-vectors FFT dimensions: ( 40, 40, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 160, 42) NL pseudopotentials 0.12 Mb ( 80, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 1985) G-vector shells 0.01 Mb ( 964) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.41 Mb ( 160, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 102, 2, 42) The potential is recalculated from file : ./CaHg2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.2 secs Computing kpt #: 12 total cpu time spent up to now is 9.8 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 10.9 secs Computing kpt #: 15 total cpu time spent up to now is 11.4 secs Computing kpt #: 16 total cpu time spent up to now is 12.0 secs Computing kpt #: 17 total cpu time spent up to now is 12.6 secs Computing kpt #: 18 total cpu time spent up to now is 13.2 secs Computing kpt #: 19 total cpu time spent up to now is 13.8 secs Computing kpt #: 20 total cpu time spent up to now is 14.3 secs Computing kpt #: 21 total cpu time spent up to now is 14.8 secs Computing kpt #: 22 total cpu time spent up to now is 15.3 secs Computing kpt #: 23 total cpu time spent up to now is 15.7 secs Computing kpt #: 24 total cpu time spent up to now is 16.2 secs Computing kpt #: 25 total cpu time spent up to now is 16.7 secs Computing kpt #: 26 total cpu time spent up to now is 17.1 secs Computing kpt #: 27 total cpu time spent up to now is 17.5 secs Computing kpt #: 28 total cpu time spent up to now is 18.0 secs Computing kpt #: 29 total cpu time spent up to now is 18.5 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.4 secs Computing kpt #: 32 total cpu time spent up to now is 19.9 secs Computing kpt #: 33 total cpu time spent up to now is 20.3 secs Computing kpt #: 34 total cpu time spent up to now is 20.9 secs Computing kpt #: 35 total cpu time spent up to now is 21.3 secs Computing kpt #: 36 total cpu time spent up to now is 21.9 secs Computing kpt #: 37 total cpu time spent up to now is 22.4 secs Computing kpt #: 38 total cpu time spent up to now is 22.9 secs Computing kpt #: 39 total cpu time spent up to now is 23.4 secs Computing kpt #: 40 total cpu time spent up to now is 23.9 secs Computing kpt #: 41 total cpu time spent up to now is 24.4 secs Computing kpt #: 42 total cpu time spent up to now is 24.9 secs Computing kpt #: 43 total cpu time spent up to now is 25.4 secs Computing kpt #: 44 total cpu time spent up to now is 25.9 secs Computing kpt #: 45 total cpu time spent up to now is 26.4 secs Computing kpt #: 46 total cpu time spent up to now is 26.8 secs Computing kpt #: 47 total cpu time spent up to now is 27.3 secs Computing kpt #: 48 total cpu time spent up to now is 27.8 secs Computing kpt #: 49 total cpu time spent up to now is 28.3 secs Computing kpt #: 50 total cpu time spent up to now is 28.8 secs Computing kpt #: 51 total cpu time spent up to now is 29.4 secs Computing kpt #: 52 total cpu time spent up to now is 29.9 secs Computing kpt #: 53 total cpu time spent up to now is 30.4 secs Computing kpt #: 54 total cpu time spent up to now is 30.9 secs Computing kpt #: 55 total cpu time spent up to now is 31.5 secs Computing kpt #: 56 total cpu time spent up to now is 32.0 secs Computing kpt #: 57 total cpu time spent up to now is 32.7 secs Computing kpt #: 58 total cpu time spent up to now is 33.3 secs Computing kpt #: 59 total cpu time spent up to now is 34.0 secs Computing kpt #: 60 total cpu time spent up to now is 34.7 secs Computing kpt #: 61 total cpu time spent up to now is 35.4 secs Computing kpt #: 62 total cpu time spent up to now is 35.9 secs Computing kpt #: 63 total cpu time spent up to now is 36.5 secs Computing kpt #: 64 total cpu time spent up to now is 37.2 secs Computing kpt #: 65 total cpu time spent up to now is 37.9 secs Computing kpt #: 66 total cpu time spent up to now is 38.5 secs Computing kpt #: 67 total cpu time spent up to now is 39.2 secs Computing kpt #: 68 total cpu time spent up to now is 39.9 secs Computing kpt #: 69 total cpu time spent up to now is 40.6 secs Computing kpt #: 70 total cpu time spent up to now is 41.1 secs Computing kpt #: 71 total cpu time spent up to now is 41.6 secs Computing kpt #: 72 total cpu time spent up to now is 42.2 secs Computing kpt #: 73 total cpu time spent up to now is 42.7 secs Computing kpt #: 74 total cpu time spent up to now is 43.2 secs Computing kpt #: 75 total cpu time spent up to now is 43.8 secs Computing kpt #: 76 total cpu time spent up to now is 44.2 secs Computing kpt #: 77 total cpu time spent up to now is 44.7 secs Computing kpt #: 78 total cpu time spent up to now is 45.2 secs Computing kpt #: 79 total cpu time spent up to now is 45.7 secs Computing kpt #: 80 total cpu time spent up to now is 46.2 secs Computing kpt #: 81 total cpu time spent up to now is 46.7 secs Computing kpt #: 82 total cpu time spent up to now is 47.1 secs Computing kpt #: 83 total cpu time spent up to now is 47.6 secs Computing kpt #: 84 total cpu time spent up to now is 48.1 secs Computing kpt #: 85 total cpu time spent up to now is 48.6 secs Computing kpt #: 86 total cpu time spent up to now is 49.1 secs Computing kpt #: 87 total cpu time spent up to now is 49.7 secs Computing kpt #: 88 total cpu time spent up to now is 50.2 secs Computing kpt #: 89 total cpu time spent up to now is 50.8 secs Computing kpt #: 90 total cpu time spent up to now is 51.3 secs Computing kpt #: 91 total cpu time spent up to now is 51.9 secs Computing kpt #: 92 total cpu time spent up to now is 52.4 secs Computing kpt #: 93 total cpu time spent up to now is 53.0 secs Computing kpt #: 94 total cpu time spent up to now is 53.5 secs Computing kpt #: 95 total cpu time spent up to now is 54.1 secs Computing kpt #: 96 total cpu time spent up to now is 54.7 secs Computing kpt #: 97 total cpu time spent up to now is 55.3 secs Computing kpt #: 98 total cpu time spent up to now is 55.9 secs Computing kpt #: 99 total cpu time spent up to now is 56.4 secs Computing kpt #: 100 total cpu time spent up to now is 57.0 secs Computing kpt #: 101 total cpu time spent up to now is 57.5 secs Computing kpt #: 102 total cpu time spent up to now is 58.1 secs Computing kpt #: 103 total cpu time spent up to now is 58.7 secs Computing kpt #: 104 total cpu time spent up to now is 59.2 secs Computing kpt #: 105 total cpu time spent up to now is 59.9 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.9 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.8 secs Computing kpt #: 108 total cpu time spent up to now is 62.4 secs Computing kpt #: 109 total cpu time spent up to now is 62.9 secs Computing kpt #: 110 total cpu time spent up to now is 63.4 secs Computing kpt #: 111 total cpu time spent up to now is 63.9 secs Computing kpt #: 112 total cpu time spent up to now is 64.4 secs Computing kpt #: 113 total cpu time spent up to now is 64.9 secs Computing kpt #: 114 total cpu time spent up to now is 65.4 secs Computing kpt #: 115 total cpu time spent up to now is 65.8 secs Computing kpt #: 116 total cpu time spent up to now is 66.3 secs Computing kpt #: 117 total cpu time spent up to now is 66.8 secs Computing kpt #: 118 total cpu time spent up to now is 67.3 secs Computing kpt #: 119 total cpu time spent up to now is 67.8 secs Computing kpt #: 120 total cpu time spent up to now is 68.3 secs Computing kpt #: 121 total cpu time spent up to now is 68.8 secs Computing kpt #: 122 total cpu time spent up to now is 69.3 secs Computing kpt #: 123 total cpu time spent up to now is 69.8 secs Computing kpt #: 124 total cpu time spent up to now is 70.4 secs Computing kpt #: 125 total cpu time spent up to now is 71.1 secs Computing kpt #: 126 total cpu time spent up to now is 71.6 secs Computing kpt #: 127 total cpu time spent up to now is 72.2 secs Computing kpt #: 128 total cpu time spent up to now is 72.7 secs Computing kpt #: 129 total cpu time spent up to now is 73.2 secs Computing kpt #: 130 total cpu time spent up to now is 73.7 secs Computing kpt #: 131 total cpu time spent up to now is 74.2 secs Computing kpt #: 132 total cpu time spent up to now is 74.7 secs Computing kpt #: 133 total cpu time spent up to now is 75.2 secs Computing kpt #: 134 total cpu time spent up to now is 75.7 secs Computing kpt #: 135 total cpu time spent up to now is 76.1 secs Computing kpt #: 136 total cpu time spent up to now is 76.6 secs Computing kpt #: 137 total cpu time spent up to now is 77.0 secs Computing kpt #: 138 total cpu time spent up to now is 77.5 secs Computing kpt #: 139 total cpu time spent up to now is 77.9 secs Computing kpt #: 140 total cpu time spent up to now is 78.3 secs Computing kpt #: 141 total cpu time spent up to now is 78.6 secs Computing kpt #: 142 total cpu time spent up to now is 79.0 secs Computing kpt #: 143 total cpu time spent up to now is 79.4 secs Computing kpt #: 144 total cpu time spent up to now is 79.9 secs Computing kpt #: 145 total cpu time spent up to now is 80.3 secs Computing kpt #: 146 total cpu time spent up to now is 80.8 secs Computing kpt #: 147 total cpu time spent up to now is 81.4 secs Computing kpt #: 148 total cpu time spent up to now is 82.3 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.3 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.3 secs Computing kpt #: 151 total cpu time spent up to now is 84.9 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.7 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.7 secs Computing kpt #: 154 total cpu time spent up to now is 91.6 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.6 secs Computing kpt #: 156 total cpu time spent up to now is 93.4 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.4 secs Computing kpt #: 158 total cpu time spent up to now is 94.9 secs Computing kpt #: 159 total cpu time spent up to now is 95.5 secs Computing kpt #: 160 total cpu time spent up to now is 96.0 secs Computing kpt #: 161 total cpu time spent up to now is 96.4 secs Computing kpt #: 162 total cpu time spent up to now is 96.9 secs Computing kpt #: 163 total cpu time spent up to now is 97.3 secs Computing kpt #: 164 total cpu time spent up to now is 97.8 secs Computing kpt #: 165 total cpu time spent up to now is 98.2 secs Computing kpt #: 166 total cpu time spent up to now is 98.6 secs Computing kpt #: 167 total cpu time spent up to now is 99.0 secs Computing kpt #: 168 total cpu time spent up to now is 99.3 secs Computing kpt #: 169 total cpu time spent up to now is 99.7 secs Computing kpt #: 170 total cpu time spent up to now is 100.1 secs Computing kpt #: 171 total cpu time spent up to now is 100.5 secs Computing kpt #: 172 total cpu time spent up to now is 101.1 secs Computing kpt #: 173 total cpu time spent up to now is 101.5 secs Computing kpt #: 174 total cpu time spent up to now is 101.9 secs Computing kpt #: 175 total cpu time spent up to now is 102.4 secs Computing kpt #: 176 total cpu time spent up to now is 102.9 secs Computing kpt #: 177 total cpu time spent up to now is 103.5 secs Computing kpt #: 178 total cpu time spent up to now is 104.0 secs Computing kpt #: 179 total cpu time spent up to now is 104.6 secs Computing kpt #: 180 total cpu time spent up to now is 105.3 secs Computing kpt #: 181 total cpu time spent up to now is 105.9 secs Computing kpt #: 182 total cpu time spent up to now is 106.7 secs Computing kpt #: 183 total cpu time spent up to now is 107.5 secs Computing kpt #: 184 total cpu time spent up to now is 108.4 secs Computing kpt #: 185 total cpu time spent up to now is 109.2 secs Computing kpt #: 186 total cpu time spent up to now is 109.9 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.0 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.0 secs Computing kpt #: 189 total cpu time spent up to now is 112.6 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.6 secs Computing kpt #: 191 total cpu time spent up to now is 114.6 secs Computing kpt #: 192 total cpu time spent up to now is 115.2 secs Computing kpt #: 193 total cpu time spent up to now is 115.7 secs Computing kpt #: 194 total cpu time spent up to now is 116.5 secs Computing kpt #: 195 total cpu time spent up to now is 117.1 secs Computing kpt #: 196 total cpu time spent up to now is 117.7 secs Computing kpt #: 197 total cpu time spent up to now is 118.2 secs Computing kpt #: 198 total cpu time spent up to now is 118.8 secs Computing kpt #: 199 total cpu time spent up to now is 119.3 secs Computing kpt #: 200 total cpu time spent up to now is 119.9 secs Computing kpt #: 201 total cpu time spent up to now is 120.4 secs Computing kpt #: 202 total cpu time spent up to now is 121.0 secs Computing kpt #: 203 total cpu time spent up to now is 121.5 secs Computing kpt #: 204 total cpu time spent up to now is 122.0 secs Computing kpt #: 205 total cpu time spent up to now is 122.6 secs Computing kpt #: 206 total cpu time spent up to now is 123.1 secs Computing kpt #: 207 total cpu time spent up to now is 123.6 secs Computing kpt #: 208 total cpu time spent up to now is 124.1 secs Computing kpt #: 209 total cpu time spent up to now is 124.7 secs Computing kpt #: 210 total cpu time spent up to now is 125.2 secs Computing kpt #: 211 total cpu time spent up to now is 125.9 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.0 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.0 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.0 secs Computing kpt #: 215 total cpu time spent up to now is 129.9 secs Computing kpt #: 216 total cpu time spent up to now is 130.6 secs Computing kpt #: 217 total cpu time spent up to now is 131.1 secs Computing kpt #: 218 total cpu time spent up to now is 131.6 secs Computing kpt #: 219 total cpu time spent up to now is 132.1 secs Computing kpt #: 220 total cpu time spent up to now is 132.6 secs Computing kpt #: 221 total cpu time spent up to now is 133.1 secs Computing kpt #: 222 total cpu time spent up to now is 133.7 secs Computing kpt #: 223 total cpu time spent up to now is 134.2 secs Computing kpt #: 224 total cpu time spent up to now is 134.8 secs Computing kpt #: 225 total cpu time spent up to now is 135.4 secs Computing kpt #: 226 total cpu time spent up to now is 136.0 secs Computing kpt #: 227 total cpu time spent up to now is 136.6 secs Computing kpt #: 228 total cpu time spent up to now is 137.2 secs Computing kpt #: 229 total cpu time spent up to now is 137.7 secs Computing kpt #: 230 total cpu time spent up to now is 138.3 secs Computing kpt #: 231 total cpu time spent up to now is 138.8 secs Computing kpt #: 232 total cpu time spent up to now is 139.2 secs Computing kpt #: 233 total cpu time spent up to now is 139.7 secs Computing kpt #: 234 total cpu time spent up to now is 140.1 secs Computing kpt #: 235 total cpu time spent up to now is 140.6 secs Computing kpt #: 236 total cpu time spent up to now is 141.0 secs Computing kpt #: 237 total cpu time spent up to now is 141.4 secs Computing kpt #: 238 total cpu time spent up to now is 141.8 secs Computing kpt #: 239 total cpu time spent up to now is 142.2 secs Computing kpt #: 240 total cpu time spent up to now is 142.6 secs Computing kpt #: 241 total cpu time spent up to now is 143.0 secs Computing kpt #: 242 total cpu time spent up to now is 143.4 secs Computing kpt #: 243 total cpu time spent up to now is 143.7 secs Computing kpt #: 244 total cpu time spent up to now is 144.1 secs Computing kpt #: 245 total cpu time spent up to now is 144.5 secs Computing kpt #: 246 total cpu time spent up to now is 145.0 secs Computing kpt #: 247 total cpu time spent up to now is 145.4 secs Computing kpt #: 248 total cpu time spent up to now is 145.8 secs Computing kpt #: 249 total cpu time spent up to now is 146.3 secs Computing kpt #: 250 total cpu time spent up to now is 147.2 secs Computing kpt #: 251 total cpu time spent up to now is 147.9 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.9 secs Computing kpt #: 253 total cpu time spent up to now is 149.9 secs Computing kpt #: 254 total cpu time spent up to now is 150.7 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.7 secs Computing kpt #: 256 total cpu time spent up to now is 152.5 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.5 secs Computing kpt #: 258 total cpu time spent up to now is 154.4 secs Computing kpt #: 259 total cpu time spent up to now is 155.1 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 156.1 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.1 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 158.1 secs Computing kpt #: 263 total cpu time spent up to now is 158.9 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.9 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.9 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.9 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.9 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.9 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 164.9 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.9 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.9 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.9 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.9 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.0 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 171.0 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 172.0 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 173.1 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.0 secs Computing kpt #: 279 total cpu time spent up to now is 174.6 secs Computing kpt #: 280 total cpu time spent up to now is 175.2 secs Computing kpt #: 281 total cpu time spent up to now is 175.7 secs Computing kpt #: 282 total cpu time spent up to now is 176.2 secs Computing kpt #: 283 total cpu time spent up to now is 176.8 secs Computing kpt #: 284 total cpu time spent up to now is 177.3 secs Computing kpt #: 285 total cpu time spent up to now is 177.8 secs Computing kpt #: 286 total cpu time spent up to now is 178.3 secs Computing kpt #: 287 total cpu time spent up to now is 178.8 secs Computing kpt #: 288 total cpu time spent up to now is 179.3 secs Computing kpt #: 289 total cpu time spent up to now is 179.8 secs Computing kpt #: 290 total cpu time spent up to now is 180.3 secs Computing kpt #: 291 total cpu time spent up to now is 180.8 secs Computing kpt #: 292 total cpu time spent up to now is 181.3 secs Computing kpt #: 293 total cpu time spent up to now is 181.8 secs Computing kpt #: 294 total cpu time spent up to now is 182.3 secs Computing kpt #: 295 total cpu time spent up to now is 182.8 secs Computing kpt #: 296 total cpu time spent up to now is 183.3 secs Computing kpt #: 297 total cpu time spent up to now is 183.8 secs Computing kpt #: 298 total cpu time spent up to now is 184.4 secs Computing kpt #: 299 total cpu time spent up to now is 184.9 secs Computing kpt #: 300 total cpu time spent up to now is 185.4 secs Computing kpt #: 301 total cpu time spent up to now is 185.9 secs Computing kpt #: 302 total cpu time spent up to now is 186.4 secs Computing kpt #: 303 total cpu time spent up to now is 186.9 secs Computing kpt #: 304 total cpu time spent up to now is 187.5 secs Computing kpt #: 305 total cpu time spent up to now is 188.1 secs Computing kpt #: 306 total cpu time spent up to now is 189.0 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 190.0 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.0 secs Computing kpt #: 309 total cpu time spent up to now is 191.8 secs Computing kpt #: 310 total cpu time spent up to now is 192.4 secs Computing kpt #: 311 total cpu time spent up to now is 193.1 secs Computing kpt #: 312 total cpu time spent up to now is 193.8 secs Computing kpt #: 313 total cpu time spent up to now is 194.5 secs Computing kpt #: 314 total cpu time spent up to now is 195.2 secs Computing kpt #: 315 total cpu time spent up to now is 195.8 secs Computing kpt #: 316 total cpu time spent up to now is 196.5 secs Computing kpt #: 317 total cpu time spent up to now is 197.5 secs Computing kpt #: 318 total cpu time spent up to now is 198.0 secs Computing kpt #: 319 total cpu time spent up to now is 198.6 secs Computing kpt #: 320 total cpu time spent up to now is 199.2 secs Computing kpt #: 321 total cpu time spent up to now is 199.8 secs Computing kpt #: 322 total cpu time spent up to now is 200.3 secs Computing kpt #: 323 total cpu time spent up to now is 200.9 secs Computing kpt #: 324 total cpu time spent up to now is 201.5 secs Computing kpt #: 325 total cpu time spent up to now is 202.0 secs Computing kpt #: 326 total cpu time spent up to now is 202.7 secs Computing kpt #: 327 total cpu time spent up to now is 203.4 secs Computing kpt #: 328 total cpu time spent up to now is 204.2 secs Computing kpt #: 329 total cpu time spent up to now is 205.1 secs Computing kpt #: 330 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 206.1 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.1 secs Computing kpt #: 332 total cpu time spent up to now is 207.9 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.9 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 209.9 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.0 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.0 secs Computing kpt #: 337 total cpu time spent up to now is 212.9 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.0 secs Computing kpt #: 339 total cpu time spent up to now is 214.9 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.0 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.0 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.0 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.1 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.1 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.1 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 222.2 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.2 secs ethr = 2.94E-08, avg # of iterations = 58.0 total cpu time spent up to now is 223.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2655 PWs) bands (ev): -30.6713 -30.6713 -11.9091 -11.9091 -11.5514 -11.5514 -11.5011 -11.5011 2.0541 2.0541 2.4087 2.4087 2.5671 2.5671 2.5991 2.5991 2.7724 2.7724 3.9924 3.9924 4.2674 4.2674 4.3185 4.3185 4.3961 4.3961 4.4181 4.4181 4.8887 4.8887 10.7135 10.7135 11.2713 11.2713 11.4796 11.4796 12.2518 12.2518 14.8473 14.8473 14.8519 14.8535 k = 0.0132 0.0076-0.0000 ( 2639 PWs) bands (ev): -30.6713 -30.6713 -11.9090 -11.9090 -11.5514 -11.5514 -11.5011 -11.5011 2.0550 2.0550 2.4083 2.4083 2.5671 2.5671 2.5985 2.5985 2.7733 2.7733 3.9921 3.9921 4.2678 4.2678 4.3187 4.3187 4.3970 4.3970 4.4179 4.4179 4.8888 4.8888 10.6968 10.6968 11.2222 11.2222 11.5451 11.5451 12.2512 12.2512 14.8059 14.8059 14.8628 14.8628 k = 0.0263 0.0152-0.0000 ( 2631 PWs) bands (ev): -30.6713 -30.6713 -11.9090 -11.9090 -11.5514 -11.5514 -11.5011 -11.5011 2.0575 2.0575 2.4073 2.4073 2.5670 2.5670 2.5969 2.5969 2.7762 2.7762 3.9912 3.9912 4.2690 4.2690 4.3193 4.3193 4.3996 4.3996 4.4172 4.4172 4.8891 4.8891 10.6459 10.6459 11.1463 11.1463 11.6704 11.6704 12.2493 12.2493 14.7542 14.7542 14.8640 14.8640 k = 0.0395 0.0228-0.0000 ( 2629 PWs) bands (ev): -30.6713 -30.6713 -11.9091 -11.9091 -11.5514 -11.5514 -11.5011 -11.5011 2.0616 2.0616 2.4056 2.4056 2.5670 2.5670 2.5942 2.5942 2.7809 2.7809 3.9896 3.9896 4.2709 4.2709 4.3203 4.3203 4.4039 4.4039 4.4163 4.4163 4.8897 4.8897 10.5623 10.5623 11.0855 11.0855 11.8122 11.8122 12.2463 12.2463 14.6992 14.6992 14.8646 14.8646 k = 0.0526 0.0304-0.0000 ( 2625 PWs) bands (ev): -30.6713 -30.6713 -11.9091 -11.9091 -11.5515 -11.5515 -11.5011 -11.5011 2.0673 2.0673 2.4033 2.4033 2.5669 2.5669 2.5905 2.5905 2.7874 2.7874 3.9875 3.9875 4.2736 4.2736 4.3215 4.3215 4.4099 4.4099 4.4150 4.4150 4.8905 4.8905 10.4526 10.4526 11.0425 11.0425 11.9601 11.9601 12.2429 12.2429 14.6427 14.6427 14.8653 14.8653 k = 0.0658 0.0380-0.0000 ( 2621 PWs) bands (ev): -30.6712 -30.6712 -11.9092 -11.9092 -11.5517 -11.5517 -11.5011 -11.5011 2.0744 2.0744 2.4003 2.4003 2.5667 2.5667 2.5861 2.5861 2.7958 2.7958 3.9850 3.9850 4.2769 4.2769 4.3231 4.3231 4.4132 4.4132 4.4178 4.4178 4.8914 4.8914 10.3260 10.3260 11.0114 11.0114 12.1067 12.1067 12.2434 12.2434 14.5856 14.5856 14.8659 14.8659 k = 0.0789 0.0456-0.0000 ( 2621 PWs) bands (ev): -30.6712 -30.6712 -11.9093 -11.9093 -11.5518 -11.5518 -11.5012 -11.5012 2.0829 2.0829 2.3967 2.3967 2.5665 2.5665 2.5810 2.5810 2.8061 2.8061 3.9821 3.9821 4.2809 4.2809 4.3248 4.3248 4.4117 4.4117 4.4268 4.4268 4.8926 4.8926 10.1891 10.1891 10.9869 10.9869 12.1989 12.1989 12.2989 12.2989 14.5287 14.5287 14.8661 14.8661 k = 0.0921 0.0532-0.0000 ( 2623 PWs) bands (ev): -30.6712 -30.6712 -11.9094 -11.9094 -11.5520 -11.5520 -11.5012 -11.5012 2.0924 2.0924 2.3926 2.3926 2.5659 2.5659 2.5755 2.5755 2.8182 2.8182 3.9790 3.9790 4.2854 4.2854 4.3265 4.3265 4.4103 4.4103 4.4372 4.4372 4.8940 4.8940 10.0462 10.0462 10.9655 10.9655 12.2025 12.2025 12.4425 12.4425 14.4726 14.4726 14.8557 14.8557 k = 0.1053 0.0608-0.0000 ( 2627 PWs) bands (ev): -30.6712 -30.6712 -11.9096 -11.9096 -11.5522 -11.5522 -11.5013 -11.5013 2.1030 2.1030 2.3879 2.3879 2.5643 2.5643 2.5706 2.5706 2.8322 2.8322 3.9756 3.9756 4.2904 4.2904 4.3281 4.3281 4.4091 4.4091 4.4491 4.4491 4.8955 4.8955 9.8998 9.8998 10.9453 10.9453 12.1928 12.1928 12.5977 12.5977 14.4178 14.4178 14.7958 14.7958 k = 0.1184 0.0684-0.0000 ( 2629 PWs) bands (ev): -30.6712 -30.6712 -11.9097 -11.9097 -11.5525 -11.5525 -11.5014 -11.5014 2.1143 2.1143 2.3826 2.3826 2.5598 2.5598 2.5682 2.5682 2.8482 2.8482 3.9722 3.9722 4.2957 4.2957 4.3293 4.3293 4.4086 4.4086 4.4621 4.4621 4.8972 4.8972 9.7512 9.7512 10.9254 10.9254 12.1794 12.1794 12.7540 12.7540 14.3650 14.3650 14.7279 14.7279 k = 0.1316 0.0760-0.0000 ( 2629 PWs) bands (ev): -30.6712 -30.6712 -11.9099 -11.9099 -11.5528 -11.5528 -11.5014 -11.5014 2.1261 2.1261 2.3769 2.3769 2.5533 2.5533 2.5675 2.5675 2.8663 2.8663 3.9688 3.9688 4.3013 4.3013 4.3300 4.3300 4.4091 4.4091 4.4763 4.4763 4.8991 4.8991 9.6013 9.6013 10.9051 10.9051 12.1633 12.1633 12.9092 12.9092 14.3148 14.3148 14.6600 14.6600 k = 0.1447 0.0836-0.0000 ( 2627 PWs) bands (ev): -30.6712 -30.6712 -11.9100 -11.9100 -11.5530 -11.5530 -11.5015 -11.5015 2.1382 2.1382 2.3708 2.3708 2.5463 2.5463 2.5671 2.5671 2.8865 2.8865 3.9656 3.9656 4.3068 4.3068 4.3300 4.3300 4.4108 4.4108 4.4916 4.4916 4.9012 4.9012 9.4506 9.4506 10.8841 10.8841 12.1448 12.1448 13.0613 13.0613 14.2682 14.2682 14.5955 14.5955 k = 0.1579 0.0912-0.0000 ( 2625 PWs) bands (ev): -30.6712 -30.6712 -11.9102 -11.9102 -11.5533 -11.5533 -11.5016 -11.5016 2.1503 2.1503 2.3642 2.3642 2.5392 2.5392 2.5668 2.5668 2.9088 2.9088 3.9626 3.9626 4.3119 4.3119 4.3297 4.3297 4.4141 4.4141 4.5077 4.5077 4.9034 4.9034 9.2995 9.2995 10.8622 10.8622 12.1240 12.1240 13.2079 13.2079 14.2268 14.2268 14.5366 14.5366 k = 0.1711 0.0988-0.0000 ( 2625 PWs) bands (ev): -30.6711 -30.6711 -11.9104 -11.9104 -11.5537 -11.5537 -11.5017 -11.5017 2.1622 2.1622 2.3573 2.3573 2.5322 2.5322 2.5666 2.5666 2.9334 2.9334 3.9599 3.9599 4.3151 4.3151 4.3301 4.3301 4.4190 4.4190 4.5248 4.5248 4.9059 4.9059 9.1482 9.1482 10.8394 10.8394 12.1010 12.1010 13.3453 13.3453 14.1930 14.1930 14.4853 14.4853 k = 0.1842 0.1064-0.0000 ( 2625 PWs) bands (ev): -30.6711 -30.6711 -11.9106 -11.9106 -11.5540 -11.5540 -11.5017 -11.5017 2.1736 2.1736 2.3501 2.3501 2.5254 2.5254 2.5664 2.5664 2.9602 2.9602 3.9575 3.9575 4.3151 4.3151 4.3329 4.3329 4.4256 4.4256 4.5425 4.5425 4.9085 4.9085 8.9969 8.9969 10.8157 10.8157 12.0758 12.0758 13.4677 13.4677 14.1696 14.1696 14.4447 14.4447 k = 0.1974 0.1140-0.0000 ( 2625 PWs) bands (ev): -30.6711 -30.6711 -11.9108 -11.9108 -11.5543 -11.5543 -11.5018 -11.5018 2.1842 2.1842 2.3425 2.3425 2.5190 2.5190 2.5662 2.5662 2.9892 2.9892 3.9557 3.9557 4.3121 4.3121 4.3375 4.3375 4.4339 4.4339 4.5609 4.5609 4.9114 4.9114 8.8458 8.8458 10.7911 10.7911 12.0486 12.0486 13.5672 13.5672 14.1593 14.1593 14.4200 14.4200 k = 0.2105 0.1215-0.0000 ( 2633 PWs) bands (ev): -30.6711 -30.6711 -11.9111 -11.9111 -11.5547 -11.5547 -11.5019 -11.5019 2.1939 2.1939 2.3347 2.3347 2.5132 2.5132 2.5660 2.5660 3.0204 3.0204 3.9544 3.9544 4.3075 4.3075 4.3428 4.3428 4.4438 4.4438 4.5799 4.5799 4.9145 4.9145 8.6950 8.6950 10.7657 10.7657 12.0196 12.0196 13.6361 13.6361 14.1589 14.1589 14.4215 14.4215 k = 0.2237 0.1291-0.0000 ( 2625 PWs) bands (ev): -30.6711 -30.6711 -11.9112 -11.9112 -11.5550 -11.5550 -11.5020 -11.5020 2.2025 2.2025 2.3267 2.3267 2.5080 2.5080 2.5658 2.5658 3.0536 3.0536 3.9537 3.9537 4.3019 4.3019 4.3482 4.3482 4.4554 4.4554 4.5994 4.5994 4.9179 4.9179 8.5445 8.5445 10.7396 10.7396 11.9891 11.9891 13.6730 13.6730 14.1578 14.1578 14.4596 14.4596 k = 0.2368 0.1367-0.0000 ( 2621 PWs) bands (ev): -30.6710 -30.6710 -11.9115 -11.9115 -11.5554 -11.5554 -11.5021 -11.5021 2.2098 2.2098 2.3184 2.3184 2.5037 2.5037 2.5656 2.5656 3.0885 3.0885 3.9537 3.9537 4.2958 4.2958 4.3535 4.3535 4.4687 4.4687 4.6192 4.6192 4.9217 4.9217 8.3946 8.3946 10.7130 10.7130 11.9571 11.9571 13.6848 13.6848 14.1480 14.1480 14.4547 14.4547 k = 0.2500 0.1443-0.0000 ( 2621 PWs) bands (ev): -30.6710 -30.6710 -11.9117 -11.9117 -11.5558 -11.5558 -11.5022 -11.5022 2.2158 2.2158 2.3100 2.3100 2.5002 2.5002 2.5654 2.5654 3.1251 3.1251 3.9545 3.9545 4.2892 4.2892 4.3586 4.3586 4.4835 4.4835 4.6394 4.6394 4.9259 4.9259 8.2454 8.2454 10.6860 10.6860 11.9242 11.9242 13.6812 13.6812 14.1316 14.1316 14.4124 14.4124 k = 0.2632 0.1519-0.0000 ( 2625 PWs) bands (ev): -30.6710 -30.6710 -11.9119 -11.9119 -11.5561 -11.5561 -11.5023 -11.5023 2.2205 2.2205 2.3015 2.3015 2.4976 2.4976 2.5652 2.5652 3.1628 3.1628 3.9560 3.9560 4.2823 4.2823 4.3633 4.3633 4.5000 4.5000 4.6598 4.6598 4.9306 4.9306 8.0969 8.0969 10.6588 10.6588 11.8904 11.8904 13.6696 13.6696 14.1125 14.1125 14.3719 14.3719 k = 0.2763 0.1595-0.0000 ( 2627 PWs) bands (ev): -30.6710 -30.6710 -11.9121 -11.9121 -11.5565 -11.5565 -11.5024 -11.5024 2.2238 2.2238 2.2929 2.2929 2.4958 2.4958 2.5650 2.5650 3.2013 3.2013 3.9585 3.9585 4.2753 4.2753 4.3676 4.3676 4.5182 4.5182 4.6806 4.6806 4.9359 4.9359 7.9492 7.9492 10.6316 10.6316 11.8564 11.8564 13.6543 13.6543 14.0930 14.0930 14.3339 14.3339 k = 0.2895 0.1671-0.0000 ( 2629 PWs) bands (ev): -30.6710 -30.6710 -11.9124 -11.9124 -11.5569 -11.5569 -11.5025 -11.5025 2.2259 2.2259 2.2844 2.2844 2.4950 2.4950 2.5647 2.5647 3.2402 3.2402 3.9618 3.9618 4.2682 4.2682 4.3716 4.3716 4.5379 4.5379 4.7016 4.7016 4.9420 4.9420 7.8025 7.8025 10.6044 10.6044 11.8223 11.8223 13.6379 13.6379 14.0742 14.0742 14.2984 14.2984 k = 0.3026 0.1747-0.0000 ( 2627 PWs) bands (ev): -30.6709 -30.6709 -11.9126 -11.9126 -11.5572 -11.5572 -11.5026 -11.5026 2.2268 2.2268 2.2761 2.2761 2.4948 2.4948 2.5645 2.5645 3.2789 3.2789 3.9661 3.9661 4.2610 4.2610 4.3752 4.3752 4.5590 4.5590 4.7231 4.7231 4.9492 4.9492 7.6570 7.6570 10.5777 10.5777 11.7886 11.7886 13.6216 13.6216 14.0568 14.0568 14.2656 14.2656 k = 0.3158 0.1823-0.0000 ( 2627 PWs) bands (ev): -30.6709 -30.6709 -11.9128 -11.9128 -11.5576 -11.5576 -11.5026 -11.5026 2.2265 2.2265 2.2681 2.2681 2.4954 2.4954 2.5642 2.5642 3.3170 3.3170 3.9714 3.9714 4.2539 4.2539 4.3784 4.3784 4.5813 4.5813 4.7451 4.7451 4.9576 4.9576 7.5127 7.5127 10.5514 10.5514 11.7555 11.7555 13.6062 13.6062 14.0407 14.0407 14.2354 14.2354 k = 0.3289 0.1899-0.0000 ( 2623 PWs) bands (ev): -30.6709 -30.6709 -11.9130 -11.9130 -11.5579 -11.5579 -11.5027 -11.5027 2.2252 2.2252 2.2606 2.2606 2.4964 2.4964 2.5639 2.5639 3.3539 3.3539 3.9776 3.9776 4.2469 4.2469 4.3813 4.3813 4.6043 4.6043 4.7680 4.7680 4.9680 4.9680 7.3699 7.3699 10.5259 10.5259 11.7234 11.7234 13.5920 13.5920 14.0262 14.0262 14.2079 14.2079 k = 0.3421 0.1975-0.0000 ( 2627 PWs) bands (ev): -30.6709 -30.6709 -11.9132 -11.9132 -11.5582 -11.5582 -11.5028 -11.5028 2.2229 2.2229 2.2538 2.2538 2.4978 2.4978 2.5636 2.5636 3.3890 3.3890 3.9846 3.9846 4.2400 4.2400 4.3838 4.3838 4.6274 4.6274 4.7917 4.7917 4.9809 4.9809 7.2286 7.2286 10.5013 10.5013 11.6926 11.6926 13.5792 13.5792 14.0129 14.0129 14.1831 14.1831 k = 0.3553 0.2051-0.0000 ( 2637 PWs) bands (ev): -30.6709 -30.6709 -11.9134 -11.9134 -11.5586 -11.5586 -11.5029 -11.5029 2.2196 2.2196 2.2479 2.2479 2.4996 2.4996 2.5633 2.5633 3.4219 3.4219 3.9924 3.9924 4.2333 4.2333 4.3860 4.3860 4.6498 4.6498 4.8163 4.8163 4.9975 4.9975 7.0890 7.0890 10.4779 10.4779 11.6633 11.6633 13.5678 13.5678 14.0009 14.0009 14.1608 14.1608 k = 0.3684 0.2127-0.0000 ( 2634 PWs) bands (ev): -30.6709 -30.6709 -11.9136 -11.9136 -11.5588 -11.5588 -11.5030 -11.5030 2.2155 2.2155 2.2429 2.2429 2.5015 2.5015 2.5630 2.5630 3.4523 3.4523 4.0008 4.0008 4.2269 4.2269 4.3879 4.3879 4.6707 4.6707 4.8409 4.8409 5.0195 5.0195 6.9514 6.9514 10.4557 10.4557 11.6359 11.6359 13.5578 13.5578 13.9901 13.9901 14.1413 14.1413 k = 0.3816 0.2203-0.0000 ( 2630 PWs) bands (ev): -30.6708 -30.6708 -11.9137 -11.9137 -11.5591 -11.5591 -11.5030 -11.5030 2.2109 2.2109 2.2388 2.2388 2.5035 2.5035 2.5627 2.5627 3.4797 3.4797 4.0096 4.0096 4.2207 4.2207 4.3895 4.3895 4.6894 4.6894 4.8644 4.8644 5.0491 5.0491 6.8159 6.8159 10.4351 10.4351 11.6105 11.6105 13.5491 13.5491 13.9804 13.9804 14.1242 14.1242 k = 0.3947 0.2279-0.0000 ( 2626 PWs) bands (ev): -30.6708 -30.6708 -11.9138 -11.9138 -11.5593 -11.5593 -11.5031 -11.5031 2.2060 2.2060 2.2354 2.2354 2.5055 2.5055 2.5623 2.5623 3.5041 3.5041 4.0186 4.0186 4.2148 4.2148 4.3909 4.3909 4.7055 4.7055 4.8852 4.8852 5.0880 5.0880 6.6827 6.6827 10.4161 10.4161 11.5872 11.5872 13.5416 13.5416 13.9717 13.9717 14.1096 14.1096 k = 0.4079 0.2355-0.0000 ( 2624 PWs) bands (ev): -30.6708 -30.6708 -11.9140 -11.9140 -11.5595 -11.5595 -11.5031 -11.5031 2.2012 2.2012 2.2325 2.2325 2.5074 2.5074 2.5620 2.5620 3.5253 3.5253 4.0275 4.0275 4.2093 4.2093 4.3920 4.3920 4.7192 4.7192 4.9025 4.9025 5.1370 5.1370 6.5520 6.5520 10.3989 10.3989 11.5664 11.5664 13.5353 13.5353 13.9639 13.9639 14.0972 14.0972 k = 0.4211 0.2431-0.0000 ( 2628 PWs) bands (ev): -30.6708 -30.6708 -11.9141 -11.9141 -11.5597 -11.5597 -11.5032 -11.5032 2.1967 2.1967 2.2302 2.2302 2.5092 2.5092 2.5617 2.5617 3.5434 3.5434 4.0360 4.0360 4.2042 4.2042 4.3929 4.3929 4.7304 4.7304 4.9164 4.9164 5.1960 5.1960 6.4242 6.4242 10.3838 10.3838 11.5481 11.5481 13.5299 13.5299 13.9571 13.9571 14.0869 14.0869 k = 0.4342 0.2507-0.0000 ( 2636 PWs) bands (ev): -30.6708 -30.6708 -11.9142 -11.9142 -11.5599 -11.5599 -11.5032 -11.5032 2.1926 2.1926 2.2282 2.2282 2.5108 2.5108 2.5614 2.5614 3.5584 3.5584 4.0438 4.0438 4.1997 4.1997 4.3937 4.3937 4.7394 4.7394 4.9272 4.9272 5.2638 5.2638 6.2996 6.2996 10.3707 10.3707 11.5324 11.5324 13.5256 13.5256 13.9512 13.9512 14.0786 14.0786 k = 0.4474 0.2583-0.0000 ( 2636 PWs) bands (ev): -30.6708 -30.6708 -11.9143 -11.9143 -11.5600 -11.5600 -11.5033 -11.5033 2.1892 2.1892 2.2266 2.2266 2.5122 2.5122 2.5612 2.5612 3.5705 3.5705 4.0507 4.0507 4.1957 4.1957 4.3942 4.3942 4.7464 4.7464 4.9356 4.9356 5.3393 5.3393 6.1786 6.1786 10.3598 10.3598 11.5194 11.5194 13.5221 13.5221 13.9463 13.9463 14.0721 14.0721 k = 0.4605 0.2659-0.0000 ( 2640 PWs) bands (ev): -30.6708 -30.6708 -11.9144 -11.9144 -11.5602 -11.5602 -11.5033 -11.5033 2.1864 2.1864 2.2254 2.2254 2.5133 2.5133 2.5610 2.5610 3.5797 3.5797 4.0564 4.0564 4.1924 4.1924 4.3946 4.3946 4.7516 4.7516 4.9418 4.9418 5.4211 5.4211 6.0619 6.0619 10.3513 10.3513 11.5092 11.5092 13.5195 13.5195 13.9424 13.9424 14.0672 14.0672 k = 0.4737 0.2735-0.0000 ( 2644 PWs) bands (ev): -30.6708 -30.6708 -11.9144 -11.9144 -11.5603 -11.5603 -11.5033 -11.5033 2.1844 2.1844 2.2245 2.2245 2.5142 2.5142 2.5608 2.5608 3.5861 3.5861 4.0607 4.0607 4.1900 4.1900 4.3949 4.3949 4.7553 4.7553 4.9461 4.9461 5.5074 5.5074 5.9511 5.9511 10.3451 10.3451 11.5019 11.5019 13.5176 13.5176 13.9396 13.9396 14.0638 14.0638 k = 0.4868 0.2811-0.0000 ( 2644 PWs) bands (ev): -30.6708 -30.6708 -11.9145 -11.9145 -11.5603 -11.5603 -11.5033 -11.5033 2.1832 2.1832 2.2240 2.2240 2.5147 2.5147 2.5607 2.5607 3.5900 3.5900 4.0633 4.0633 4.1885 4.1885 4.3951 4.3951 4.7574 4.7574 4.9486 4.9486 5.5924 5.5924 5.8515 5.8515 10.3414 10.3414 11.4975 11.4975 13.5165 13.5165 13.9378 13.9378 14.0618 14.0618 k = 0.5000 0.2887-0.0000 ( 2644 PWs) bands (ev): -30.6708 -30.6708 -11.9145 -11.9145 -11.5603 -11.5603 -11.5033 -11.5033 2.1828 2.1828 2.2238 2.2238 2.5148 2.5148 2.5607 2.5607 3.5912 3.5912 4.0642 4.0642 4.1880 4.1880 4.3951 4.3951 4.7581 4.7581 4.9494 4.9494 5.6426 5.6426 5.7964 5.7964 10.3401 10.3401 11.4960 11.4960 13.5162 13.5162 13.9373 13.9373 14.0612 14.0612 k = 0.5000 0.2887-0.0000 ( 2644 PWs) bands (ev): -30.6708 -30.6708 -11.9145 -11.9145 -11.5603 -11.5603 -11.5033 -11.5033 2.1828 2.1828 2.2238 2.2238 2.5148 2.5148 2.5607 2.5607 3.5912 3.5912 4.0642 4.0642 4.1880 4.1880 4.3951 4.3951 4.7581 4.7581 4.9494 4.9494 5.6426 5.6426 5.7964 5.7964 10.3401 10.3401 11.4960 11.4960 13.5162 13.5162 13.9373 13.9373 14.0612 14.0612 k = 0.4924 0.3018-0.0000 ( 2636 PWs) bands (ev): -30.6708 -30.6708 -11.9145 -11.9145 -11.5603 -11.5603 -11.5033 -11.5033 2.1821 2.1821 2.2241 2.2241 2.5149 2.5149 2.5607 2.5607 3.5912 3.5912 4.0645 4.0645 4.1879 4.1879 4.3951 4.3951 4.7583 4.7583 4.9505 4.9505 5.6442 5.6442 5.7964 5.7964 10.3144 10.3144 11.5201 11.5201 13.5168 13.5168 13.9375 13.9375 14.0617 14.0617 k = 0.4848 0.3149-0.0000 ( 2632 PWs) bands (ev): -30.6708 -30.6708 -11.9144 -11.9144 -11.5603 -11.5603 -11.5033 -11.5033 2.1803 2.1803 2.2248 2.2248 2.5153 2.5153 2.5607 2.5607 3.5912 3.5912 4.0655 4.0655 4.1878 4.1878 4.3948 4.3948 4.7587 4.7587 4.9536 4.9536 5.6488 5.6488 5.7965 5.7965 10.2432 10.2432 11.5863 11.5863 13.5188 13.5188 13.9379 13.9379 14.0632 14.0632 k = 0.4773 0.3280-0.0000 ( 2636 PWs) bands (ev): -30.6708 -30.6708 -11.9145 -11.9145 -11.5603 -11.5603 -11.5033 -11.5033 2.1775 2.1775 2.2258 2.2258 2.5158 2.5158 2.5608 2.5608 3.5912 3.5912 4.0670 4.0670 4.1875 4.1875 4.3943 4.3943 4.7595 4.7595 4.9589 4.9589 5.6563 5.6563 5.7969 5.7969 10.1391 10.1391 11.6818 11.6818 13.5220 13.5220 13.9383 13.9383 14.0660 14.0660 k = 0.4697 0.3412-0.0000 ( 2634 PWs) bands (ev): -30.6708 -30.6708 -11.9145 -11.9145 -11.5603 -11.5603 -11.5033 -11.5033 2.1738 2.1738 2.2269 2.2269 2.5166 2.5166 2.5609 2.5609 3.5912 3.5912 4.0690 4.0690 4.1872 4.1872 4.3936 4.3936 4.7606 4.7606 4.9663 4.9663 5.6661 5.6661 5.7979 5.7979 10.0139 10.0139 11.7946 11.7946 13.5267 13.5267 13.9386 13.9386 14.0702 14.0702 k = 0.4621 0.3543-0.0000 ( 2642 PWs) bands (ev): -30.6708 -30.6708 -11.9145 -11.9145 -11.5604 -11.5604 -11.5034 -11.5034 2.1695 2.1695 2.2281 2.2281 2.5176 2.5176 2.5611 2.5611 3.5912 3.5912 4.0716 4.0716 4.1870 4.1870 4.3924 4.3924 4.7622 4.7622 4.9758 4.9758 5.6774 5.6774 5.8002 5.8002 9.8760 9.8760 11.9158 11.9158 13.5328 13.5328 13.9384 13.9384 14.0762 14.0762 k = 0.4545 0.3674-0.0000 ( 2640 PWs) bands (ev): -30.6708 -30.6708 -11.9145 -11.9145 -11.5604 -11.5604 -11.5034 -11.5034 2.1646 2.1646 2.2293 2.2293 2.5187 2.5187 2.5612 2.5612 3.5912 3.5912 4.0745 4.0745 4.1869 4.1869 4.3908 4.3908 4.7642 4.7642 4.9875 4.9875 5.6891 5.6891 5.8047 5.8047 9.7309 9.7309 12.0395 12.0395 13.5404 13.5404 13.9374 13.9374 14.0844 14.0844 k = 0.4470 0.3805-0.0000 ( 2640 PWs) bands (ev): -30.6708 -30.6708 -11.9146 -11.9146 -11.5605 -11.5605 -11.5034 -11.5034 2.1594 2.1594 2.2303 2.2303 2.5199 2.5199 2.5614 2.5614 3.5913 3.5913 4.0778 4.0778 4.1869 4.1869 4.3886 4.3886 4.7667 4.7667 5.0014 5.0014 5.6996 5.6996 5.8127 5.8127 9.5823 9.5823 12.1614 12.1614 13.5497 13.5497 13.9356 13.9356 14.0948 14.0948 k = 0.4394 0.3936-0.0000 ( 2636 PWs) bands (ev): -30.6708 -30.6708 -11.9146 -11.9146 -11.5605 -11.5605 -11.5034 -11.5034 2.1540 2.1540 2.2312 2.2312 2.5213 2.5213 2.5615 2.5615 3.5915 3.5915 4.0812 4.0812 4.1873 4.1873 4.3859 4.3859 4.7696 4.7696 5.0174 5.0174 5.7075 5.7075 5.8253 5.8253 9.4326 9.4326 12.2787 12.2787 13.5606 13.5606 13.9328 13.9328 14.1075 14.1075 k = 0.4318 0.4068-0.0000 ( 2640 PWs) bands (ev): -30.6708 -30.6708 -11.9146 -11.9146 -11.5606 -11.5606 -11.5035 -11.5035 2.1484 2.1484 2.2320 2.2320 2.5228 2.5228 2.5617 2.5617 3.5918 3.5918 4.0848 4.0848 4.1879 4.1879 4.3824 4.3824 4.7728 4.7728 5.0356 5.0356 5.7122 5.7122 5.8428 5.8428 9.2838 9.2838 12.3891 12.3891 13.5731 13.5731 13.9291 13.9291 14.1226 14.1226 k = 0.4242 0.4199-0.0000 ( 2636 PWs) bands (ev): -30.6708 -30.6708 -11.9147 -11.9147 -11.5606 -11.5606 -11.5035 -11.5035 2.1427 2.1427 2.2326 2.2326 2.5243 2.5243 2.5618 2.5618 3.5922 3.5922 4.0884 4.0884 4.1890 4.1890 4.3784 4.3784 4.7763 4.7763 5.0560 5.0560 5.7139 5.7139 5.8644 5.8644 9.1374 9.1374 12.4908 12.4908 13.5871 13.5871 13.9248 13.9248 14.1400 14.1400 k = 0.4167 0.4330-0.0000 ( 2630 PWs) bands (ev): -30.6707 -30.6707 -11.9147 -11.9147 -11.5607 -11.5607 -11.5035 -11.5035 2.1372 2.1372 2.2330 2.2330 2.5258 2.5258 2.5620 2.5620 3.5927 3.5927 4.0919 4.0919 4.1907 4.1907 4.3736 4.3736 4.7800 4.7800 5.0784 5.0784 5.7136 5.7136 5.8887 5.8887 8.9949 8.9949 12.5828 12.5828 13.6025 13.6025 13.9200 13.9200 14.1594 14.1594 k = 0.4091 0.4461-0.0000 ( 2620 PWs) bands (ev): -30.6707 -30.6707 -11.9147 -11.9147 -11.5607 -11.5607 -11.5035 -11.5035 2.1317 2.1317 2.2334 2.2334 2.5274 2.5274 2.5621 2.5621 3.5933 3.5933 4.0952 4.0952 4.1928 4.1928 4.3684 4.3684 4.7838 4.7838 5.1027 5.1027 5.7121 5.7121 5.9144 5.9144 8.8575 8.8575 12.6643 12.6643 13.6189 13.6189 13.9150 13.9150 14.1806 14.1806 k = 0.4015 0.4593-0.0000 ( 2626 PWs) bands (ev): -30.6707 -30.6707 -11.9147 -11.9147 -11.5608 -11.5608 -11.5035 -11.5035 2.1265 2.1265 2.2336 2.2336 2.5289 2.5289 2.5622 2.5622 3.5939 3.5939 4.0982 4.0982 4.1955 4.1955 4.3626 4.3626 4.7875 4.7875 5.1285 5.1285 5.7103 5.7103 5.9400 5.9400 8.7265 8.7265 12.7349 12.7349 13.6355 13.6355 13.9101 13.9101 14.2035 14.2035 k = 0.3939 0.4724-0.0000 ( 2626 PWs) bands (ev): -30.6707 -30.6707 -11.9148 -11.9148 -11.5609 -11.5609 -11.5036 -11.5036 2.1215 2.1215 2.2337 2.2337 2.5303 2.5303 2.5622 2.5622 3.5947 3.5947 4.1010 4.1010 4.1987 4.1987 4.3566 4.3566 4.7911 4.7911 5.1553 5.1553 5.7089 5.7089 5.9641 5.9641 8.6035 8.6035 12.7949 12.7949 13.6519 13.6519 13.9056 13.9056 14.2279 14.2279 k = 0.3864 0.4855-0.0000 ( 2632 PWs) bands (ev): -30.6707 -30.6707 -11.9148 -11.9148 -11.5609 -11.5609 -11.5036 -11.5036 2.1169 2.1169 2.2337 2.2337 2.5317 2.5317 2.5622 2.5622 3.5956 3.5956 4.1034 4.1034 4.2023 4.2023 4.3503 4.3503 4.7944 4.7944 5.1826 5.1826 5.7086 5.7086 5.9854 5.9854 8.4900 8.4900 12.8449 12.8449 13.6672 13.6672 13.9018 13.9018 14.2536 14.2536 k = 0.3788 0.4986-0.0000 ( 2628 PWs) bands (ev): -30.6707 -30.6707 -11.9149 -11.9149 -11.5610 -11.5610 -11.5036 -11.5036 2.1128 2.1128 2.2336 2.2336 2.5330 2.5330 2.5622 2.5622 3.5965 3.5965 4.1054 4.1054 4.2062 4.2062 4.3440 4.3440 4.7975 4.7975 5.2094 5.2094 5.7104 5.7104 6.0024 6.0024 8.3874 8.3874 12.8855 12.8855 13.6807 13.6807 13.8989 13.8989 14.2803 14.2803 k = 0.3712 0.5117-0.0000 ( 2624 PWs) bands (ev): -30.6707 -30.6707 -11.9149 -11.9149 -11.5610 -11.5610 -11.5036 -11.5036 2.1092 2.1092 2.2335 2.2335 2.5341 2.5341 2.5622 2.5622 3.5974 3.5974 4.1072 4.1072 4.2102 4.2102 4.3379 4.3379 4.8002 4.8002 5.2348 5.2348 5.7152 5.7152 6.0137 6.0137 8.2976 8.2976 12.9177 12.9177 13.6919 13.6919 13.8970 13.8970 14.3080 14.3080 k = 0.3636 0.5249-0.0000 ( 2624 PWs) bands (ev): -30.6707 -30.6707 -11.9149 -11.9149 -11.5611 -11.5611 -11.5037 -11.5037 2.1061 2.1061 2.2334 2.2334 2.5351 2.5351 2.5622 2.5622 3.5983 3.5983 4.1087 4.1087 4.2140 4.2140 4.3323 4.3323 4.8025 4.8025 5.2574 5.2574 5.7236 5.7236 6.0183 6.0183 8.2221 8.2221 12.9424 12.9424 13.7005 13.7005 13.8960 13.8960 14.3364 14.3364 k = 0.3561 0.5380-0.0000 ( 2628 PWs) bands (ev): -30.6707 -30.6707 -11.9149 -11.9149 -11.5611 -11.5611 -11.5037 -11.5037 2.1036 2.1036 2.2333 2.2333 2.5359 2.5359 2.5621 2.5621 3.5992 3.5992 4.1098 4.1098 4.2175 4.2175 4.3274 4.3274 4.8043 4.8043 5.2761 5.2761 5.7363 5.7363 6.0156 6.0156 8.1624 8.1624 12.9605 12.9605 13.7064 13.7064 13.8957 13.8957 14.3654 14.3654 k = 0.3485 0.5511-0.0000 ( 2628 PWs) bands (ev): -30.6707 -30.6707 -11.9150 -11.9150 -11.5612 -11.5612 -11.5037 -11.5037 2.1018 2.1018 2.2332 2.2332 2.5365 2.5365 2.5621 2.5621 3.5998 3.5998 4.1107 4.1107 4.2202 4.2202 4.3236 4.3236 4.8057 4.8057 5.2898 5.2898 5.7522 5.7522 6.0066 6.0066 8.1194 8.1194 12.9726 12.9726 13.7101 13.7101 13.8960 13.8960 14.3947 14.3947 k = 0.3409 0.5642-0.0000 ( 2622 PWs) bands (ev): -30.6707 -30.6707 -11.9150 -11.9150 -11.5612 -11.5612 -11.5037 -11.5037 2.1007 2.1007 2.2332 2.2332 2.5369 2.5369 2.5621 2.5621 3.6003 3.6003 4.1112 4.1112 4.2219 4.2219 4.3212 4.3212 4.8066 4.8066 5.2980 5.2980 5.7681 5.7681 5.9946 5.9946 8.0938 8.0938 12.9796 12.9796 13.7119 13.7119 13.8963 13.8963 14.4241 14.4241 k = 0.3333 0.5774-0.0000 ( 2622 PWs) bands (ev): -30.6707 -30.6707 -11.9150 -11.9150 -11.5612 -11.5612 -11.5037 -11.5037 2.1003 2.1003 2.2331 2.2331 2.5370 2.5370 2.5620 2.5620 3.6005 3.6005 4.1114 4.1114 4.2225 4.2225 4.3204 4.3204 4.8068 4.8068 5.3007 5.3007 5.7760 5.7760 5.9879 5.9879 8.0854 8.0854 12.9818 12.9818 13.7124 13.7124 13.8965 13.8965 14.4495 14.4495 k = 0.3333 0.5774-0.0000 ( 2622 PWs) bands (ev): -30.6707 -30.6707 -11.9150 -11.9150 -11.5612 -11.5612 -11.5037 -11.5037 2.1003 2.1003 2.2331 2.2331 2.5370 2.5370 2.5620 2.5620 3.6005 3.6005 4.1114 4.1114 4.2225 4.2225 4.3204 4.3204 4.8068 4.8068 5.3007 5.3007 5.7760 5.7760 5.9879 5.9879 8.0854 8.0854 12.9818 12.9818 13.7124 13.7124 13.8965 13.8965 14.4495 14.4495 k = 0.3256 0.5639-0.0000 ( 2620 PWs) bands (ev): -30.6707 -30.6707 -11.9149 -11.9149 -11.5612 -11.5612 -11.5037 -11.5037 2.1007 2.1007 2.2332 2.2332 2.5368 2.5368 2.5621 2.5621 3.6003 3.6003 4.1112 4.1112 4.2219 4.2219 4.3212 4.3212 4.8065 4.8065 5.2981 5.2981 5.7642 5.7642 5.9986 5.9986 8.0938 8.0938 12.9796 12.9796 13.7121 13.7121 13.8963 13.8963 14.4238 14.4238 k = 0.3178 0.5505-0.0000 ( 2620 PWs) bands (ev): -30.6707 -30.6707 -11.9149 -11.9149 -11.5611 -11.5611 -11.5037 -11.5037 2.1019 2.1019 2.2333 2.2333 2.5364 2.5364 2.5621 2.5621 3.5995 3.5995 4.1104 4.1104 4.2204 4.2204 4.3236 4.3236 4.8055 4.8055 5.2908 5.2908 5.7284 5.7284 6.0317 6.0317 8.1183 8.1183 12.9733 12.9733 13.7113 13.7113 13.8957 13.8957 14.3948 14.3948 k = 0.3101 0.5371-0.0000 ( 2636 PWs) bands (ev): -30.6707 -30.6707 -11.9150 -11.9150 -11.5612 -11.5612 -11.5037 -11.5037 2.1040 2.1040 2.2335 2.2335 2.5357 2.5357 2.5622 2.5622 3.5982 3.5982 4.1089 4.1089 4.2183 4.2183 4.3274 4.3274 4.8038 4.8038 5.2794 5.2794 5.6747 5.6747 6.0819 6.0819 8.1573 8.1573 12.9631 12.9631 13.7104 13.7104 13.8947 13.8947 14.3666 14.3666 k = 0.3023 0.5236-0.0000 ( 2636 PWs) bands (ev): -30.6707 -30.6707 -11.9149 -11.9149 -11.5611 -11.5611 -11.5037 -11.5037 2.1069 2.1069 2.2338 2.2338 2.5347 2.5347 2.5623 2.5623 3.5960 3.5960 4.1065 4.1065 4.2160 4.2160 4.3321 4.3321 4.8012 4.8012 5.2647 5.2647 5.6100 5.6100 6.1435 6.1435 8.2090 8.2090 12.9493 12.9493 13.7099 13.7099 13.8936 13.8936 14.3396 14.3396 k = 0.2946 0.5102-0.0000 ( 2632 PWs) bands (ev): -30.6707 -30.6707 -11.9149 -11.9149 -11.5610 -11.5610 -11.5037 -11.5037 2.1106 2.1106 2.2342 2.2342 2.5335 2.5335 2.5625 2.5625 3.5929 3.5929 4.1032 4.1032 4.2140 4.2140 4.3375 4.3375 4.7977 4.7977 5.2470 5.2470 5.5390 5.5390 6.2134 6.2134 8.2718 8.2718 12.9321 12.9321 13.7099 13.7099 13.8925 13.8925 14.3138 14.3138 k = 0.2868 0.4968-0.0000 ( 2628 PWs) bands (ev): -30.6707 -30.6707 -11.9148 -11.9148 -11.5609 -11.5609 -11.5036 -11.5036 2.1152 2.1152 2.2347 2.2347 2.5320 2.5320 2.5627 2.5627 3.5888 3.5888 4.0987 4.0987 4.2126 4.2126 4.3433 4.3433 4.7930 4.7930 5.2269 5.2269 5.4651 5.4651 6.2898 6.2898 8.3442 8.3442 12.9117 12.9117 13.7106 13.7106 13.8917 13.8917 14.2896 14.2896 k = 0.2791 0.4834-0.0000 ( 2640 PWs) bands (ev): -30.6707 -30.6707 -11.9148 -11.9148 -11.5608 -11.5608 -11.5036 -11.5036 2.1205 2.1205 2.2353 2.2353 2.5302 2.5302 2.5629 2.5629 3.5832 3.5832 4.0931 4.0931 4.2119 4.2119 4.3494 4.3494 4.7870 4.7870 5.2043 5.2043 5.3908 5.3908 6.3715 6.3715 8.4248 8.4248 12.8883 12.8883 13.7119 13.7119 13.8913 13.8913 14.2670 14.2670 k = 0.2713 0.4699-0.0000 ( 2640 PWs) bands (ev): -30.6708 -30.6708 -11.9147 -11.9147 -11.5607 -11.5607 -11.5036 -11.5036 2.1267 2.1267 2.2361 2.2361 2.5283 2.5283 2.5631 2.5631 3.5762 3.5762 4.0862 4.0862 4.2122 4.2122 4.3554 4.3554 4.7794 4.7794 5.1788 5.1788 5.3189 5.3189 6.4579 6.4579 8.5124 8.5124 12.8622 12.8622 13.7141 13.7141 13.8918 13.8918 14.2464 14.2464 k = 0.2636 0.4565-0.0000 ( 2642 PWs) bands (ev): -30.6708 -30.6708 -11.9146 -11.9146 -11.5606 -11.5606 -11.5035 -11.5035 2.1336 2.1336 2.2369 2.2369 2.5261 2.5261 2.5633 2.5633 3.5674 3.5674 4.0783 4.0783 4.2134 4.2134 4.3614 4.3614 4.7697 4.7697 5.1491 5.1491 5.2529 5.2529 6.5486 6.5486 8.6058 8.6058 12.8336 12.8336 13.7173 13.7173 13.8934 13.8934 14.2277 14.2277 k = 0.2558 0.4431-0.0000 ( 2646 PWs) bands (ev): -30.6708 -30.6708 -11.9145 -11.9145 -11.5604 -11.5604 -11.5035 -11.5035 2.1412 2.1412 2.2379 2.2379 2.5237 2.5237 2.5635 2.5635 3.5565 3.5565 4.0694 4.0694 4.2155 4.2155 4.3672 4.3672 4.7574 4.7574 5.1126 5.1126 5.1972 5.1972 6.6432 6.6432 8.7043 8.7043 12.8026 12.8026 13.7213 13.7213 13.8963 13.8963 14.2112 14.2112 k = 0.2481 0.4297-0.0000 ( 2642 PWs) bands (ev): -30.6708 -30.6708 -11.9144 -11.9144 -11.5601 -11.5601 -11.5034 -11.5034 2.1494 2.1494 2.2390 2.2390 2.5212 2.5212 2.5637 2.5637 3.5433 3.5433 4.0597 4.0597 4.2183 4.2183 4.3727 4.3727 4.7419 4.7419 5.0685 5.0685 5.1544 5.1544 6.7414 6.7414 8.8069 8.8069 12.7698 12.7698 13.7262 13.7262 13.9007 13.9007 14.1972 14.1972 k = 0.2403 0.4162-0.0000 ( 2632 PWs) bands (ev): -30.6708 -30.6708 -11.9142 -11.9142 -11.5599 -11.5599 -11.5033 -11.5033 2.1583 2.1583 2.2403 2.2403 2.5186 2.5186 2.5639 2.5639 3.5274 3.5274 4.0494 4.0494 4.2219 4.2219 4.3778 4.3778 4.7225 4.7225 5.0216 5.0216 5.1213 5.1213 6.8432 6.8432 8.9130 8.9130 12.7353 12.7353 13.7321 13.7321 13.9068 13.9068 14.1858 14.1858 k = 0.2326 0.4028-0.0000 ( 2636 PWs) bands (ev): -30.6708 -30.6708 -11.9141 -11.9141 -11.5596 -11.5596 -11.5033 -11.5033 2.1676 2.1676 2.2415 2.2415 2.5159 2.5159 2.5641 2.5641 3.5088 3.5088 4.0387 4.0387 4.2261 4.2261 4.3824 4.3824 4.6991 4.6991 4.9774 4.9774 5.0934 5.0934 6.9483 6.9483 9.0219 9.0219 12.6994 12.6994 13.7387 13.7387 13.9146 13.9146 14.1770 14.1770 k = 0.2248 0.3894-0.0000 ( 2632 PWs) bands (ev): -30.6708 -30.6708 -11.9139 -11.9139 -11.5594 -11.5594 -11.5032 -11.5032 2.1773 2.1773 2.2430 2.2430 2.5131 2.5131 2.5643 2.5643 3.4871 3.4871 4.0279 4.0279 4.2308 4.2308 4.3866 4.3866 4.6720 4.6720 4.9385 4.9385 5.0683 5.0683 7.0565 7.0565 9.1330 9.1330 12.6625 12.6625 13.7463 13.7463 13.9242 13.9242 14.1713 14.1713 k = 0.2171 0.3759-0.0000 ( 2634 PWs) bands (ev): -30.6708 -30.6708 -11.9137 -11.9137 -11.5591 -11.5591 -11.5031 -11.5031 2.1872 2.1872 2.2445 2.2445 2.5104 2.5104 2.5645 2.5645 3.4623 3.4623 4.0172 4.0172 4.2359 4.2359 4.3903 4.3903 4.6421 4.6421 4.9049 4.9049 5.0455 5.0455 7.1679 7.1679 9.2456 9.2456 12.6248 12.6248 13.7549 13.7549 13.9357 13.9357 14.1686 14.1686 k = 0.2093 0.3625-0.0000 ( 2634 PWs) bands (ev): -30.6709 -30.6709 -11.9135 -11.9135 -11.5588 -11.5588 -11.5030 -11.5030 2.1970 2.1970 2.2463 2.2463 2.5078 2.5078 2.5646 2.5646 3.4343 3.4343 4.0069 4.0069 4.2414 4.2414 4.3935 4.3935 4.6109 4.6109 4.8755 4.8755 5.0248 5.0248 7.2821 7.2821 9.3592 9.3592 12.5868 12.5868 13.7644 13.7644 13.9490 13.9490 14.1691 14.1691 k = 0.2016 0.3491-0.0000 ( 2628 PWs) bands (ev): -30.6709 -30.6709 -11.9133 -11.9133 -11.5585 -11.5585 -11.5029 -11.5029 2.2065 2.2065 2.2485 2.2485 2.5053 2.5053 2.5648 2.5648 3.4034 3.4034 3.9972 3.9972 4.2473 4.2473 4.3961 4.3961 4.5798 4.5798 4.8490 4.8490 5.0062 5.0062 7.3993 7.3993 9.4732 9.4732 12.5489 12.5489 13.7751 13.7751 13.9638 13.9638 14.1731 14.1731 k = 0.1938 0.3357-0.0000 ( 2644 PWs) bands (ev): -30.6709 -30.6709 -11.9132 -11.9132 -11.5582 -11.5582 -11.5029 -11.5029 2.2149 2.2149 2.2515 2.2515 2.5031 2.5031 2.5649 2.5649 3.3698 3.3698 3.9882 3.9882 4.2533 4.2533 4.3982 4.3982 4.5501 4.5501 4.8239 4.8239 4.9898 4.9898 7.5192 7.5192 9.5871 9.5871 12.5113 12.5113 13.7870 13.7870 13.9801 13.9801 14.1801 14.1801 k = 0.1860 0.3222-0.0000 ( 2644 PWs) bands (ev): -30.6709 -30.6709 -11.9130 -11.9130 -11.5579 -11.5579 -11.5028 -11.5028 2.2214 2.2214 2.2561 2.2561 2.5013 2.5013 2.5651 2.5651 3.3340 3.3340 3.9803 3.9803 4.2595 4.2595 4.3997 4.3997 4.5222 4.5222 4.7994 4.7994 4.9756 4.9756 7.6418 7.6418 9.7002 9.7002 12.4745 12.4745 13.8003 13.8003 13.9975 13.9975 14.1904 14.1904 k = 0.1783 0.3088-0.0000 ( 2644 PWs) bands (ev): -30.6709 -30.6709 -11.9128 -11.9128 -11.5575 -11.5575 -11.5027 -11.5027 2.2252 2.2252 2.2627 2.2627 2.5000 2.5000 2.5652 2.5652 3.2964 3.2964 3.9734 3.9734 4.2658 4.2658 4.4007 4.4007 4.4967 4.4967 4.7749 4.7749 4.9634 4.9634 7.7670 7.7670 9.8119 9.8119 12.4388 12.4388 13.8151 13.8151 14.0158 14.0158 14.2034 14.2034 k = 0.1705 0.2954-0.0000 ( 2636 PWs) bands (ev): -30.6710 -30.6710 -11.9125 -11.9125 -11.5571 -11.5571 -11.5026 -11.5026 2.2265 2.2265 2.2711 2.2711 2.4992 2.4992 2.5654 2.5654 3.2577 3.2577 3.9677 3.9677 4.2722 4.2722 4.4013 4.4013 4.4735 4.4735 4.7504 4.7504 4.9531 4.9531 7.8946 7.8946 9.9215 9.9215 12.4046 12.4046 13.8312 13.8312 14.0343 14.0343 14.2184 14.2184 k = 0.1628 0.2820-0.0000 ( 2632 PWs) bands (ev): -30.6710 -30.6710 -11.9123 -11.9123 -11.5567 -11.5567 -11.5025 -11.5025 2.2256 2.2256 2.2805 2.2805 2.4992 2.4992 2.5655 2.5655 3.2183 3.2183 3.9630 3.9630 4.2785 4.2785 4.4014 4.4014 4.4526 4.4526 4.7257 4.7257 4.9444 4.9444 8.0247 8.0247 10.0285 10.0285 12.3723 12.3723 13.8484 13.8484 14.0518 14.0518 14.2338 14.2338 k = 0.1550 0.2685-0.0000 ( 2632 PWs) bands (ev): -30.6710 -30.6710 -11.9120 -11.9120 -11.5563 -11.5563 -11.5024 -11.5024 2.2228 2.2228 2.2905 2.2905 2.5001 2.5001 2.5657 2.5657 3.1790 3.1790 3.9595 3.9595 4.2846 4.2846 4.4011 4.4011 4.4339 4.4339 4.7009 4.7009 4.9370 4.9370 8.1572 8.1572 10.1320 10.1320 12.3421 12.3421 13.8657 13.8657 14.0661 14.0661 14.2476 14.2476 k = 0.1473 0.2551-0.0000 ( 2626 PWs) bands (ev): -30.6710 -30.6710 -11.9118 -11.9118 -11.5559 -11.5559 -11.5023 -11.5023 2.2185 2.2185 2.3005 2.3005 2.5018 2.5018 2.5658 2.5658 3.1402 3.1402 3.9569 3.9569 4.2905 4.2905 4.4004 4.4004 4.4172 4.4172 4.6763 4.6763 4.9307 4.9307 8.2918 8.2918 10.2315 10.2315 12.3146 12.3146 13.8805 13.8805 14.0725 14.0725 14.2585 14.2585 k = 0.1395 0.2417-0.0000 ( 2626 PWs) bands (ev): -30.6710 -30.6710 -11.9116 -11.9116 -11.5556 -11.5556 -11.5021 -11.5021 2.2128 2.2128 2.3104 2.3104 2.5045 2.5045 2.5660 2.5660 3.1024 3.1024 3.9554 3.9554 4.2960 4.2960 4.3983 4.3983 4.4034 4.4034 4.6519 4.6519 4.9253 4.9253 8.4286 8.4286 10.3262 10.3262 12.2899 12.2899 13.8846 13.8846 14.0660 14.0660 14.2686 14.2686 k = 0.1318 0.2283-0.0000 ( 2626 PWs) bands (ev): -30.6711 -30.6711 -11.9113 -11.9113 -11.5552 -11.5552 -11.5020 -11.5020 2.2056 2.2056 2.3200 2.3200 2.5081 2.5081 2.5661 2.5661 3.0661 3.0661 3.9548 3.9548 4.3009 4.3009 4.3876 4.3876 4.3997 4.3997 4.6279 4.6279 4.9207 4.9207 8.5675 8.5675 10.4154 10.4154 12.2684 12.2684 13.8580 13.8580 14.0555 14.0555 14.2851 14.2851 k = 0.1240 0.2148-0.0000 ( 2620 PWs) bands (ev): -30.6711 -30.6711 -11.9111 -11.9111 -11.5548 -11.5548 -11.5019 -11.5019 2.1971 2.1971 2.3293 2.3293 2.5127 2.5127 2.5663 2.5663 3.0315 3.0315 3.9549 3.9549 4.3052 4.3052 4.3757 4.3757 4.3987 4.3987 4.6046 4.6046 4.9166 4.9166 8.7082 8.7082 10.4987 10.4987 12.2502 12.2502 13.7828 13.7828 14.0619 14.0619 14.3123 14.3123 k = 0.1163 0.2014-0.0000 ( 2620 PWs) bands (ev): -30.6711 -30.6711 -11.9109 -11.9109 -11.5544 -11.5544 -11.5018 -11.5018 2.1875 2.1875 2.3381 2.3381 2.5181 2.5181 2.5664 2.5664 2.9990 2.9990 3.9559 3.9559 4.3084 4.3084 4.3650 4.3650 4.3980 4.3980 4.5819 4.5819 4.9130 4.9130 8.8508 8.8508 10.5753 10.5753 12.2356 12.2356 13.6700 13.6700 14.0858 14.0858 14.3494 14.3494 k = 0.1085 0.1880-0.0000 ( 2624 PWs) bands (ev): -30.6711 -30.6711 -11.9107 -11.9107 -11.5541 -11.5541 -11.5018 -11.5018 2.1768 2.1768 2.3465 2.3465 2.5241 2.5241 2.5666 2.5666 2.9686 2.9686 3.9574 3.9574 4.3104 4.3104 4.3558 4.3558 4.3977 4.3977 4.5601 4.5601 4.9097 4.9097 8.9950 8.9950 10.6451 10.6451 12.2245 12.2245 13.5367 13.5367 14.1197 14.1197 14.3947 14.3947 k = 0.1008 0.1745-0.0000 ( 2624 PWs) bands (ev): -30.6711 -30.6711 -11.9104 -11.9104 -11.5537 -11.5537 -11.5017 -11.5017 2.1653 2.1653 2.3545 2.3545 2.5307 2.5307 2.5667 2.5667 2.9405 2.9405 3.9595 3.9595 4.3107 4.3107 4.3481 4.3481 4.3979 4.3979 4.5393 4.5393 4.9068 4.9068 9.1406 9.1406 10.7077 10.7077 12.2168 12.2168 13.3921 13.3921 14.1596 14.1596 14.4470 14.4470 k = 0.0930 0.1611-0.0000 ( 2620 PWs) bands (ev): -30.6711 -30.6711 -11.9102 -11.9102 -11.5534 -11.5534 -11.5016 -11.5016 2.1533 2.1533 2.3620 2.3620 2.5377 2.5377 2.5669 2.5669 2.9148 2.9148 3.9621 3.9621 4.3092 4.3092 4.3421 4.3421 4.3986 4.3986 4.5196 4.5196 4.9042 4.9042 9.2876 9.2876 10.7633 10.7633 12.2124 12.2124 13.2410 13.2410 14.2039 14.2039 14.5056 14.5056 k = 0.0853 0.1477-0.0000 ( 2620 PWs) bands (ev): -30.6712 -30.6712 -11.9100 -11.9100 -11.5531 -11.5531 -11.5015 -11.5015 2.1410 2.1410 2.3690 2.3690 2.5448 2.5448 2.5672 2.5672 2.8914 2.8914 3.9650 3.9650 4.3059 4.3059 4.3377 4.3377 4.3998 4.3998 4.5011 4.5011 4.9018 4.9018 9.4356 9.4356 10.8120 10.8120 12.2110 12.2110 13.0859 13.0859 14.2514 14.2514 14.5697 14.5697 k = 0.0775 0.1343-0.0000 ( 2618 PWs) bands (ev): -30.6712 -30.6712 -11.9099 -11.9099 -11.5528 -11.5528 -11.5014 -11.5014 2.1286 2.1286 2.3755 2.3755 2.5519 2.5519 2.5675 2.5675 2.8703 2.8703 3.9683 3.9683 4.3014 4.3014 4.3345 4.3345 4.4015 4.4015 4.4838 4.4838 4.8996 4.8996 9.5843 9.5843 10.8543 10.8543 12.2121 12.2121 12.9283 12.9283 14.3016 14.3016 14.6383 14.6383 k = 0.0698 0.1208-0.0000 ( 2630 PWs) bands (ev): -30.6712 -30.6712 -11.9097 -11.9097 -11.5525 -11.5525 -11.5014 -11.5014 2.1164 2.1164 2.3815 2.3815 2.5586 2.5586 2.5681 2.5681 2.8514 2.8514 3.9716 3.9716 4.2963 4.2963 4.3318 4.3318 4.4035 4.4035 4.4679 4.4679 4.8976 4.8976 9.7333 9.7333 10.8909 10.8909 12.2151 12.2151 12.7691 12.7691 14.3540 14.3540 14.7098 14.7099 k = 0.0620 0.1074-0.0000 ( 2626 PWs) bands (ev): -30.6712 -30.6712 -11.9096 -11.9096 -11.5523 -11.5523 -11.5013 -11.5013 2.1048 2.1048 2.3870 2.3870 2.5637 2.5637 2.5701 2.5701 2.8347 2.8347 3.9751 3.9751 4.2910 4.2910 4.3295 4.3295 4.4057 4.4057 4.4535 4.4535 4.8958 4.8958 9.8820 9.8820 10.9228 10.9228 12.2195 12.2195 12.6092 12.6092 14.4085 14.4085 14.7815 14.7815 k = 0.0543 0.0940-0.0000 ( 2628 PWs) bands (ev): -30.6712 -30.6712 -11.9094 -11.9094 -11.5521 -11.5521 -11.5012 -11.5012 2.0939 2.0939 2.3919 2.3919 2.5658 2.5658 2.5748 2.5748 2.8201 2.8201 3.9785 3.9785 4.2860 4.2860 4.3272 4.3272 4.4080 4.4080 4.4405 4.4405 4.8942 4.8942 10.0294 10.0294 10.9513 10.9513 12.2247 12.2247 12.4491 12.4491 14.4644 14.4644 14.8472 14.8472 k = 0.0465 0.0806-0.0000 ( 2626 PWs) bands (ev): -30.6712 -30.6712 -11.9093 -11.9093 -11.5519 -11.5519 -11.5012 -11.5012 2.0840 2.0840 2.3962 2.3962 2.5664 2.5664 2.5803 2.5803 2.8075 2.8075 3.9817 3.9817 4.2814 4.2814 4.3252 4.3252 4.4102 4.4102 4.4292 4.4292 4.8928 4.8928 10.1741 10.1741 10.9782 10.9782 12.2296 12.2296 12.2903 12.2903 14.5217 14.5217 14.8659 14.8659 k = 0.0388 0.0671-0.0000 ( 2626 PWs) bands (ev): -30.6712 -30.6712 -11.9092 -11.9092 -11.5517 -11.5517 -11.5011 -11.5011 2.0752 2.0752 2.4000 2.4000 2.5667 2.5667 2.5856 2.5856 2.7968 2.7968 3.9847 3.9847 4.2773 4.2773 4.3233 4.3233 4.4119 4.4119 4.4197 4.4197 4.8916 4.8916 10.3134 10.3134 11.0059 11.0059 12.1299 12.1299 12.2370 12.2370 14.5797 14.5797 14.8658 14.8658 k = 0.0310 0.0537-0.0000 ( 2628 PWs) bands (ev): -30.6713 -30.6713 -11.9091 -11.9091 -11.5516 -11.5516 -11.5011 -11.5011 2.0678 2.0678 2.4031 2.4031 2.5669 2.5669 2.5902 2.5902 2.7881 2.7881 3.9874 3.9874 4.2738 4.2738 4.3217 4.3217 4.4100 4.4100 4.4154 4.4154 4.8905 4.8905 10.4432 10.4432 11.0385 11.0385 11.9739 11.9739 12.2418 12.2418 14.6380 14.6380 14.8653 14.8653 k = 0.0233 0.0403-0.0000 ( 2632 PWs) bands (ev): -30.6713 -30.6713 -11.9091 -11.9091 -11.5515 -11.5515 -11.5011 -11.5011 2.0619 2.0619 2.4055 2.4055 2.5670 2.5670 2.5940 2.5940 2.7812 2.7812 3.9895 3.9895 4.2710 4.2710 4.3203 4.3203 4.4042 4.4042 4.4162 4.4162 4.8897 4.8897 10.5563 10.5563 11.0822 11.0822 11.8214 11.8214 12.2459 12.2459 14.6958 14.6958 14.8646 14.8646 k = 0.0155 0.0269-0.0000 ( 2635 PWs) bands (ev): -30.6713 -30.6713 -11.9091 -11.9091 -11.5514 -11.5514 -11.5011 -11.5011 2.0576 2.0576 2.4073 2.4073 2.5670 2.5670 2.5968 2.5968 2.7763 2.7763 3.9911 3.9911 4.2690 4.2690 4.3193 4.3193 4.3998 4.3998 4.4172 4.4172 4.8892 4.8892 10.6431 10.6431 11.1434 11.1434 11.6760 11.6760 12.2491 12.2491 14.7520 14.7520 14.8641 14.8641 k = 0.0078 0.0134-0.0000 ( 2639 PWs) bands (ev): -30.6713 -30.6713 -11.9090 -11.9090 -11.5514 -11.5514 -11.5011 -11.5011 2.0550 2.0550 2.4083 2.4083 2.5671 2.5671 2.5985 2.5985 2.7734 2.7734 3.9921 3.9921 4.2678 4.2678 4.3187 4.3187 4.3970 4.3970 4.4178 4.4178 4.8888 4.8888 10.6961 10.6961 11.2206 11.2206 11.5473 11.5473 12.2511 12.2511 14.8049 14.8049 14.8628 14.8628 k = 0.0000 0.0000 0.0000 ( 2655 PWs) bands (ev): -30.6713 -30.6713 -11.9091 -11.9091 -11.5514 -11.5514 -11.5011 -11.5011 2.0541 2.0541 2.4087 2.4087 2.5671 2.5671 2.5991 2.5991 2.7724 2.7724 3.9924 3.9924 4.2674 4.2674 4.3185 4.3185 4.3961 4.3961 4.4181 4.4181 4.8887 4.8887 10.7135 10.7135 11.2713 11.2713 11.4796 11.4796 12.2518 12.2518 14.8473 14.8473 14.8515 14.8519 k = 0.0000 0.0000 0.0000 ( 2655 PWs) bands (ev): -30.6713 -30.6713 -11.9091 -11.9091 -11.5514 -11.5514 -11.5011 -11.5011 2.0541 2.0541 2.4087 2.4087 2.5671 2.5671 2.5991 2.5991 2.7724 2.7724 3.9924 3.9924 4.2674 4.2674 4.3185 4.3185 4.3961 4.3961 4.4181 4.4181 4.8887 4.8887 10.7135 10.7135 11.2713 11.2713 11.4796 11.4796 12.2518 12.2518 14.8473 14.8473 14.8515 14.8540 k = 0.0000 0.0000 0.0155 ( 2643 PWs) bands (ev): -30.6713 -30.6713 -11.9091 -11.9091 -11.5514 -11.5514 -11.5013 -11.5013 2.0545 2.0545 2.4087 2.4087 2.5670 2.5670 2.5989 2.5989 2.7739 2.7739 3.9925 3.9925 4.2669 4.2669 4.3184 4.3184 4.3963 4.3963 4.4186 4.4186 4.8885 4.8885 10.7155 10.7155 11.2735 11.2735 11.4806 11.4806 12.2530 12.2530 14.7816 14.7816 14.8629 14.8629 k = 0.0000 0.0000 0.0311 ( 2643 PWs) bands (ev): -30.6712 -30.6712 -11.9092 -11.9092 -11.5513 -11.5513 -11.5018 -11.5018 2.0555 2.0555 2.4087 2.4087 2.5668 2.5668 2.5986 2.5986 2.7786 2.7786 3.9927 3.9927 4.2653 4.2653 4.3182 4.3182 4.3968 4.3968 4.4202 4.4202 4.8879 4.8879 10.7215 10.7215 11.2799 11.2799 11.4836 11.4836 12.2568 12.2568 14.7099 14.7099 14.8217 14.8217 k = 0.0000 0.0000 0.0466 ( 2631 PWs) bands (ev): -30.6711 -30.6711 -11.9094 -11.9094 -11.5511 -11.5511 -11.5026 -11.5026 2.0573 2.0573 2.4088 2.4088 2.5663 2.5663 2.5980 2.5980 2.7863 2.7863 3.9930 3.9930 4.2627 4.2627 4.3177 4.3177 4.3976 4.3976 4.4228 4.4228 4.8869 4.8869 10.7315 10.7315 11.2907 11.2907 11.4886 11.4886 12.2629 12.2629 14.6353 14.6353 14.7652 14.7652 k = 0.0000 0.0000 0.0622 ( 2619 PWs) bands (ev): -30.6709 -30.6709 -11.9096 -11.9096 -11.5508 -11.5508 -11.5039 -11.5039 2.0597 2.0597 2.4090 2.4090 2.5657 2.5657 2.5971 2.5971 2.7971 2.7971 3.9935 3.9935 4.2590 4.2590 4.3172 4.3172 4.3988 4.3988 4.4265 4.4265 4.8854 4.8854 10.7454 10.7454 11.3058 11.3058 11.4957 11.4957 12.2710 12.2710 14.5582 14.5582 14.7005 14.7005 k = 0.0000 0.0000 0.0777 ( 2619 PWs) bands (ev): -30.6708 -30.6708 -11.9100 -11.9100 -11.5506 -11.5506 -11.5054 -11.5054 2.0627 2.0627 2.4091 2.4091 2.5649 2.5649 2.5960 2.5960 2.8110 2.8110 3.9942 3.9942 4.2544 4.2544 4.3164 4.3164 4.4003 4.4003 4.4312 4.4312 4.8836 4.8836 10.7633 10.7633 11.3251 11.3251 11.5048 11.5048 12.2807 12.2807 14.4788 14.4788 14.6318 14.6318 k = 0.0000 0.0000 0.0933 ( 2637 PWs) bands (ev): -30.6706 -30.6706 -11.9105 -11.9105 -11.5503 -11.5503 -11.5075 -11.5075 2.0663 2.0663 2.4093 2.4093 2.5639 2.5639 2.5947 2.5947 2.8280 2.8280 3.9949 3.9949 4.2488 4.2488 4.3156 4.3156 4.4023 4.4023 4.4370 4.4370 4.8814 4.8814 10.7850 10.7850 11.3486 11.3486 11.5159 11.5159 12.2911 12.2911 14.3969 14.3969 14.5612 14.5612 k = 0.0000 0.0000 0.1088 ( 2637 PWs) bands (ev): -30.6703 -30.6703 -11.9111 -11.9111 -11.5499 -11.5499 -11.5097 -11.5097 2.0705 2.0705 2.4095 2.4095 2.5626 2.5626 2.5931 2.5931 2.8480 2.8480 3.9959 3.9959 4.2423 4.2423 4.3146 4.3146 4.4046 4.4046 4.4438 4.4438 4.8788 4.8788 10.8106 10.8106 11.3763 11.3763 11.5292 11.5292 12.3017 12.3017 14.3119 14.3119 14.4900 14.4900 k = 0.0000 0.0000 0.1243 ( 2631 PWs) bands (ev): -30.6701 -30.6701 -11.9117 -11.9117 -11.5495 -11.5495 -11.5122 -11.5122 2.0751 2.0751 2.4098 2.4098 2.5611 2.5611 2.5913 2.5913 2.8710 2.8710 3.9970 3.9970 4.2349 4.2349 4.3136 4.3136 4.4075 4.4075 4.4517 4.4517 4.8758 4.8758 10.8399 10.8399 11.4080 11.4080 11.5447 11.5447 12.3112 12.3112 14.2234 14.2234 14.4190 14.4190 k = 0.0000 0.0000 0.1399 ( 2631 PWs) bands (ev): -30.6697 -30.6697 -11.9125 -11.9125 -11.5491 -11.5491 -11.5150 -11.5150 2.0801 2.0801 2.4100 2.4100 2.5594 2.5594 2.5893 2.5893 2.8971 2.8971 3.9982 3.9982 4.2267 4.2267 4.3124 4.3124 4.4109 4.4109 4.4607 4.4607 4.8725 4.8725 10.8729 10.8729 11.4438 11.4438 11.5623 11.5623 12.3177 12.3177 14.1310 14.1310 14.3486 14.3486 k = 0.0000 0.0000 0.1554 ( 2619 PWs) bands (ev): -30.6694 -30.6694 -11.9133 -11.9133 -11.5485 -11.5485 -11.5180 -11.5180 2.0855 2.0855 2.4103 2.4103 2.5574 2.5574 2.5871 2.5871 2.9261 2.9261 3.9997 3.9997 4.2178 4.2178 4.3113 4.3113 4.4149 4.4149 4.4707 4.4707 4.8689 4.8689 10.9096 10.9096 11.4835 11.4835 11.5822 11.5822 12.3190 12.3190 14.0357 14.0357 14.2791 14.2791 k = 0.0000 0.0000 0.1710 ( 2619 PWs) bands (ev): -30.6690 -30.6690 -11.9142 -11.9142 -11.5480 -11.5480 -11.5212 -11.5212 2.0912 2.0912 2.4107 2.4107 2.5551 2.5551 2.5846 2.5846 2.9579 2.9579 4.0012 4.0012 4.2081 4.2081 4.3100 4.3100 4.4196 4.4196 4.4818 4.4818 4.8650 4.8650 10.9498 10.9498 11.5271 11.5271 11.6044 11.6044 12.3119 12.3119 13.9395 13.9395 14.2106 14.2106 k = 0.0000 0.0000 0.1865 ( 2631 PWs) bands (ev): -30.6686 -30.6686 -11.9153 -11.9153 -11.5474 -11.5474 -11.5248 -11.5248 2.0972 2.0972 2.4110 2.4110 2.5525 2.5525 2.5820 2.5820 2.9925 2.9925 4.0030 4.0030 4.1979 4.1979 4.3088 4.3088 4.4251 4.4251 4.4939 4.4939 4.8608 4.8608 10.9934 10.9934 11.5744 11.5744 11.6290 11.6290 12.2929 12.2929 13.8470 13.8470 14.1433 14.1433 k = 0.0000 0.0000 0.2021 ( 2625 PWs) bands (ev): -30.6682 -30.6682 -11.9164 -11.9164 -11.5468 -11.5468 -11.5284 -11.5284 2.1034 2.1034 2.4114 2.4114 2.5496 2.5496 2.5792 2.5792 3.0296 3.0296 4.0049 4.0049 4.1870 4.1870 4.3075 4.3075 4.4315 4.4315 4.5070 4.5070 4.8563 4.8563 11.0404 11.0404 11.6255 11.6255 11.6560 11.6560 12.2578 12.2578 13.7639 13.7639 14.0774 14.0774 k = 0.0000 0.0000 0.2176 ( 2625 PWs) bands (ev): -30.6678 -30.6678 -11.9177 -11.9177 -11.5461 -11.5461 -11.5322 -11.5322 2.1097 2.1097 2.4118 2.4118 2.5464 2.5464 2.5762 2.5762 3.0693 3.0693 4.0069 4.0069 4.1757 4.1757 4.3062 4.3062 4.4391 4.4391 4.5211 4.5211 4.8516 4.8516 11.0905 11.0905 11.6801 11.6801 11.6856 11.6856 12.2026 12.2026 13.6960 13.6960 14.0130 14.0130 k = 0.0000 0.0000 0.2331 ( 2631 PWs) bands (ev): -30.6673 -30.6673 -11.9190 -11.9190 -11.5455 -11.5455 -11.5362 -11.5362 2.1161 2.1161 2.4123 2.4123 2.5429 2.5429 2.5730 2.5730 3.1112 3.1112 4.0091 4.0091 4.1640 4.1640 4.3049 4.3049 4.4479 4.4479 4.5362 4.5362 4.8466 4.8466 11.1438 11.1438 11.7178 11.7178 11.7382 11.7382 12.1249 12.1249 13.6476 13.6476 13.9501 13.9501 k = 0.0000 0.0000 0.2487 ( 2613 PWs) bands (ev): -30.6668 -30.6668 -11.9204 -11.9204 -11.5447 -11.5447 -11.5401 -11.5401 2.1227 2.1227 2.4128 2.4128 2.5391 2.5391 2.5697 2.5697 3.1551 3.1551 4.0114 4.0114 4.1519 4.1519 4.3037 4.3037 4.4584 4.4584 4.5522 4.5522 4.8415 4.8415 11.2000 11.2000 11.7528 11.7528 11.7997 11.7997 12.0244 12.0244 13.6204 13.6204 13.8890 13.8890 k = 0.0000 0.0000 0.2642 ( 2613 PWs) bands (ev): -30.6663 -30.6663 -11.9220 -11.9220 -11.5443 -11.5443 -11.5440 -11.5440 2.1292 2.1292 2.4132 2.4132 2.5350 2.5350 2.5663 2.5663 3.2008 3.2008 4.0138 4.0138 4.1395 4.1395 4.3025 4.3025 4.4706 4.4706 4.5691 4.5691 4.8362 4.8362 11.2590 11.2590 11.7906 11.7906 11.8644 11.8644 11.9029 11.9029 13.6127 13.6127 13.8295 13.8295 k = 0.0000 0.0000 0.2798 ( 2613 PWs) bands (ev): -30.6658 -30.6658 -11.9236 -11.9236 -11.5484 -11.5484 -11.5432 -11.5432 2.1357 2.1357 2.4138 2.4138 2.5306 2.5306 2.5627 2.5627 3.2478 3.2478 4.0162 4.0162 4.1270 4.1270 4.3013 4.3013 4.4849 4.4849 4.5868 4.5868 4.8308 4.8308 11.3207 11.3207 11.7636 11.7636 11.8314 11.8314 11.9323 11.9323 13.6199 13.6199 13.7718 13.7718 k = 0.0000 0.0000 0.2953 ( 2613 PWs) bands (ev): -30.6652 -30.6652 -11.9254 -11.9254 -11.5526 -11.5526 -11.5424 -11.5424 2.1422 2.1422 2.4143 2.4143 2.5259 2.5259 2.5590 2.5590 3.2959 3.2959 4.0188 4.0188 4.1143 4.1143 4.3001 4.3001 4.5018 4.5018 4.6053 4.6053 4.8253 4.8253 11.3848 11.3848 11.6102 11.6102 11.8753 11.8753 12.0032 12.0032 13.6331 13.6331 13.7159 13.7159 k = 0.0000 0.0000 0.3109 ( 2613 PWs) bands (ev): -30.6647 -30.6647 -11.9272 -11.9272 -11.5568 -11.5568 -11.5416 -11.5416 2.1486 2.1486 2.4149 2.4149 2.5210 2.5210 2.5552 2.5552 3.3445 3.3445 4.0214 4.0214 4.1015 4.1015 4.2989 4.2989 4.5215 4.5215 4.6245 4.6245 4.8196 4.8196 11.4462 11.4462 11.4513 11.4513 11.9224 11.9224 12.0771 12.0771 13.6382 13.6382 13.6618 13.6618 k = 0.0000 0.0000 0.3264 ( 2613 PWs) bands (ev): -30.6642 -30.6642 -11.9291 -11.9291 -11.5609 -11.5609 -11.5408 -11.5408 2.1549 2.1549 2.4155 2.4155 2.5158 2.5158 2.5514 2.5514 3.3932 3.3932 4.0240 4.0240 4.0888 4.0888 4.2978 4.2978 4.5445 4.5445 4.6443 4.6443 4.8140 4.8140 11.2744 11.2744 11.5198 11.5198 11.9729 11.9729 12.1537 12.1537 13.6097 13.6097 13.6236 13.6236 k = 0.0000 0.0000 0.3419 ( 2613 PWs) bands (ev): -30.6636 -30.6636 -11.9311 -11.9311 -11.5650 -11.5650 -11.5401 -11.5401 2.1611 2.1611 2.4161 2.4161 2.5105 2.5105 2.5475 2.5475 3.4414 3.4414 4.0266 4.0266 4.0761 4.0761 4.2967 4.2967 4.5714 4.5714 4.6646 4.6646 4.8083 4.8083 11.0971 11.0971 11.5903 11.5903 12.0270 12.0270 12.2330 12.2330 13.5595 13.5595 13.5934 13.5934 k = 0.0000 0.0000 0.3575 ( 2631 PWs) bands (ev): -30.6631 -30.6631 -11.9333 -11.9333 -11.5690 -11.5690 -11.5393 -11.5393 2.1672 2.1672 2.4167 2.4167 2.5050 2.5050 2.5435 2.5435 3.4886 3.4886 4.0293 4.0293 4.0635 4.0635 4.2955 4.2955 4.6026 4.6026 4.6853 4.6853 4.8027 4.8027 10.9162 10.9162 11.6625 11.6625 12.0846 12.0846 12.3147 12.3147 13.5112 13.5112 13.5563 13.5563 k = 0.0000 0.0000 0.3730 ( 2613 PWs) bands (ev): -30.6625 -30.6625 -11.9353 -11.9353 -11.5729 -11.5729 -11.5384 -11.5384 2.1731 2.1731 2.4173 2.4173 2.4994 2.4994 2.5395 2.5395 3.5342 3.5342 4.0319 4.0319 4.0512 4.0512 4.2945 4.2945 4.6385 4.6385 4.7063 4.7063 4.7971 4.7971 10.7329 10.7329 11.7363 11.7363 12.1459 12.1459 12.3988 12.3988 13.4654 13.4654 13.5173 13.5173 k = 0.0000 0.0000 0.3886 ( 2613 PWs) bands (ev): -30.6620 -30.6620 -11.9375 -11.9375 -11.5766 -11.5766 -11.5377 -11.5377 2.1788 2.1788 2.4180 2.4180 2.4937 2.4937 2.5355 2.5355 3.5777 3.5777 4.0344 4.0344 4.0391 4.0391 4.2934 4.2934 4.6797 4.6797 4.7276 4.7276 4.7915 4.7915 10.5485 10.5485 11.8116 11.8116 12.2110 12.2110 12.4852 12.4852 13.4215 13.4215 13.4782 13.4782 k = 0.0000 0.0000 0.4041 ( 2600 PWs) bands (ev): -30.6614 -30.6614 -11.9397 -11.9397 -11.5802 -11.5802 -11.5369 -11.5369 2.1844 2.1844 2.4187 2.4187 2.4880 2.4880 2.5315 2.5315 3.6185 3.6185 4.0273 4.0273 4.0369 4.0369 4.2924 4.2924 4.7265 4.7265 4.7488 4.7488 4.7861 4.7861 10.3639 10.3639 11.8881 11.8881 12.2799 12.2799 12.5735 12.5735 13.3801 13.3801 13.4402 13.4402 k = 0.0000 0.0000 0.4197 ( 2600 PWs) bands (ev): -30.6609 -30.6609 -11.9419 -11.9419 -11.5837 -11.5837 -11.5361 -11.5361 2.1897 2.1897 2.4194 2.4194 2.4823 2.4823 2.5276 2.5276 3.6564 3.6564 4.0159 4.0159 4.0394 4.0394 4.2913 4.2913 4.7700 4.7700 4.7790 4.7790 4.7807 4.7807 10.1798 10.1798 11.9659 11.9659 12.3525 12.3525 12.6636 12.6636 13.3409 13.3409 13.4035 13.4035 k = 0.0000 0.0000 0.4352 ( 2588 PWs) bands (ev): -30.6604 -30.6604 -11.9441 -11.9441 -11.5870 -11.5870 -11.5353 -11.5353 2.1947 2.1947 2.4201 2.4201 2.4766 2.4766 2.5237 2.5237 3.6910 3.6910 4.0049 4.0049 4.0417 4.0417 4.2903 4.2903 4.7756 4.7756 4.7910 4.7910 4.8374 4.8374 9.9970 9.9970 12.0449 12.0449 12.4287 12.4287 12.7550 12.7550 13.3046 13.3046 13.3686 13.3686 k = 0.0000 0.0000 0.4507 ( 2594 PWs) bands (ev): -30.6599 -30.6599 -11.9464 -11.9464 -11.5902 -11.5902 -11.5346 -11.5346 2.1995 2.1995 2.4208 2.4208 2.4710 2.4710 2.5198 2.5198 3.7222 3.7222 3.9944 3.9944 4.0440 4.0440 4.2894 4.2894 4.7705 4.7705 4.8117 4.8117 4.9016 4.9016 9.8160 9.8160 12.1250 12.1250 12.5084 12.5084 12.8472 12.8472 13.2714 13.2714 13.3354 13.3354 k = 0.0000 0.0000 0.4663 ( 2594 PWs) bands (ev): -30.6595 -30.6595 -11.9486 -11.9486 -11.5931 -11.5931 -11.5339 -11.5339 2.2041 2.2041 2.4216 2.4216 2.4656 2.4656 2.5161 2.5161 3.7501 3.7501 3.9844 3.9844 4.0462 4.0462 4.2884 4.2884 4.7657 4.7657 4.8318 4.8318 4.9714 4.9714 9.6373 9.6373 12.2062 12.2062 12.5911 12.5911 12.9386 12.9386 13.2427 13.2427 13.3042 13.3042 k = 0.0000 0.0000 0.4818 ( 2588 PWs) bands (ev): -30.6590 -30.6590 -11.9507 -11.9507 -11.5959 -11.5959 -11.5332 -11.5332 2.2084 2.2084 2.4223 2.4223 2.4603 2.4603 2.5125 2.5125 3.7747 3.7747 3.9748 3.9748 4.0482 4.0482 4.2875 4.2875 4.7612 4.7612 4.8513 4.8513 5.0462 5.0462 9.4617 9.4617 12.2887 12.2887 12.6766 12.6766 13.0250 13.0250 13.2228 13.2228 13.2750 13.2750 k = 0.0000 0.0000 0.4974 ( 2588 PWs) bands (ev): -30.6586 -30.6586 -11.9528 -11.9528 -11.5984 -11.5984 -11.5326 -11.5326 2.2125 2.2125 2.4231 2.4231 2.4553 2.4553 2.5090 2.5090 3.7963 3.7963 3.9659 3.9659 4.0501 4.0501 4.2866 4.2866 4.7568 4.7568 4.8700 4.8700 5.1255 5.1255 9.2897 9.2897 12.3724 12.3724 12.7644 12.7644 13.0892 13.0892 13.2283 13.2283 13.2478 13.2478 k = 0.0000 0.0000 0.5129 ( 2588 PWs) bands (ev): -30.6582 -30.6582 -11.9548 -11.9548 -11.6008 -11.6008 -11.5320 -11.5320 2.2162 2.2162 2.4238 2.4238 2.4504 2.4504 2.5056 2.5056 3.8150 3.8150 3.9575 3.9575 4.0519 4.0519 4.2857 4.2857 4.7528 4.7528 4.8878 4.8878 5.2085 5.2085 9.1220 9.1220 12.4573 12.4573 12.8539 12.8539 13.1054 13.1054 13.2227 13.2227 13.2852 13.2852 k = 0.0000 0.0000 0.5285 ( 2600 PWs) bands (ev): -30.6578 -30.6578 -11.9568 -11.9568 -11.6031 -11.6031 -11.5315 -11.5315 2.2196 2.2196 2.4246 2.4246 2.4459 2.4459 2.5024 2.5024 3.8311 3.8311 3.9498 3.9498 4.0536 4.0536 4.2849 4.2849 4.7490 4.7490 4.9046 4.9046 5.2945 5.2945 8.9593 8.9593 12.5433 12.5433 12.9444 12.9444 13.0946 13.0946 13.1997 13.1997 13.3719 13.3719 k = 0.0000 0.0000 0.5440 ( 2600 PWs) bands (ev): -30.6575 -30.6575 -11.9586 -11.9586 -11.6050 -11.6050 -11.5310 -11.5310 2.2228 2.2228 2.4253 2.4253 2.4417 2.4417 2.4994 2.4994 3.8449 3.8449 3.9428 3.9428 4.0551 4.0551 4.2842 4.2842 4.7455 4.7455 4.9202 4.9202 5.3823 5.3823 8.8025 8.8025 12.6304 12.6304 13.0350 13.0350 13.0780 13.0780 13.1789 13.1789 13.4673 13.4673 k = 0.0000 0.0000 0.5595 ( 2600 PWs) bands (ev): -30.6572 -30.6572 -11.9602 -11.9602 -11.6068 -11.6068 -11.5305 -11.5305 2.2256 2.2256 2.4260 2.4260 2.4379 2.4379 2.4967 2.4967 3.8566 3.8566 3.9364 3.9364 4.0565 4.0565 4.2835 4.2835 4.7424 4.7424 4.9345 4.9345 5.4708 5.4708 8.6529 8.6529 12.7182 12.7182 13.0608 13.0608 13.1245 13.1245 13.1602 13.1602 13.5654 13.5654 k = 0.0000 0.0000 0.5751 ( 2600 PWs) bands (ev): -30.6569 -30.6569 -11.9617 -11.9617 -11.6083 -11.6083 -11.5301 -11.5301 2.2281 2.2281 2.4267 2.4267 2.4344 2.4344 2.4942 2.4942 3.8664 3.8664 3.9307 3.9307 4.0577 4.0577 4.2829 4.2829 4.7395 4.7395 4.9474 4.9474 5.5583 5.5583 8.5116 8.5116 12.8064 12.8064 13.0448 13.0448 13.1437 13.1437 13.2115 13.2115 13.6640 13.6640 k = 0.0000 0.0000 0.5906 ( 2612 PWs) bands (ev): -30.6567 -30.6567 -11.9631 -11.9631 -11.6097 -11.6097 -11.5298 -11.5298 2.2303 2.2303 2.4273 2.4273 2.4313 2.4313 2.4919 2.4919 3.8745 3.8745 3.9258 3.9258 4.0587 4.0587 4.2823 4.2823 4.7371 4.7371 4.9588 4.9588 5.6432 5.6432 8.3805 8.3805 12.8941 12.8941 13.0304 13.0304 13.1293 13.1293 13.2939 13.2939 13.7617 13.7617 k = 0.0000 0.0000 0.6062 ( 2612 PWs) bands (ev): -30.6564 -30.6564 -11.9642 -11.9642 -11.6108 -11.6108 -11.5295 -11.5295 2.2321 2.2321 2.4279 2.4279 2.4287 2.4287 2.4899 2.4899 3.8811 3.8811 3.9215 3.9215 4.0596 4.0596 4.2819 4.2819 4.7350 4.7350 4.9686 4.9686 5.7231 5.7231 8.2616 8.2616 12.9805 12.9805 13.0181 13.0181 13.1172 13.1172 13.3692 13.3692 13.8571 13.8571 k = 0.0000 0.0000 0.6217 ( 2612 PWs) bands (ev): -30.6563 -30.6563 -11.9652 -11.9652 -11.6118 -11.6118 -11.5292 -11.5292 2.2337 2.2337 2.4265 2.4265 2.4283 2.4283 2.4883 2.4883 3.8863 3.8863 3.9181 3.9181 4.0604 4.0604 4.2815 4.2815 4.7332 4.7332 4.9767 4.9767 5.7953 5.7953 8.1576 8.1576 13.0079 13.0079 13.0637 13.0637 13.1072 13.1072 13.4339 13.4339 13.9479 13.9479 k = 0.0000 0.0000 0.6373 ( 2618 PWs) bands (ev): -30.6561 -30.6561 -11.9660 -11.9660 -11.6125 -11.6125 -11.5291 -11.5291 2.2349 2.2349 2.4248 2.4248 2.4287 2.4287 2.4870 2.4870 3.8903 3.8903 3.9154 3.9154 4.0609 4.0609 4.2812 4.2812 4.7318 4.7318 4.9831 4.9831 5.8568 5.8568 8.0715 8.0715 12.9999 12.9999 13.0994 13.0994 13.1408 13.1408 13.4842 13.4842 14.0308 14.0308 k = 0.0000 0.0000 0.6528 ( 2618 PWs) bands (ev): -30.6560 -30.6560 -11.9665 -11.9665 -11.6130 -11.6130 -11.5289 -11.5289 2.2357 2.2357 2.4236 2.4236 2.4290 2.4290 2.4861 2.4861 3.8930 3.8930 3.9134 3.9134 4.0613 4.0613 4.2809 4.2809 4.7309 4.7309 4.9877 4.9877 5.9041 5.9041 8.0066 8.0066 12.9942 12.9942 13.0939 13.0939 13.2068 13.2068 13.5170 13.5170 14.1006 14.1009 k = 0.0000 0.0000 0.6683 ( 2618 PWs) bands (ev): -30.6560 -30.6560 -11.9668 -11.9668 -11.6133 -11.6133 -11.5288 -11.5288 2.2362 2.2362 2.4228 2.4228 2.4292 2.4292 2.4855 2.4855 3.8947 3.8947 3.9123 3.9123 4.0616 4.0616 4.2808 4.2808 4.7303 4.7303 4.9905 4.9905 5.9341 5.9341 7.9661 7.9661 12.9907 12.9907 13.0906 13.0906 13.2537 13.2537 13.5326 13.5326 14.1115 14.1126 k = 0.0000 0.0000 0.6839 ( 2618 PWs) bands (ev): -30.6560 -30.6560 -11.9669 -11.9669 -11.6134 -11.6134 -11.5288 -11.5288 2.2364 2.2364 2.4226 2.4226 2.4293 2.4293 2.4853 2.4853 3.8952 3.8952 3.9119 3.9119 4.0617 4.0617 4.2808 4.2808 4.7301 4.7301 4.9914 4.9914 5.9444 5.9444 7.9523 7.9523 12.9896 12.9896 13.0895 13.0895 13.2712 13.2712 13.5364 13.5364 14.0996 14.0997 k = 0.0000 0.0000 0.6839 ( 2618 PWs) bands (ev): -30.6560 -30.6560 -11.9669 -11.9669 -11.6134 -11.6134 -11.5288 -11.5288 2.2364 2.2364 2.4226 2.4226 2.4293 2.4293 2.4853 2.4853 3.8952 3.8952 3.9119 3.9119 4.0617 4.0617 4.2808 4.2808 4.7301 4.7301 4.9914 4.9914 5.9444 5.9444 7.9523 7.9523 12.9896 12.9896 13.0895 13.0895 13.2712 13.2712 13.5364 13.5364 14.0996 14.0996 k = 0.0132 0.0076 0.6839 ( 2618 PWs) bands (ev): -30.6560 -30.6560 -11.9669 -11.9669 -11.6134 -11.6134 -11.5288 -11.5288 2.2363 2.2363 2.4227 2.4227 2.4289 2.4289 2.4853 2.4853 3.8937 3.8937 3.9114 3.9114 4.0644 4.0644 4.2817 4.2817 4.7298 4.7298 4.9915 4.9915 5.9448 5.9448 7.9549 7.9549 12.9459 12.9459 13.0806 13.0806 13.2684 13.2684 13.5671 13.5671 14.0956 14.0957 k = 0.0263 0.0152 0.6839 ( 2614 PWs) bands (ev): -30.6560 -30.6560 -11.9669 -11.9669 -11.6134 -11.6134 -11.5288 -11.5288 2.2361 2.2361 2.4231 2.4231 2.4278 2.4278 2.4854 2.4854 3.8889 3.8889 3.9106 3.9106 4.0723 4.0723 4.2845 4.2845 4.7288 4.7288 4.9916 4.9916 5.9459 5.9459 7.9628 7.9628 12.8389 12.8389 13.0517 13.0517 13.2590 13.2590 13.6386 13.6386 14.0844 14.0844 k = 0.0395 0.0228 0.6839 ( 2610 PWs) bands (ev): -30.6560 -30.6560 -11.9669 -11.9669 -11.6134 -11.6134 -11.5289 -11.5289 2.2357 2.2357 2.4236 2.4236 2.4260 2.4260 2.4856 2.4856 3.8808 3.8808 3.9104 3.9104 4.0843 4.0843 4.2891 4.2891 4.7274 4.7274 4.9919 4.9919 5.9479 5.9479 7.9758 7.9758 12.6999 12.6999 12.9988 12.9988 13.2496 13.2496 13.7133 13.7133 14.0752 14.0754 k = 0.0526 0.0304 0.6839 ( 2610 PWs) bands (ev): -30.6560 -30.6560 -11.9669 -11.9669 -11.6134 -11.6134 -11.5289 -11.5289 2.2352 2.2352 2.4231 2.4231 2.4248 2.4248 2.4859 2.4859 3.8702 3.8702 3.9109 3.9109 4.0993 4.0993 4.2955 4.2955 4.7254 4.7254 4.9923 4.9923 5.9507 5.9507 7.9939 7.9939 12.5439 12.5439 12.9238 12.9238 13.2462 13.2462 13.7531 13.7531 14.0932 14.0932 k = 0.0658 0.0380 0.6839 ( 2610 PWs) bands (ev): -30.6559 -30.6559 -11.9669 -11.9669 -11.6134 -11.6134 -11.5291 -11.5291 2.2345 2.2345 2.4200 2.4200 2.4257 2.4257 2.4862 2.4862 3.8582 3.8582 3.9121 3.9121 4.1167 4.1167 4.3035 4.3035 4.7230 4.7230 4.9928 4.9928 5.9543 5.9543 8.0171 8.0171 12.3779 12.3779 12.8331 12.8331 13.2494 13.2494 13.7380 13.7380 14.1400 14.1401 k = 0.0789 0.0456 0.6839 ( 2610 PWs) bands (ev): -30.6559 -30.6559 -11.9669 -11.9669 -11.6134 -11.6134 -11.5292 -11.5292 2.2337 2.2337 2.4161 2.4161 2.4270 2.4270 2.4866 2.4866 3.8453 3.8453 3.9138 3.9138 4.1358 4.1358 4.3130 4.3130 4.7204 4.7204 4.9935 4.9935 5.9589 5.9589 8.0451 8.0451 12.2053 12.2053 12.7327 12.7327 13.2576 13.2576 13.6839 13.6839 14.1539 14.1539 k = 0.0921 0.0532 0.6839 ( 2610 PWs) bands (ev): -30.6559 -30.6559 -11.9669 -11.9669 -11.6135 -11.6135 -11.5293 -11.5293 2.2329 2.2329 2.4116 2.4116 2.4285 2.4285 2.4870 2.4870 3.8321 3.8321 3.9159 3.9159 4.1562 4.1562 4.3240 4.3240 4.7176 4.7176 4.9942 4.9942 5.9643 5.9643 8.0780 8.0780 12.0286 12.0286 12.6269 12.6269 13.2698 13.2698 13.6101 13.6101 14.1614 14.1615 k = 0.1053 0.0608 0.6839 ( 2612 PWs) bands (ev): -30.6559 -30.6559 -11.9669 -11.9669 -11.6135 -11.6135 -11.5295 -11.5295 2.2319 2.2319 2.4066 2.4066 2.4302 2.4302 2.4874 2.4874 3.8187 3.8187 3.9184 3.9184 4.1775 4.1775 4.3361 4.3361 4.7150 4.7150 4.9950 4.9950 5.9708 5.9708 8.1154 8.1154 11.8493 11.8493 12.5182 12.5182 13.2853 13.2853 13.5260 13.5260 14.1695 14.1695 k = 0.1184 0.0684 0.6839 ( 2614 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6135 -11.6135 -11.5297 -11.5297 2.2308 2.2308 2.4010 2.4010 2.4321 2.4321 2.4879 2.4879 3.8054 3.8054 3.9213 3.9213 4.1996 4.1996 4.3493 4.3493 4.7126 4.7126 4.9959 4.9959 5.9783 5.9783 8.1572 8.1572 11.6685 11.6685 12.4084 12.4084 13.3036 13.3036 13.4362 13.4362 14.1785 14.1785 k = 0.1316 0.0760 0.6839 ( 2618 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6136 -11.6136 -11.5299 -11.5299 2.2296 2.2296 2.3950 2.3950 2.4342 2.4342 2.4885 2.4885 3.7922 3.7922 3.9246 3.9246 4.2223 4.2223 4.3633 4.3633 4.7107 4.7107 4.9970 4.9970 5.9869 5.9869 8.2033 8.2033 11.4874 11.4874 12.2986 12.2986 13.3206 13.3206 13.3466 13.3466 14.1885 14.1885 k = 0.1447 0.0836 0.6839 ( 2618 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6136 -11.6136 -11.5301 -11.5301 2.2284 2.2284 2.3886 2.3886 2.4364 2.4364 2.4890 2.4890 3.7793 3.7793 3.9282 3.9282 4.2455 4.2455 4.3778 4.3778 4.7095 4.7095 4.9981 4.9981 5.9967 5.9967 8.2535 8.2535 11.3064 11.3064 12.1896 12.1896 13.2443 13.2443 13.3506 13.3506 14.1996 14.1996 k = 0.1579 0.0912 0.6839 ( 2614 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6137 -11.6137 -11.5303 -11.5303 2.2272 2.2272 2.3818 2.3818 2.4387 2.4387 2.4895 2.4895 3.7668 3.7668 3.9322 3.9322 4.2689 4.2689 4.3926 4.3926 4.7094 4.7094 4.9994 4.9994 6.0078 6.0078 8.3075 8.3075 11.1264 11.1264 12.0819 12.0819 13.1474 13.1474 13.3765 13.3765 14.2117 14.2117 k = 0.1711 0.0988 0.6839 ( 2618 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6137 -11.6137 -11.5306 -11.5306 2.2259 2.2259 2.3747 2.3747 2.4412 2.4412 2.4901 2.4901 3.7545 3.7545 3.9364 3.9364 4.2925 4.2925 4.4073 4.4073 4.7104 4.7104 5.0009 5.0009 6.0202 6.0202 8.3652 8.3652 10.9478 10.9478 11.9757 11.9757 13.0494 13.0494 13.4050 13.4050 14.2245 14.2245 k = 0.1842 0.1064 0.6839 ( 2614 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6138 -11.6138 -11.5308 -11.5308 2.2247 2.2247 2.3674 2.3674 2.4437 2.4437 2.4906 2.4906 3.7426 3.7426 3.9410 3.9410 4.3161 4.3161 4.4218 4.4218 4.7131 4.7131 5.0025 5.0025 6.0341 6.0341 8.4263 8.4263 10.7709 10.7709 11.8715 11.8715 12.9512 12.9512 13.4360 13.4360 14.2383 14.2383 k = 0.1974 0.1140 0.6839 ( 2618 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6138 -11.6138 -11.5311 -11.5311 2.2234 2.2234 2.3600 2.3600 2.4462 2.4462 2.4912 2.4912 3.7311 3.7311 3.9458 3.9458 4.3396 4.3396 4.4357 4.4357 4.7175 4.7175 5.0042 5.0042 6.0495 6.0495 8.4907 8.4907 10.5961 10.5961 11.7695 11.7695 12.8530 12.8530 13.4692 13.4692 14.2528 14.2528 k = 0.2105 0.1215 0.6839 ( 2620 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6139 -11.6139 -11.5313 -11.5313 2.2222 2.2222 2.3524 2.3524 2.4488 2.4488 2.4917 2.4917 3.7200 3.7200 3.9508 3.9508 4.3627 4.3627 4.4488 4.4488 4.7238 4.7238 5.0062 5.0062 6.0665 6.0665 8.5580 8.5580 10.4239 10.4239 11.6700 11.6700 12.7552 12.7552 13.5047 13.5047 14.2679 14.2679 k = 0.2237 0.1291 0.6839 ( 2616 PWs) bands (ev): -30.6558 -30.6558 -11.9670 -11.9670 -11.6139 -11.6139 -11.5316 -11.5316 2.2211 2.2211 2.3447 2.3447 2.4514 2.4514 2.4922 2.4922 3.7094 3.7094 3.9559 3.9559 4.3853 4.3853 4.4610 4.4610 4.7323 4.7323 5.0083 5.0083 6.0853 6.0853 8.6281 8.6281 10.2544 10.2544 11.5731 11.5731 12.6579 12.6579 13.5423 13.5423 14.2837 14.2837 k = 0.2368 0.1367 0.6839 ( 2612 PWs) bands (ev): -30.6558 -30.6558 -11.9670 -11.9670 -11.6140 -11.6140 -11.5318 -11.5318 2.2200 2.2200 2.3371 2.3371 2.4539 2.4539 2.4928 2.4928 3.6992 3.6992 3.9612 3.9612 4.4071 4.4071 4.4723 4.4723 4.7428 4.7428 5.0107 5.0107 6.1059 6.1059 8.7007 8.7007 10.0879 10.0879 11.4790 11.4790 12.5614 12.5614 13.5819 13.5819 14.3000 14.3000 k = 0.2500 0.1443 0.6839 ( 2620 PWs) bands (ev): -30.6558 -30.6558 -11.9671 -11.9671 -11.6140 -11.6140 -11.5322 -11.5322 2.2190 2.2190 2.3294 2.3294 2.4564 2.4564 2.4933 2.4933 3.6894 3.6894 3.9665 3.9665 4.4277 4.4277 4.4829 4.4829 4.7554 4.7554 5.0133 5.0133 6.1284 6.1284 8.7754 8.7754 9.9248 9.9248 11.3878 11.3878 12.4657 12.4657 13.6234 13.6234 14.3165 14.3165 k = 0.2632 0.1519 0.6839 ( 2620 PWs) bands (ev): -30.6558 -30.6558 -11.9671 -11.9671 -11.6141 -11.6141 -11.5324 -11.5324 2.2180 2.2180 2.3218 2.3218 2.4587 2.4587 2.4939 2.4939 3.6801 3.6801 3.9719 3.9719 4.4465 4.4465 4.4935 4.4935 4.7698 4.7698 5.0161 5.0161 6.1530 6.1530 8.8519 8.8519 9.7654 9.7654 11.2998 11.2998 12.3709 12.3709 13.6669 13.6669 14.3334 14.3334 k = 0.2763 0.1595 0.6839 ( 2624 PWs) bands (ev): -30.6558 -30.6558 -11.9671 -11.9671 -11.6142 -11.6142 -11.5327 -11.5327 2.2172 2.2172 2.3144 2.3144 2.4608 2.4608 2.4946 2.4946 3.6713 3.6713 3.9772 3.9772 4.4627 4.4627 4.5048 4.5048 4.7857 4.7857 5.0192 5.0192 6.1797 6.1797 8.9294 8.9294 9.6105 9.6105 11.2151 11.2151 12.2771 12.2771 13.7122 13.7122 14.3505 14.3505 k = 0.2895 0.1671 0.6839 ( 2632 PWs) bands (ev): -30.6558 -30.6558 -11.9672 -11.9672 -11.6143 -11.6143 -11.5330 -11.5330 2.2165 2.2165 2.3070 2.3070 2.4628 2.4628 2.4954 2.4954 3.6630 3.6630 3.9825 3.9825 4.4754 4.4754 4.5176 4.5176 4.8029 4.8029 5.0224 5.0224 6.2087 6.2087 9.0062 9.0062 9.4619 9.4619 11.1339 11.1339 12.1843 12.1843 13.7591 13.7591 14.3676 14.3676 k = 0.3026 0.1747 0.6839 ( 2636 PWs) bands (ev): -30.6558 -30.6558 -11.9672 -11.9672 -11.6143 -11.6143 -11.5333 -11.5333 2.2159 2.2159 2.2999 2.2999 2.4645 2.4645 2.4962 2.4962 3.6552 3.6552 3.9876 3.9876 4.4848 4.4848 4.5320 4.5320 4.8210 4.8210 5.0259 5.0259 6.2399 6.2399 9.0753 9.0753 9.3264 9.3264 11.0563 11.0563 12.0926 12.0926 13.8077 13.8077 14.3847 14.3847 k = 0.3158 0.1823 0.6839 ( 2632 PWs) bands (ev): -30.6558 -30.6558 -11.9672 -11.9672 -11.6143 -11.6143 -11.5336 -11.5336 2.2154 2.2154 2.2930 2.2930 2.4659 2.4659 2.4972 2.4972 3.6479 3.6479 3.9926 3.9926 4.4918 4.4918 4.5472 4.5472 4.8396 4.8396 5.0295 5.0295 6.2735 6.2735 9.0879 9.0879 9.2527 9.2527 10.9825 10.9825 12.0020 12.0020 13.8577 13.8577 14.4016 14.4016 k = 0.3289 0.1899 0.6839 ( 2632 PWs) bands (ev): -30.6558 -30.6558 -11.9672 -11.9672 -11.6144 -11.6144 -11.5338 -11.5338 2.2151 2.2151 2.2863 2.2863 2.4671 2.4671 2.4983 2.4983 3.6410 3.6410 3.9974 3.9974 4.4971 4.4971 4.5623 4.5623 4.8585 4.8585 5.0332 5.0332 6.3094 6.3094 8.9877 8.9877 9.2973 9.2973 10.9126 10.9126 11.9126 11.9126 13.9089 13.9089 14.4182 14.4182 k = 0.3421 0.1975 0.6839 ( 2634 PWs) bands (ev): -30.6558 -30.6558 -11.9672 -11.9672 -11.6145 -11.6145 -11.5341 -11.5341 2.2149 2.2149 2.2799 2.2799 2.4679 2.4679 2.4995 2.4995 3.6347 3.6347 4.0020 4.0020 4.5014 4.5014 4.5768 4.5768 4.8773 4.8773 5.0369 5.0369 6.3477 6.3477 8.8604 8.8604 9.3744 9.3744 10.8467 10.8467 11.8244 11.8244 13.9611 13.9611 14.4344 14.4344 k = 0.3553 0.2051 0.6839 ( 2634 PWs) bands (ev): -30.6557 -30.6557 -11.9672 -11.9672 -11.6145 -11.6145 -11.5343 -11.5343 2.2149 2.2149 2.2738 2.2738 2.4686 2.4686 2.5007 2.5007 3.6289 3.6289 4.0063 4.0063 4.5050 4.5050 4.5903 4.5903 4.8958 4.8958 5.0407 5.0407 6.3882 6.3882 8.7322 8.7322 9.4577 9.4577 10.7850 10.7850 11.7376 11.7376 14.0142 14.0142 14.4499 14.4499 k = 0.3684 0.2127 0.6839 ( 2630 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6145 -11.6145 -11.5345 -11.5345 2.2150 2.2150 2.2679 2.2679 2.4690 2.4690 2.5020 2.5020 3.6237 3.6237 4.0103 4.0103 4.5082 4.5082 4.6028 4.6028 4.9137 4.9137 5.0443 5.0443 6.4308 6.4308 8.6074 8.6074 9.5429 9.5429 10.7275 10.7275 11.6522 11.6522 14.0678 14.0678 14.4646 14.4646 k = 0.3816 0.2203 0.6839 ( 2622 PWs) bands (ev): -30.6557 -30.6557 -11.9672 -11.9672 -11.6145 -11.6145 -11.5346 -11.5346 2.2154 2.2154 2.2624 2.2624 2.4692 2.4692 2.5033 2.5033 3.6189 3.6189 4.0140 4.0140 4.5109 4.5109 4.6142 4.6142 4.9309 4.9309 5.0477 5.0477 6.4751 6.4751 8.4875 8.4875 9.6288 9.6288 10.6742 10.6742 11.5686 11.5686 14.1215 14.1215 14.4784 14.4784 k = 0.3947 0.2279 0.6839 ( 2624 PWs) bands (ev): -30.6557 -30.6557 -11.9672 -11.9672 -11.6146 -11.6146 -11.5348 -11.5348 2.2159 2.2159 2.2572 2.2572 2.4693 2.4693 2.5046 2.5046 3.6147 3.6147 4.0173 4.0173 4.5133 4.5133 4.6242 4.6242 4.9470 4.9470 5.0508 5.0508 6.5209 6.5209 8.3734 8.3734 9.7143 9.7143 10.6251 10.6251 11.4872 11.4872 14.1749 14.1749 14.4910 14.4910 k = 0.4079 0.2355 0.6839 ( 2624 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6146 -11.6146 -11.5350 -11.5350 2.2165 2.2165 2.2524 2.2524 2.4693 2.4693 2.5058 2.5058 3.6110 3.6110 4.0203 4.0203 4.5155 4.5155 4.6331 4.6331 4.9621 4.9621 5.0534 5.0534 6.5674 6.5674 8.2662 8.2662 9.7988 9.7988 10.5801 10.5801 11.4085 11.4085 14.2272 14.2272 14.5022 14.5022 k = 0.4211 0.2431 0.6839 ( 2620 PWs) bands (ev): -30.6557 -30.6557 -11.9672 -11.9672 -11.6146 -11.6146 -11.5351 -11.5351 2.2174 2.2174 2.2479 2.2479 2.4692 2.4692 2.5070 2.5070 3.6078 3.6078 4.0229 4.0229 4.5174 4.5174 4.6407 4.6407 4.9758 4.9758 5.0556 5.0556 6.6138 6.6138 8.1668 8.1668 9.8815 9.8815 10.5388 10.5388 11.3334 11.3334 14.2778 14.2778 14.5115 14.5115 k = 0.4342 0.2507 0.6839 ( 2626 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5353 -11.5353 2.2185 2.2185 2.2437 2.2437 2.4690 2.4690 2.5080 2.5080 3.6050 3.6050 4.0251 4.0251 4.5190 4.5190 4.6470 4.6470 4.9881 4.9881 5.0572 5.0572 6.6589 6.6589 8.0767 8.0767 9.9615 9.9615 10.5008 10.5008 11.2632 11.2632 14.3255 14.3255 14.5180 14.5180 k = 0.4474 0.2583 0.6839 ( 2630 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5354 -11.5354 2.2198 2.2198 2.2398 2.2398 2.4689 2.4689 2.5088 2.5088 3.6028 3.6028 4.0269 4.0269 4.5204 4.5204 4.6522 4.6522 4.9987 4.9987 5.0582 5.0582 6.7010 6.7010 7.9975 7.9975 10.0375 10.0375 10.4655 10.4655 11.1996 11.1996 14.3689 14.3689 14.5186 14.5187 k = 0.4605 0.2659 0.6839 ( 2628 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5354 -11.5354 2.2214 2.2214 2.2363 2.2363 2.4688 2.4688 2.5095 2.5095 3.6011 3.6011 4.0283 4.0283 4.5214 4.5214 4.6562 4.6562 5.0075 5.0075 5.0586 5.0586 6.7380 6.7380 7.9316 7.9316 10.1080 10.1080 10.4318 10.4318 11.1450 11.1450 14.4063 14.4063 14.5088 14.5088 k = 0.4737 0.2735 0.6839 ( 2636 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5355 -11.5355 2.2232 2.2232 2.2331 2.2331 2.4686 2.4686 2.5099 2.5099 3.5999 3.5999 4.0294 4.0294 4.5222 4.5222 4.6590 4.6590 5.0142 5.0142 5.0586 5.0586 6.7674 6.7674 7.8816 7.8816 10.1705 10.1705 10.3992 10.3992 11.1025 11.1025 14.4357 14.4357 14.4942 14.4942 k = 0.4868 0.2811 0.6839 ( 2632 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5355 -11.5355 2.2252 2.2252 2.2302 2.2302 2.4686 2.4686 2.5102 2.5102 3.5991 3.5991 4.0300 4.0300 4.5227 4.5227 4.6607 4.6607 5.0184 5.0184 5.0584 5.0584 6.7864 6.7864 7.8502 7.8502 10.2203 10.2203 10.3692 10.3692 11.0752 11.0752 14.4548 14.4548 14.4835 14.4836 k = 0.5000 0.2887 0.6839 ( 2640 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6148 -11.6148 -11.5356 -11.5356 2.2274 2.2274 2.2277 2.2277 2.4685 2.4685 2.5103 2.5103 3.5989 3.5989 4.0302 4.0302 4.5228 4.5228 4.6612 4.6612 5.0199 5.0199 5.0583 5.0583 6.7930 6.7930 7.8394 7.8394 10.2425 10.2425 10.3539 10.3539 11.0657 11.0657 14.4617 14.4617 14.4795 14.4795 k = 0.5000 0.2887 0.6839 ( 2640 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6148 -11.6148 -11.5356 -11.5356 2.2274 2.2274 2.2277 2.2277 2.4685 2.4685 2.5103 2.5103 3.5989 3.5989 4.0302 4.0302 4.5228 4.5228 4.6612 4.6612 5.0199 5.0199 5.0583 5.0583 6.7930 6.7930 7.8394 7.8394 10.2425 10.2425 10.3539 10.3539 11.0657 11.0657 14.4617 14.4617 14.4795 14.4795 k = 0.4924 0.3018 0.6839 ( 2632 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5356 -11.5356 2.2235 2.2235 2.2314 2.2314 2.4684 2.4684 2.5105 2.5105 3.5995 3.5995 4.0299 4.0299 4.5222 4.5222 4.6619 4.6619 5.0178 5.0178 5.0610 5.0610 6.7934 6.7934 7.8378 7.8378 10.2414 10.2414 10.3548 10.3548 11.0654 11.0654 14.4601 14.4601 14.4802 14.4802 k = 0.4848 0.3149 0.6839 ( 2636 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6148 -11.6148 -11.5356 -11.5356 2.2193 2.2193 2.2351 2.2351 2.4680 2.4680 2.5111 2.5111 3.6014 3.6014 4.0291 4.0291 4.5202 4.5202 4.6640 4.6640 5.0129 5.0129 5.0680 5.0680 6.7945 6.7945 7.8330 7.8330 10.2382 10.2382 10.3572 10.3572 11.0646 11.0646 14.4562 14.4562 14.4815 14.4815 k = 0.4773 0.3280 0.6839 ( 2632 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5356 -11.5356 2.2150 2.2150 2.2386 2.2386 2.4673 2.4673 2.5120 2.5120 3.6044 3.6044 4.0278 4.0278 4.5172 4.5172 4.6673 4.6673 5.0069 5.0069 5.0774 5.0774 6.7963 6.7963 7.8251 7.8251 10.2330 10.2330 10.3612 10.3612 11.0632 11.0632 14.4510 14.4510 14.4826 14.4826 k = 0.4697 0.3412 0.6839 ( 2632 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5356 -11.5356 2.2105 2.2105 2.2418 2.2418 2.4664 2.4664 2.5133 2.5133 3.6086 3.6086 4.0260 4.0260 4.5131 4.5131 4.6715 4.6715 5.0008 5.0008 5.0882 5.0882 6.7990 6.7990 7.8140 7.8140 10.2261 10.2261 10.3666 10.3666 11.0612 11.0612 14.4452 14.4452 14.4829 14.4829 k = 0.4621 0.3543 0.6839 ( 2628 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5356 -11.5356 2.2059 2.2059 2.2449 2.2449 2.4652 2.4652 2.5149 2.5149 3.6139 3.6139 4.0237 4.0237 4.5084 4.5084 4.6766 4.6766 4.9950 4.9950 5.1000 5.1000 6.8026 6.8026 7.7997 7.7997 10.2176 10.2176 10.3733 10.3733 11.0587 11.0587 14.4391 14.4391 14.4824 14.4824 k = 0.4545 0.3674 0.6839 ( 2628 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5357 -11.5357 2.2014 2.2014 2.2478 2.2478 2.4637 2.4637 2.5169 2.5169 3.6202 3.6202 4.0210 4.0210 4.5031 4.5031 4.6823 4.6823 4.9897 4.9897 5.1124 5.1124 6.8072 6.8072 7.7825 7.7825 10.2078 10.2078 10.3811 10.3811 11.0555 11.0555 14.4330 14.4331 14.4814 14.4814 k = 0.4470 0.3805 0.6839 ( 2628 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5357 -11.5357 2.1968 2.1968 2.2505 2.2505 2.4621 2.4621 2.5190 2.5190 3.6272 3.6272 4.0179 4.0179 4.4974 4.4974 4.6884 4.6884 4.9850 4.9850 5.1253 5.1253 6.8129 6.8129 7.7623 7.7623 10.1968 10.1968 10.3902 10.3902 11.0516 11.0516 14.4271 14.4271 14.4803 14.4803 k = 0.4394 0.3936 0.6839 ( 2628 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6148 -11.6148 -11.5358 -11.5358 2.1922 2.1922 2.2530 2.2530 2.4602 2.4602 2.5214 2.5214 3.6350 3.6350 4.0144 4.0144 4.4916 4.4916 4.6948 4.6948 4.9808 4.9808 5.1385 5.1385 6.8198 6.8198 7.7391 7.7391 10.1849 10.1849 10.4004 10.4004 11.0470 11.0470 14.4210 14.4210 14.4798 14.4798 k = 0.4318 0.4068 0.6839 ( 2632 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6148 -11.6148 -11.5358 -11.5358 2.1877 2.1877 2.2553 2.2553 2.4582 2.4582 2.5239 2.5239 3.6434 3.6434 4.0107 4.0107 4.4857 4.4857 4.7012 4.7012 4.9772 4.9772 5.1520 5.1520 6.8281 6.8281 7.7132 7.7132 10.1723 10.1723 10.4119 10.4119 11.0416 11.0416 14.4143 14.4143 14.4808 14.4808 k = 0.4242 0.4199 0.6839 ( 2632 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6148 -11.6148 -11.5359 -11.5359 2.1834 2.1834 2.2574 2.2574 2.4562 2.4562 2.5265 2.5265 3.6521 3.6521 4.0068 4.0068 4.4800 4.4800 4.7077 4.7077 4.9741 4.9741 5.1655 5.1655 6.8381 6.8381 7.6845 7.6845 10.1591 10.1591 10.4247 10.4247 11.0352 11.0352 14.4068 14.4068 14.4842 14.4842 k = 0.4167 0.4330 0.6839 ( 2628 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6148 -11.6148 -11.5359 -11.5359 2.1792 2.1792 2.2593 2.2593 2.4541 2.4541 2.5292 2.5292 3.6611 3.6611 4.0028 4.0028 4.4744 4.4744 4.7140 4.7140 4.9716 4.9716 5.1788 5.1788 6.8498 6.8498 7.6533 7.6533 10.1455 10.1455 10.4389 10.4389 11.0278 11.0278 14.3979 14.3979 14.4908 14.4908 k = 0.4091 0.4461 0.6839 ( 2632 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6148 -11.6148 -11.5360 -11.5360 2.1753 2.1753 2.2611 2.2611 2.4519 2.4519 2.5318 2.5318 3.6701 3.6701 3.9987 3.9987 4.4691 4.4691 4.7201 4.7201 4.9695 4.9695 5.1920 5.1920 6.8635 6.8635 7.6196 7.6196 10.1319 10.1319 10.4545 10.4545 11.0191 11.0191 14.3877 14.3877 14.5008 14.5008 k = 0.4015 0.4593 0.6839 ( 2636 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6148 -11.6148 -11.5361 -11.5361 2.1716 2.1716 2.2626 2.2626 2.4499 2.4499 2.5343 2.5343 3.6789 3.6789 3.9947 3.9947 4.4642 4.4642 4.7259 4.7259 4.9679 4.9679 5.2047 5.2047 6.8794 6.8794 7.5835 7.5835 10.1184 10.1184 10.4715 10.4715 11.0090 11.0090 14.3762 14.3762 14.5146 14.5146 k = 0.3939 0.4724 0.6839 ( 2644 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6149 -11.6149 -11.5362 -11.5362 2.1681 2.1681 2.2640 2.2640 2.4479 2.4479 2.5366 2.5366 3.6874 3.6874 3.9908 3.9908 4.4597 4.4597 4.7313 4.7313 4.9667 4.9667 5.2168 5.2168 6.8979 6.8979 7.5452 7.5452 10.1053 10.1053 10.4899 10.4899 10.9974 10.9974 14.3638 14.3638 14.5321 14.5321 k = 0.3864 0.4855 0.6839 ( 2644 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6149 -11.6149 -11.5363 -11.5363 2.1650 2.1650 2.2652 2.2652 2.4461 2.4461 2.5388 2.5388 3.6953 3.6953 3.9871 3.9871 4.4557 4.4557 4.7363 4.7363 4.9658 4.9658 5.2281 5.2281 6.9191 6.9191 7.5050 7.5050 10.0930 10.0930 10.5098 10.5098 10.9841 10.9841 14.3509 14.3509 14.5533 14.5533 k = 0.3788 0.4986 0.6839 ( 2640 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6149 -11.6149 -11.5363 -11.5363 2.1623 2.1623 2.2663 2.2663 2.4445 2.4445 2.5408 2.5408 3.7025 3.7025 3.9838 3.9838 4.4522 4.4522 4.7408 4.7408 4.9652 4.9652 5.2384 5.2384 6.9433 6.9433 7.4628 7.4628 10.0817 10.0817 10.5309 10.5309 10.9691 10.9691 14.3378 14.3378 14.5781 14.5781 k = 0.3712 0.5117 0.6839 ( 2638 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6149 -11.6149 -11.5363 -11.5363 2.1599 2.1599 2.2671 2.2671 2.4430 2.4430 2.5425 2.5425 3.7088 3.7088 3.9809 3.9809 4.4493 4.4493 4.7447 4.7447 4.9648 4.9648 5.2475 5.2475 6.9707 6.9707 7.4191 7.4191 10.0716 10.0716 10.5530 10.5530 10.9525 10.9525 14.3251 14.3251 14.6062 14.6062 k = 0.3636 0.5249 0.6839 ( 2642 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6149 -11.6149 -11.5364 -11.5364 2.1580 2.1580 2.2678 2.2678 2.4418 2.4418 2.5439 2.5439 3.7141 3.7141 3.9785 3.9785 4.4469 4.4469 4.7480 4.7480 4.9646 4.9646 5.2553 5.2553 7.0015 7.0015 7.3739 7.3739 10.0630 10.0630 10.5756 10.5756 10.9345 10.9345 14.3134 14.3134 14.6373 14.6373 k = 0.3561 0.5380 0.6839 ( 2642 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6149 -11.6149 -11.5365 -11.5365 2.1564 2.1564 2.2683 2.2683 2.4409 2.4409 2.5451 2.5451 3.7182 3.7182 3.9766 3.9766 4.4451 4.4451 4.7507 4.7507 4.9645 4.9645 5.2616 5.2616 7.0357 7.0357 7.3279 7.3279 10.0561 10.0561 10.5978 10.5978 10.9159 10.9159 14.3033 14.3033 14.6712 14.6712 k = 0.3485 0.5511 0.6839 ( 2642 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6149 -11.6149 -11.5365 -11.5365 2.1553 2.1553 2.2686 2.2686 2.4402 2.4402 2.5459 2.5459 3.7212 3.7212 3.9753 3.9753 4.4438 4.4438 4.7526 4.7526 4.9645 4.9645 5.2663 5.2663 7.0729 7.0729 7.2817 7.2817 10.0511 10.0511 10.6179 10.6179 10.8984 10.8984 14.2954 14.2954 14.7072 14.7072 k = 0.3409 0.5642 0.6839 ( 2634 PWs) bands (ev): -30.6556 -30.6556 -11.9674 -11.9674 -11.6148 -11.6148 -11.5365 -11.5365 2.1546 2.1546 2.2688 2.2688 2.4398 2.4398 2.5464 2.5464 3.7229 3.7229 3.9745 3.9745 4.4431 4.4431 4.7538 4.7538 4.9646 4.9646 5.2691 5.2691 7.1106 7.1106 7.2384 7.2384 10.0481 10.0481 10.6330 10.6330 10.8847 10.8847 14.2902 14.2902 14.7432 14.7432 k = 0.3333 0.5774 0.6839 ( 2634 PWs) bands (ev): -30.6556 -30.6556 -11.9674 -11.9674 -11.6148 -11.6148 -11.5365 -11.5365 2.1544 2.1544 2.2689 2.2689 2.4397 2.4397 2.5465 2.5465 3.7235 3.7235 3.9743 3.9743 4.4429 4.4429 4.7542 4.7542 4.9646 4.9646 5.2701 5.2701 7.1331 7.1331 7.2139 7.2139 10.0471 10.0471 10.6390 10.6390 10.8792 10.8792 14.2884 14.2884 14.7651 14.7653 k = 0.3333 0.5774 0.6839 ( 2634 PWs) bands (ev): -30.6556 -30.6556 -11.9674 -11.9674 -11.6148 -11.6148 -11.5365 -11.5365 2.1544 2.1544 2.2689 2.2689 2.4397 2.4397 2.5465 2.5465 3.7235 3.7235 3.9743 3.9743 4.4429 4.4429 4.7542 4.7542 4.9646 4.9646 5.2701 5.2701 7.1331 7.1331 7.2139 7.2139 10.0471 10.0471 10.6390 10.6390 10.8792 10.8792 14.2884 14.2884 14.7651 14.7654 k = 0.3256 0.5639 0.6839 ( 2630 PWs) bands (ev): -30.6556 -30.6556 -11.9674 -11.9674 -11.6148 -11.6148 -11.5364 -11.5364 2.1547 2.1547 2.2688 2.2688 2.4398 2.4398 2.5464 2.5464 3.7229 3.7229 3.9745 3.9745 4.4431 4.4431 4.7538 4.7538 4.9646 4.9646 5.2690 5.2690 7.1076 7.1076 7.2416 7.2416 10.0481 10.0481 10.6319 10.6319 10.8859 10.8859 14.2905 14.2905 14.7408 14.7408 k = 0.3178 0.5505 0.6839 ( 2632 PWs) bands (ev): -30.6556 -30.6556 -11.9674 -11.9674 -11.6148 -11.6148 -11.5364 -11.5364 2.1554 2.1554 2.2687 2.2687 2.4402 2.4402 2.5459 2.5459 3.7213 3.7213 3.9751 3.9751 4.4437 4.4437 4.7525 4.7525 4.9644 4.9644 5.2660 5.2660 7.0610 7.0610 7.2949 7.2949 10.0508 10.0508 10.6112 10.6112 10.9060 10.9060 14.2969 14.2969 14.6978 14.6978 k = 0.3101 0.5371 0.6839 ( 2632 PWs) bands (ev): -30.6556 -30.6556 -11.9674 -11.9674 -11.6148 -11.6148 -11.5364 -11.5364 2.1565 2.1565 2.2684 2.2684 2.4409 2.4409 2.5450 2.5450 3.7188 3.7188 3.9761 3.9761 4.4447 4.4447 4.7502 4.7502 4.9640 4.9640 5.2608 5.2608 7.0103 7.0103 7.3573 7.3573 10.0545 10.0545 10.5802 10.5802 10.9370 10.9370 14.3079 14.3079 14.6508 14.6508 k = 0.3023 0.5236 0.6839 ( 2632 PWs) bands (ev): -30.6556 -30.6556 -11.9674 -11.9674 -11.6148 -11.6148 -11.5363 -11.5363 2.1581 2.1581 2.2682 2.2682 2.4419 2.4419 2.5438 2.5438 3.7156 3.7156 3.9772 3.9772 4.4459 4.4459 4.7471 4.7471 4.9634 4.9634 5.2536 5.2536 6.9583 6.9583 7.4261 7.4261 10.0583 10.0583 10.5433 10.5433 10.9759 10.9759 14.3234 14.3234 14.6019 14.6019 k = 0.2946 0.5102 0.6839 ( 2648 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6149 -11.6149 -11.5364 -11.5364 2.1601 2.1601 2.2679 2.2679 2.4430 2.4430 2.5423 2.5423 3.7119 3.7119 3.9784 3.9784 4.4473 4.4473 4.7430 4.7430 4.9625 4.9625 5.2446 5.2446 6.9059 6.9059 7.5007 7.5007 10.0602 10.0602 10.5046 10.5046 11.0206 11.0206 14.3429 14.3429 14.5520 14.5520 k = 0.2868 0.4968 0.6839 ( 2644 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6148 -11.6148 -11.5363 -11.5363 2.1625 2.1625 2.2676 2.2676 2.4444 2.4444 2.5405 2.5405 3.7077 3.7077 3.9797 3.9797 4.4488 4.4488 4.7380 4.7380 4.9612 4.9612 5.2337 5.2337 6.8536 6.8536 7.5808 7.5808 10.0574 10.0574 10.4687 10.4687 11.0700 11.0700 14.3650 14.3650 14.5025 14.5025 k = 0.2791 0.4834 0.6839 ( 2656 PWs) bands (ev): -30.6557 -30.6557 -11.9675 -11.9675 -11.6149 -11.6149 -11.5362 -11.5362 2.1653 2.1653 2.2674 2.2674 2.4460 2.4460 2.5385 2.5385 3.7033 3.7033 3.9809 3.9809 4.4504 4.4504 4.7320 4.7320 4.9595 4.9595 5.2211 5.2211 6.8017 6.8017 7.6664 7.6664 10.0457 10.0457 10.4408 10.4408 11.1233 11.1233 14.3838 14.3838 14.4588 14.4588 k = 0.2713 0.4699 0.6839 ( 2652 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6148 -11.6148 -11.5361 -11.5361 2.1684 2.1684 2.2674 2.2674 2.4477 2.4477 2.5362 2.5362 3.6988 3.6988 3.9820 3.9820 4.4519 4.4519 4.7250 4.7250 4.9572 4.9572 5.2071 5.2071 6.7505 6.7505 7.7572 7.7572 10.0213 10.0213 10.4255 10.4255 11.1801 11.1801 14.3714 14.3714 14.4475 14.4475 k = 0.2636 0.4565 0.6839 ( 2646 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6148 -11.6148 -11.5359 -11.5359 2.1718 2.1718 2.2675 2.2675 2.4495 2.4495 2.5336 2.5336 3.6945 3.6945 3.9829 3.9829 4.4534 4.4534 4.7170 4.7170 4.9543 4.9543 5.1918 5.1918 6.7000 6.7000 7.8533 7.8533 9.9824 9.9824 10.4253 10.4253 11.2400 11.2400 14.3266 14.3266 14.4680 14.4680 k = 0.2558 0.4431 0.6839 ( 2638 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6147 -11.6147 -11.5358 -11.5358 2.1754 2.1754 2.2679 2.2679 2.4514 2.4514 2.5309 2.5309 3.6903 3.6903 3.9835 3.9835 4.4547 4.4547 4.7080 4.7080 4.9506 4.9506 5.1756 5.1756 6.6506 6.6506 7.9545 7.9545 9.9302 9.9302 10.4397 10.4397 11.3030 11.3030 14.2750 14.2750 14.4919 14.4919 k = 0.2481 0.4297 0.6839 ( 2632 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5356 -11.5356 2.1791 2.1791 2.2686 2.2686 2.4533 2.4533 2.5280 2.5280 3.6864 3.6864 3.9839 3.9839 4.4559 4.4559 4.6980 4.6980 4.9461 4.9461 5.1587 5.1587 6.6025 6.6025 8.0607 8.0607 9.8675 9.8675 10.4661 10.4661 11.3688 11.3688 14.2220 14.2220 14.5106 14.5106 k = 0.2403 0.4162 0.6839 ( 2628 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6146 -11.6146 -11.5354 -11.5354 2.1830 2.1830 2.2696 2.2696 2.4551 2.4551 2.5250 2.5250 3.6830 3.6830 3.9840 3.9840 4.4569 4.4569 4.6869 4.6869 4.9404 4.9404 5.1415 5.1415 6.5556 6.5556 8.1718 8.1718 9.7973 9.7973 10.5022 10.5022 11.4372 11.4372 14.1686 14.1686 14.5210 14.5210 k = 0.2326 0.4028 0.6839 ( 2620 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6146 -11.6146 -11.5351 -11.5351 2.1869 2.1869 2.2711 2.2711 2.4569 2.4569 2.5219 2.5219 3.6801 3.6801 3.9838 3.9838 4.4577 4.4577 4.6748 4.6748 4.9335 4.9335 5.1244 5.1244 6.5103 6.5103 8.2877 8.2877 9.7218 9.7218 10.5461 10.5461 11.5083 11.5083 14.1154 14.1154 14.5223 14.5223 k = 0.2248 0.3894 0.6839 ( 2620 PWs) bands (ev): -30.6557 -30.6557 -11.9672 -11.9672 -11.6146 -11.6146 -11.5349 -11.5349 2.1906 2.1906 2.2731 2.2731 2.4586 2.4586 2.5187 2.5187 3.6778 3.6778 3.9832 3.9832 4.4582 4.4582 4.6616 4.6616 4.9250 4.9250 5.1079 5.1079 6.4666 6.4666 8.4083 8.4083 9.6427 9.6427 10.5966 10.5966 11.5819 11.5819 14.0626 14.0626 14.5159 14.5159 k = 0.2171 0.3759 0.6839 ( 2624 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6145 -11.6145 -11.5347 -11.5347 2.1943 2.1943 2.2757 2.2757 2.4601 2.4601 2.5155 2.5155 3.6762 3.6762 3.9823 3.9823 4.4584 4.4584 4.6475 4.6475 4.9149 4.9149 5.0922 5.0922 6.4247 6.4247 8.5333 8.5333 9.5613 9.5613 10.6528 10.6528 11.6580 11.6580 14.0104 14.0104 14.5041 14.5041 k = 0.2093 0.3625 0.6839 ( 2624 PWs) bands (ev): -30.6557 -30.6557 -11.9672 -11.9672 -11.6145 -11.6145 -11.5345 -11.5345 2.1977 2.1977 2.2790 2.2790 2.4613 2.4613 2.5124 2.5124 3.6754 3.6754 3.9810 3.9810 4.4582 4.4582 4.6323 4.6323 4.9029 4.9029 5.0779 5.0779 6.3845 6.3845 8.6625 8.6625 9.4786 9.4786 10.7140 10.7140 11.7363 11.7363 13.9590 13.9590 14.4886 14.4886 k = 0.2016 0.3491 0.6839 ( 2628 PWs) bands (ev): -30.6557 -30.6557 -11.9672 -11.9672 -11.6145 -11.6145 -11.5343 -11.5343 2.2009 2.2009 2.2829 2.2829 2.4622 2.4622 2.5094 2.5094 3.6754 3.6754 3.9794 3.9794 4.4575 4.4575 4.6163 4.6163 4.8891 4.8891 5.0652 5.0652 6.3463 6.3463 8.7953 8.7953 9.3956 9.3956 10.7799 10.7799 11.8170 11.8170 13.9086 13.9086 14.4708 14.4708 k = 0.1938 0.3357 0.6839 ( 2624 PWs) bands (ev): -30.6557 -30.6557 -11.9672 -11.9672 -11.6144 -11.6144 -11.5340 -11.5340 2.2038 2.2038 2.2874 2.2874 2.4628 2.4628 2.5066 2.5066 3.6762 3.6762 3.9773 3.9773 4.4563 4.4563 4.5994 4.5994 4.8736 4.8736 5.0541 5.0541 6.3100 6.3100 8.9303 8.9303 9.3145 9.3145 10.8502 10.8502 11.8999 11.8999 13.8594 13.8594 14.4516 14.4516 k = 0.1860 0.3222 0.6839 ( 2624 PWs) bands (ev): -30.6558 -30.6558 -11.9672 -11.9672 -11.6143 -11.6143 -11.5337 -11.5337 2.2064 2.2064 2.2926 2.2926 2.4630 2.4630 2.5040 2.5040 3.6779 3.6779 3.9750 3.9750 4.4542 4.4542 4.5819 4.5819 4.8567 4.8567 5.0446 5.0446 6.2757 6.2757 9.0590 9.0590 9.2438 9.2438 10.9244 10.9244 11.9848 11.9848 13.8113 13.8113 14.4316 14.4316 k = 0.1783 0.3088 0.6839 ( 2628 PWs) bands (ev): -30.6558 -30.6558 -11.9672 -11.9672 -11.6143 -11.6143 -11.5335 -11.5335 2.2088 2.2088 2.2984 2.2984 2.4627 2.4627 2.5017 2.5017 3.6805 3.6805 3.9723 3.9723 4.4512 4.4512 4.5639 4.5639 4.8389 4.8389 5.0367 5.0367 6.2433 6.2433 9.1026 9.1026 9.2628 9.2628 11.0025 11.0025 12.0718 12.0718 13.7646 13.7646 14.4113 14.4113 k = 0.1705 0.2954 0.6839 ( 2632 PWs) bands (ev): -30.6558 -30.6558 -11.9672 -11.9672 -11.6143 -11.6143 -11.5332 -11.5332 2.2109 2.2109 2.3048 2.3048 2.4619 2.4619 2.4996 2.4996 3.6840 3.6840 3.9693 3.9693 4.4466 4.4466 4.5458 4.5458 4.8206 4.8206 5.0300 5.0300 6.2130 6.2130 9.0384 9.0384 9.3945 9.3945 11.0842 11.0842 12.1606 12.1606 13.7193 13.7193 14.3909 14.3909 k = 0.1628 0.2820 0.6839 ( 2628 PWs) bands (ev): -30.6558 -30.6558 -11.9671 -11.9671 -11.6142 -11.6142 -11.5329 -11.5329 2.2129 2.2129 2.3116 2.3116 2.4607 2.4607 2.4979 2.4979 3.6885 3.6885 3.9661 3.9661 4.4402 4.4402 4.5279 4.5279 4.8024 4.8024 5.0245 5.0245 6.1846 6.1846 8.9605 8.9605 9.5449 9.5449 11.1693 11.1693 12.2513 12.2513 13.6757 13.6757 14.3708 14.3708 k = 0.1550 0.2685 0.6839 ( 2624 PWs) bands (ev): -30.6558 -30.6558 -11.9671 -11.9671 -11.6141 -11.6141 -11.5326 -11.5326 2.2147 2.2147 2.3187 2.3187 2.4591 2.4591 2.4965 2.4965 3.6938 3.6938 3.9626 3.9626 4.4312 4.4312 4.5109 4.5109 4.7849 4.7849 5.0198 5.0198 6.1581 6.1581 8.8814 8.8814 9.7017 9.7017 11.2577 11.2577 12.3438 12.3438 13.6336 13.6336 14.3510 14.3510 k = 0.1473 0.2551 0.6839 ( 2628 PWs) bands (ev): -30.6558 -30.6558 -11.9671 -11.9671 -11.6141 -11.6141 -11.5323 -11.5323 2.2164 2.2164 2.3262 2.3262 2.4571 2.4571 2.4953 2.4953 3.7000 3.7000 3.9588 3.9588 4.4192 4.4192 4.4951 4.4951 4.7685 4.7685 5.0158 5.0158 6.1336 6.1336 8.8031 8.8031 9.8629 9.8629 11.3492 11.3492 12.4377 12.4377 13.5933 13.5933 14.3316 14.3316 k = 0.1395 0.2417 0.6839 ( 2628 PWs) bands (ev): -30.6558 -30.6558 -11.9671 -11.9671 -11.6140 -11.6140 -11.5321 -11.5321 2.2180 2.2180 2.3338 2.3338 2.4548 2.4548 2.4943 2.4943 3.7071 3.7071 3.9550 3.9550 4.4040 4.4040 4.4804 4.4804 4.7538 4.7538 5.0124 5.0124 6.1110 6.1110 8.7265 8.7265 10.0280 10.0280 11.4435 11.4435 12.5331 12.5331 13.5547 13.5547 14.3127 14.3127 k = 0.1318 0.2283 0.6839 ( 2624 PWs) bands (ev): -30.6558 -30.6558 -11.9671 -11.9671 -11.6140 -11.6140 -11.5317 -11.5317 2.2196 2.2196 2.3416 2.3416 2.4524 2.4524 2.4934 2.4934 3.7151 3.7151 3.9510 3.9510 4.3860 4.3860 4.4667 4.4667 4.7411 4.7411 5.0095 5.0095 6.0901 6.0901 8.6519 8.6519 10.1966 10.1966 11.5406 11.5406 12.6299 12.6299 13.5180 13.5180 14.2946 14.2946 k = 0.1240 0.2148 0.6839 ( 2624 PWs) bands (ev): -30.6559 -30.6559 -11.9671 -11.9671 -11.6139 -11.6139 -11.5315 -11.5315 2.2211 2.2211 2.3494 2.3494 2.4498 2.4498 2.4926 2.4926 3.7238 3.7238 3.9470 3.9470 4.3657 4.3657 4.4532 4.4532 4.7305 4.7305 5.0070 5.0070 6.0710 6.0710 8.5798 8.5798 10.3684 10.3684 11.6403 11.6403 12.7277 12.7277 13.4832 13.4833 14.2771 14.2771 k = 0.1163 0.2014 0.6839 ( 2618 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6138 -11.6138 -11.5312 -11.5312 2.2225 2.2225 2.3572 2.3572 2.4472 2.4472 2.4919 2.4919 3.7333 3.7333 3.9430 3.9430 4.3439 4.3439 4.4395 4.4395 4.7223 4.7223 5.0049 5.0049 6.0535 6.0535 8.5104 8.5104 10.5430 10.5430 11.7425 11.7425 12.8265 12.8265 13.4505 13.4505 14.2606 14.2606 k = 0.1085 0.1880 0.6839 ( 2618 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6138 -11.6138 -11.5309 -11.5309 2.2240 2.2240 2.3650 2.3650 2.4445 2.4445 2.4912 2.4912 3.7436 3.7436 3.9390 3.9390 4.3212 4.3212 4.4254 4.4254 4.7163 4.7163 5.0029 5.0029 6.0377 6.0377 8.4440 8.4440 10.7204 10.7204 11.8468 11.8468 12.9259 12.9259 13.4197 13.4197 14.2448 14.2448 k = 0.1008 0.1745 0.6839 ( 2622 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6138 -11.6138 -11.5307 -11.5307 2.2254 2.2254 2.3725 2.3725 2.4419 2.4419 2.4905 2.4905 3.7545 3.7545 3.9350 3.9350 4.2978 4.2978 4.4108 4.4108 4.7125 4.7125 5.0012 5.0012 6.0233 6.0233 8.3809 8.3809 10.9000 10.9000 11.9532 11.9532 13.0256 13.0256 13.3910 13.3910 14.2298 14.2298 k = 0.0930 0.1611 0.6839 ( 2622 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6137 -11.6137 -11.5304 -11.5304 2.2267 2.2267 2.3799 2.3799 2.4394 2.4394 2.4899 2.4899 3.7660 3.7660 3.9313 3.9313 4.2741 4.2741 4.3959 4.3959 4.7105 4.7105 4.9997 4.9997 6.0104 6.0104 8.3212 8.3212 11.0817 11.0817 12.0613 12.0613 13.1253 13.1253 13.3647 13.3647 14.2159 14.2159 k = 0.0853 0.1477 0.6839 ( 2622 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6137 -11.6137 -11.5302 -11.5302 2.2281 2.2281 2.3869 2.3869 2.4369 2.4369 2.4893 2.4893 3.7781 3.7781 3.9277 3.9277 4.2504 4.2504 4.3809 4.3809 4.7100 4.7100 4.9984 4.9984 5.9989 5.9989 8.2652 8.2652 11.2650 11.2650 12.1710 12.1710 13.2240 13.2240 13.3409 13.3409 14.2031 14.2031 k = 0.0775 0.1343 0.6839 ( 2620 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6136 -11.6136 -11.5300 -11.5300 2.2293 2.2293 2.3936 2.3936 2.4347 2.4347 2.4887 2.4887 3.7907 3.7907 3.9243 3.9243 4.2269 4.2269 4.3661 4.3661 4.7107 4.7107 4.9972 4.9972 5.9887 5.9887 8.2132 8.2132 11.4494 11.4494 12.2819 12.2819 13.3083 13.3083 13.3326 13.3326 14.1913 14.1913 k = 0.0698 0.1208 0.6839 ( 2628 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6136 -11.6136 -11.5298 -11.5298 2.2305 2.2305 2.3999 2.3999 2.4325 2.4325 2.4881 2.4881 3.8036 3.8036 3.9212 3.9212 4.2037 4.2037 4.3517 4.3517 4.7124 4.7124 4.9961 4.9961 5.9797 5.9797 8.1654 8.1654 11.6342 11.6342 12.3933 12.3933 13.2967 13.2967 13.4205 13.4205 14.1805 14.1805 k = 0.0620 0.1074 0.6839 ( 2620 PWs) bands (ev): -30.6559 -30.6559 -11.9670 -11.9670 -11.6135 -11.6135 -11.5296 -11.5296 2.2317 2.2317 2.4057 2.4057 2.4305 2.4305 2.4876 2.4876 3.8170 3.8170 3.9184 3.9184 4.1810 4.1810 4.3382 4.3382 4.7147 4.7147 4.9951 4.9951 5.9719 5.9719 8.1219 8.1219 11.8189 11.8189 12.5048 12.5048 13.2801 13.2801 13.5127 13.5127 14.1710 14.1710 k = 0.0543 0.0940 0.6839 ( 2608 PWs) bands (ev): -30.6559 -30.6559 -11.9669 -11.9669 -11.6135 -11.6135 -11.5293 -11.5293 2.2327 2.2327 2.4109 2.4109 2.4288 2.4288 2.4871 2.4871 3.8304 3.8304 3.9160 3.9160 4.1591 4.1591 4.3256 4.3256 4.7173 4.7173 4.9943 4.9943 5.9652 5.9652 8.0830 8.0830 12.0023 12.0023 12.6153 12.6153 13.2658 13.2658 13.5995 13.5995 14.1626 14.1626 k = 0.0465 0.0806 0.6839 ( 2612 PWs) bands (ev): -30.6559 -30.6559 -11.9669 -11.9669 -11.6135 -11.6135 -11.5292 -11.5292 2.2336 2.2336 2.4156 2.4156 2.4272 2.4272 2.4866 2.4866 3.8439 3.8439 3.9139 3.9139 4.1382 4.1382 4.3143 4.3143 4.7201 4.7201 4.9935 4.9935 5.9595 5.9595 8.0489 8.0489 12.1832 12.1832 12.7230 12.7230 13.2547 13.2547 13.6764 13.6764 14.1549 14.1549 k = 0.0388 0.0671 0.6839 ( 2612 PWs) bands (ev): -30.6559 -30.6559 -11.9669 -11.9669 -11.6134 -11.6134 -11.5291 -11.5291 2.2345 2.2345 2.4196 2.4196 2.4259 2.4259 2.4862 2.4862 3.8570 3.8570 3.9122 3.9122 4.1186 4.1186 4.3044 4.3044 4.7228 4.7228 4.9929 4.9929 5.9548 5.9548 8.0197 8.0197 12.3600 12.3600 12.8254 12.8254 13.2473 13.2473 13.7344 13.7344 14.1429 14.1429 k = 0.0310 0.0537 0.6839 ( 2612 PWs) bands (ev): -30.6560 -30.6560 -11.9669 -11.9669 -11.6134 -11.6134 -11.5290 -11.5290 2.2351 2.2351 2.4229 2.4229 2.4249 2.4249 2.4859 2.4859 3.8693 3.8693 3.9110 3.9110 4.1007 4.1007 4.2961 4.2961 4.7252 4.7252 4.9924 4.9924 5.9510 5.9510 7.9956 7.9956 12.5304 12.5304 12.9182 12.9182 13.2448 13.2448 13.7543 13.7543 14.0967 14.0967 k = 0.0233 0.0403 0.6839 ( 2610 PWs) bands (ev): -30.6560 -30.6560 -11.9669 -11.9669 -11.6134 -11.6134 -11.5289 -11.5289 2.2357 2.2357 2.4236 2.4236 2.4259 2.4259 2.4856 2.4856 3.8802 3.8802 3.9104 3.9104 4.0851 4.0851 4.2895 4.2895 4.7273 4.7273 4.9919 4.9919 5.9481 5.9481 7.9767 7.9767 12.6906 12.6906 12.9953 12.9953 13.2486 13.2486 13.7172 13.7172 14.0752 14.0752 k = 0.0155 0.0269 0.6839 ( 2614 PWs) bands (ev): -30.6560 -30.6560 -11.9669 -11.9669 -11.6134 -11.6134 -11.5288 -11.5288 2.2361 2.2361 2.4231 2.4231 2.4277 2.4277 2.4854 2.4854 3.8886 3.8886 3.9105 3.9105 4.0727 4.0727 4.2846 4.2846 4.7288 4.7288 4.9916 4.9916 5.9460 5.9460 7.9632 7.9632 12.8337 12.8337 13.0501 13.0501 13.2584 13.2584 13.6419 13.6419 14.0838 14.0839 k = 0.0078 0.0134 0.6839 ( 2618 PWs) bands (ev): -30.6560 -30.6560 -11.9669 -11.9669 -11.6134 -11.6134 -11.5288 -11.5288 2.2363 2.2363 2.4227 2.4227 2.4289 2.4289 2.4853 2.4853 3.8937 3.8937 3.9114 3.9114 4.0645 4.0645 4.2817 4.2817 4.7298 4.7298 4.9915 4.9915 5.9448 5.9448 7.9550 7.9550 12.9442 12.9442 13.0802 13.0802 13.2683 13.2683 13.5683 13.5683 14.0954 14.0955 k = 0.0000 0.0000 0.6839 ( 2618 PWs) bands (ev): -30.6560 -30.6560 -11.9669 -11.9669 -11.6134 -11.6134 -11.5288 -11.5288 2.2364 2.2364 2.4226 2.4226 2.4293 2.4293 2.4853 2.4853 3.8952 3.8952 3.9119 3.9119 4.0617 4.0617 4.2808 4.2808 4.7301 4.7301 4.9914 4.9914 5.9444 5.9444 7.9523 7.9523 12.9896 12.9896 13.0895 13.0895 13.2712 13.2712 13.5364 13.5364 14.0996 14.0997 k = 0.5000 0.2887 0.6839 ( 2640 PWs) bands (ev): -30.6557 -30.6557 -11.9674 -11.9674 -11.6148 -11.6148 -11.5356 -11.5356 2.2274 2.2274 2.2277 2.2277 2.4685 2.4685 2.5103 2.5103 3.5989 3.5989 4.0302 4.0302 4.5228 4.5228 4.6612 4.6612 5.0199 5.0199 5.0583 5.0583 6.7930 6.7930 7.8394 7.8394 10.2425 10.2425 10.3539 10.3539 11.0657 11.0657 14.4617 14.4617 14.4795 14.4795 k = 0.5000 0.2887 0.6683 ( 2636 PWs) bands (ev): -30.6557 -30.6557 -11.9672 -11.9672 -11.6147 -11.6147 -11.5356 -11.5356 2.2272 2.2272 2.2279 2.2279 2.4687 2.4687 2.5105 2.5105 3.5990 3.5990 4.0303 4.0303 4.5230 4.5230 4.6609 4.6609 5.0192 5.0192 5.0579 5.0579 6.7888 6.7888 7.8333 7.8333 10.2496 10.2496 10.3561 10.3561 11.0719 11.0719 14.4284 14.4284 14.5052 14.5052 k = 0.5000 0.2887 0.6528 ( 2632 PWs) bands (ev): -30.6558 -30.6558 -11.9669 -11.9669 -11.6143 -11.6143 -11.5357 -11.5357 2.2268 2.2268 2.2281 2.2281 2.4690 2.4690 2.5111 2.5111 3.5994 3.5994 4.0306 4.0306 4.5235 4.5235 4.6599 4.6599 5.0170 5.0170 5.0567 5.0567 6.7765 6.7765 7.8150 7.8150 10.2710 10.2710 10.3623 10.3623 11.0906 11.0906 14.3816 14.3816 14.5265 14.5269 k = 0.5000 0.2887 0.6373 ( 2632 PWs) bands (ev): -30.6559 -30.6559 -11.9664 -11.9664 -11.6138 -11.6138 -11.5358 -11.5358 2.2263 2.2263 2.2283 2.2283 2.4695 2.4695 2.5120 2.5120 3.5999 3.5999 4.0311 4.0311 4.5243 4.5243 4.6582 4.6582 5.0134 5.0134 5.0548 5.0548 6.7565 6.7565 7.7852 7.7852 10.3061 10.3061 10.3717 10.3717 11.1216 11.1216 14.3295 14.3295 14.5322 14.5324 k = 0.5000 0.2887 0.6217 ( 2632 PWs) bands (ev): -30.6560 -30.6560 -11.9657 -11.9657 -11.6131 -11.6131 -11.5360 -11.5360 2.2257 2.2257 2.2285 2.2285 2.4703 2.4703 2.5133 2.5133 3.6007 3.6007 4.0318 4.0318 4.5255 4.5255 4.6558 4.6558 5.0083 5.0083 5.0522 5.0522 6.7294 6.7294 7.7449 7.7449 10.3544 10.3544 10.3833 10.3833 11.1648 11.1648 14.2734 14.2734 14.5295 14.5296 k = 0.5000 0.2887 0.6062 ( 2628 PWs) bands (ev): -30.6562 -30.6562 -11.9648 -11.9648 -11.6122 -11.6122 -11.5363 -11.5363 2.2251 2.2251 2.2286 2.2286 2.4713 2.4713 2.5150 2.5150 3.6017 3.6017 4.0327 4.0327 4.5269 4.5269 4.6527 4.6527 5.0016 5.0016 5.0490 5.0490 6.6961 6.6961 7.6955 7.6955 10.3952 10.3952 10.4157 10.4157 11.2197 11.2197 14.2144 14.2144 14.5236 14.5236 k = 0.5000 0.2887 0.5906 ( 2628 PWs) bands (ev): -30.6564 -30.6564 -11.9638 -11.9638 -11.6110 -11.6110 -11.5366 -11.5366 2.2244 2.2244 2.2286 2.2286 2.4724 2.4724 2.5170 2.5170 3.6029 3.6029 4.0337 4.0337 4.5287 4.5287 4.6489 4.6489 4.9933 4.9933 5.0452 5.0452 6.6575 6.6575 7.6381 7.6381 10.4077 10.4077 10.4878 10.4878 11.2853 11.2853 14.1537 14.1537 14.5156 14.5160 k = 0.5000 0.2887 0.5751 ( 2632 PWs) bands (ev): -30.6566 -30.6566 -11.9625 -11.9625 -11.6097 -11.6097 -11.5370 -11.5370 2.2237 2.2237 2.2286 2.2286 2.4738 2.4738 2.5192 2.5192 3.6043 3.6043 4.0350 4.0350 4.5306 4.5306 4.6444 4.6444 4.9833 4.9833 5.0411 5.0411 6.6149 6.6149 7.5741 7.5741 10.4193 10.4193 10.5705 10.5705 11.3605 11.3605 14.0927 14.0927 14.5059 14.5060 k = 0.5000 0.2887 0.5595 ( 2640 PWs) bands (ev): -30.6569 -30.6569 -11.9612 -11.9612 -11.6082 -11.6082 -11.5375 -11.5375 2.2229 2.2229 2.2286 2.2286 2.4753 2.4753 2.5217 2.5217 3.6059 3.6059 4.0363 4.0363 4.5328 4.5328 4.6392 4.6392 4.9715 4.9715 5.0365 5.0365 6.5690 6.5690 7.5049 7.5049 10.4297 10.4297 10.6627 10.6627 11.4434 11.4434 14.0327 14.0327 14.4946 14.4947 k = 0.5000 0.2887 0.5440 ( 2640 PWs) bands (ev): -30.6572 -30.6572 -11.9597 -11.9597 -11.6065 -11.6065 -11.5380 -11.5380 2.2220 2.2220 2.2285 2.2285 2.4770 2.4770 2.5245 2.5245 3.6077 3.6077 4.0378 4.0378 4.5351 4.5351 4.6333 4.6333 4.9579 4.9579 5.0317 5.0317 6.5211 6.5211 7.4316 7.4316 10.4387 10.4387 10.7632 10.7632 11.5321 11.5321 13.9751 13.9751 14.4820 14.4858 k = 0.5000 0.2887 0.5285 ( 2638 PWs) bands (ev): -30.6575 -30.6575 -11.9580 -11.9580 -11.6045 -11.6045 -11.5385 -11.5385 2.2211 2.2211 2.2284 2.2284 2.4788 2.4788 2.5275 2.5275 3.6097 3.6097 4.0394 4.0394 4.5374 4.5374 4.6267 4.6267 4.9426 4.9426 5.0267 5.0267 6.4719 6.4719 7.3553 7.3553 10.4464 10.4464 10.8709 10.8709 11.6243 11.6243 13.9218 13.9218 14.4681 14.4683 k = 0.5000 0.2887 0.5129 ( 2636 PWs) bands (ev): -30.6579 -30.6579 -11.9562 -11.9562 -11.6023 -11.6023 -11.5391 -11.5391 2.2201 2.2201 2.2283 2.2283 2.4808 2.4808 2.5306 2.5306 3.6118 3.6118 4.0411 4.0411 4.5398 4.5398 4.6194 4.6194 4.9256 4.9256 5.0215 5.0215 6.4223 6.4223 7.2769 7.2769 10.4526 10.4526 10.9849 10.9849 11.7175 11.7175 13.8746 13.8746 14.4529 14.4529 k = 0.5000 0.2887 0.4974 ( 2636 PWs) bands (ev): -30.6583 -30.6583 -11.9544 -11.9544 -11.6000 -11.6000 -11.5398 -11.5398 2.2190 2.2190 2.2281 2.2281 2.4829 2.4829 2.5339 2.5339 3.6141 3.6141 4.0428 4.0428 4.5419 4.5419 4.6116 4.6116 4.9070 4.9070 5.0163 5.0163 6.3731 6.3731 7.1972 7.1972 10.4577 10.4577 11.1039 11.1039 11.8090 11.8090 13.8354 13.8354 14.4363 14.4368 k = 0.5000 0.2887 0.4818 ( 2624 PWs) bands (ev): -30.6587 -30.6587 -11.9524 -11.9524 -11.5974 -11.5974 -11.5404 -11.5404 2.2179 2.2179 2.2280 2.2280 2.4851 2.4851 2.5372 2.5372 3.6165 3.6165 4.0445 4.0445 4.5437 4.5437 4.6032 4.6032 4.8870 4.8870 5.0111 5.0111 6.3250 6.3250 7.1169 7.1169 10.4615 10.4615 11.2271 11.2271 11.8959 11.8959 13.8068 13.8068 14.4185 14.4195 k = 0.5000 0.2887 0.4663 ( 2620 PWs) bands (ev): -30.6591 -30.6591 -11.9504 -11.9504 -11.5946 -11.5946 -11.5411 -11.5411 2.2167 2.2167 2.2278 2.2278 2.4874 2.4874 2.5406 2.5406 3.6189 3.6189 4.0463 4.0463 4.5448 4.5448 4.5946 4.5946 4.8658 4.8658 5.0060 5.0060 6.2783 6.2783 7.0366 7.0366 10.4643 10.4643 11.3533 11.3533 11.9753 11.9753 13.7909 13.7909 14.3993 14.4025 k = 0.5000 0.2887 0.4507 ( 2618 PWs) bands (ev): -30.6596 -30.6596 -11.9484 -11.9484 -11.5917 -11.5917 -11.5418 -11.5418 2.2155 2.2155 2.2276 2.2276 2.4897 2.4897 2.5440 2.5440 3.6214 3.6214 4.0480 4.0480 4.5447 4.5447 4.5859 4.5859 4.8438 4.8438 5.0009 5.0009 6.2336 6.2336 6.9568 6.9568 10.4661 10.4661 11.4814 11.4814 12.0445 12.0445 13.7898 13.7898 14.3784 14.3818 k = 0.5000 0.2887 0.4352 ( 2622 PWs) bands (ev): -30.6601 -30.6601 -11.9463 -11.9463 -11.5886 -11.5886 -11.5426 -11.5426 2.2142 2.2142 2.2274 2.2274 2.4920 2.4920 2.5473 2.5473 3.6240 3.6240 4.0496 4.0496 4.5426 4.5426 4.5777 4.5777 4.8213 4.8213 4.9960 4.9960 6.1911 6.1911 6.8778 6.8778 10.4669 10.4669 11.6100 11.6100 12.1016 12.1016 13.8048 13.8048 14.3560 14.3568 k = 0.5000 0.2887 0.4197 ( 2618 PWs) bands (ev): -30.6606 -30.6606 -11.9443 -11.9443 -11.5853 -11.5853 -11.5434 -11.5434 2.2128 2.2128 2.2271 2.2271 2.4943 2.4943 2.5506 2.5506 3.6265 3.6265 4.0511 4.0511 4.5377 4.5377 4.5706 4.5706 4.7991 4.7991 4.9914 4.9914 6.1511 6.1511 6.8001 6.8001 10.4669 10.4669 11.7368 11.7368 12.1467 12.1467 13.8357 13.8357 14.3326 14.3339 k = 0.5000 0.2887 0.4041 ( 2624 PWs) bands (ev): -30.6611 -30.6611 -11.9422 -11.9422 -11.5819 -11.5819 -11.5442 -11.5442 2.2114 2.2114 2.2269 2.2269 2.4967 2.4967 2.5537 2.5537 3.6290 3.6290 4.0525 4.0525 4.5295 4.5295 4.5644 4.5644 4.7778 4.7778 4.9869 4.9869 6.1137 6.1137 6.7240 6.7240 10.4660 10.4660 11.8578 11.8578 12.1825 12.1825 13.8800 13.8800 14.3101 14.3102 k = 0.5000 0.2887 0.3886 ( 2624 PWs) bands (ev): -30.6616 -30.6616 -11.9402 -11.9402 -11.5783 -11.5783 -11.5450 -11.5450 2.2100 2.2100 2.2267 2.2267 2.4989 2.4989 2.5566 2.5566 3.6313 3.6313 4.0537 4.0537 4.5185 4.5185 4.5584 4.5584 4.7583 4.7583 4.9827 4.9827 6.0790 6.0790 6.6496 6.6496 10.4643 10.4643 11.9634 11.9634 12.2189 12.2189 13.9314 13.9314 14.2916 14.2916 k = 0.5000 0.2887 0.3730 ( 2628 PWs) bands (ev): -30.6622 -30.6622 -11.9382 -11.9382 -11.5746 -11.5746 -11.5458 -11.5458 2.2085 2.2085 2.2265 2.2265 2.5011 2.5011 2.5594 2.5594 3.6336 3.6336 4.0548 4.0548 4.5054 4.5054 4.5513 4.5513 4.7414 4.7414 4.9788 4.9788 6.0469 6.0469 6.5772 6.5772 10.4619 10.4619 12.0347 12.0347 12.2760 12.2760 13.9783 13.9783 14.2786 14.2787 k = 0.5000 0.2887 0.3575 ( 2628 PWs) bands (ev): -30.6627 -30.6627 -11.9363 -11.9363 -11.5708 -11.5708 -11.5466 -11.5466 2.2070 2.2070 2.2263 2.2263 2.5032 2.5032 2.5619 2.5619 3.6356 3.6356 4.0556 4.0556 4.4905 4.4905 4.5426 4.5426 4.7278 4.7278 4.9752 4.9752 6.0173 6.0173 6.5070 6.5070 10.4588 10.4588 12.0607 12.0607 12.3661 12.3661 14.0062 14.0062 14.2661 14.2661 k = 0.5000 0.2887 0.3419 ( 2626 PWs) bands (ev): -30.6632 -30.6632 -11.9344 -11.9344 -11.5669 -11.5669 -11.5474 -11.5474 2.2055 2.2055 2.2261 2.2261 2.5052 2.5052 2.5642 2.5642 3.6373 3.6373 4.0562 4.0562 4.4739 4.4739 4.5322 4.5322 4.7179 4.7179 4.9718 4.9718 5.9902 5.9902 6.4391 6.4391 10.4549 10.4549 12.0562 12.0562 12.4762 12.4762 14.0094 14.0094 14.2500 14.2500 k = 0.5000 0.2887 0.3264 ( 2622 PWs) bands (ev): -30.6638 -30.6638 -11.9325 -11.9325 -11.5631 -11.5631 -11.5481 -11.5481 2.2039 2.2039 2.2259 2.2259 2.5070 2.5070 2.5662 2.5662 3.6388 3.6388 4.0565 4.0565 4.4557 4.4557 4.5206 4.5206 4.7113 4.7113 4.9688 4.9688 5.9654 5.9654 6.3737 6.3737 10.4505 10.4505 12.0359 12.0359 12.5931 12.5931 13.9948 13.9948 14.2320 14.2320 k = 0.5000 0.2887 0.3109 ( 2622 PWs) bands (ev): -30.6643 -30.6643 -11.9308 -11.9308 -11.5593 -11.5593 -11.5486 -11.5486 2.2024 2.2024 2.2257 2.2257 2.5087 2.5087 2.5679 2.5679 3.6398 3.6398 4.0566 4.0566 4.4362 4.4362 4.5084 4.5084 4.7078 4.7078 4.9660 4.9660 5.9428 5.9428 6.3108 6.3108 10.4455 10.4455 12.0069 12.0069 12.7108 12.7108 13.9704 13.9704 14.2133 14.2133 k = 0.5000 0.2887 0.2953 ( 2620 PWs) bands (ev): -30.6648 -30.6648 -11.9291 -11.9291 -11.5559 -11.5559 -11.5487 -11.5487 2.2009 2.2009 2.2255 2.2255 2.5103 2.5103 2.5692 2.5692 3.6403 3.6403 4.0565 4.0565 4.4157 4.4157 4.4962 4.4962 4.7065 4.7065 4.9636 4.9636 5.9222 5.9222 6.2506 6.2506 10.4399 10.4399 11.9729 11.9729 12.8264 12.8264 13.9414 13.9414 14.1945 14.1945 k = 0.5000 0.2887 0.2798 ( 2616 PWs) bands (ev): -30.6653 -30.6653 -11.9275 -11.9275 -11.5538 -11.5538 -11.5475 -11.5475 2.1993 2.1993 2.2253 2.2253 2.5116 2.5116 2.5703 2.5703 3.6404 3.6404 4.0562 4.0562 4.3947 4.3947 4.4845 4.4845 4.7071 4.7071 4.9614 4.9614 5.9034 5.9034 6.1932 6.1932 10.4339 10.4339 11.9359 11.9359 12.9386 12.9386 13.9103 13.9103 14.1759 14.1759 k = 0.5000 0.2887 0.2642 ( 2610 PWs) bands (ev): -30.6659 -30.6659 -11.9260 -11.9260 -11.5534 -11.5534 -11.5446 -11.5446 2.1978 2.1978 2.2252 2.2252 2.5128 2.5128 2.5710 2.5710 3.6399 3.6399 4.0557 4.0557 4.3736 4.3736 4.4734 4.4734 4.7089 4.7089 4.9594 4.9594 5.8861 5.8861 6.1387 6.1387 10.4274 10.4274 11.8974 11.8974 13.0462 13.0462 13.8787 13.8787 14.1578 14.1578 k = 0.5000 0.2887 0.2487 ( 2620 PWs) bands (ev): -30.6664 -30.6664 -11.9246 -11.9246 -11.5538 -11.5538 -11.5411 -11.5411 2.1964 2.1964 2.2250 2.2250 2.5138 2.5138 2.5714 2.5714 3.6388 3.6388 4.0552 4.0552 4.3530 4.3530 4.4631 4.4631 4.7117 4.7117 4.9577 4.9577 5.8702 5.8702 6.0873 6.0873 10.4207 10.4207 11.8585 11.8585 13.1484 13.1484 13.8477 13.8477 14.1402 14.1402 k = 0.5000 0.2887 0.2331 ( 2618 PWs) bands (ev): -30.6668 -30.6668 -11.9233 -11.9233 -11.5543 -11.5543 -11.5373 -11.5373 2.1949 2.1949 2.2249 2.2249 2.5147 2.5147 2.5715 2.5715 3.6371 3.6371 4.0546 4.0546 4.3332 4.3332 4.4536 4.4536 4.7151 4.7151 4.9562 4.9562 5.8554 5.8554 6.0390 6.0390 10.4137 10.4137 11.8198 11.8198 13.2444 13.2444 13.8181 13.8181 14.1234 14.1234 k = 0.5000 0.2887 0.2176 ( 2622 PWs) bands (ev): -30.6673 -30.6673 -11.9221 -11.9221 -11.5549 -11.5549 -11.5335 -11.5335 2.1935 2.1935 2.2247 2.2247 2.5153 2.5153 2.5713 2.5713 3.6348 3.6348 4.0541 4.0541 4.3144 4.3144 4.4450 4.4450 4.7189 4.7189 4.9550 4.9550 5.8413 5.8413 5.9943 5.9943 10.4065 10.4065 11.7820 11.7820 13.3332 13.3332 13.7909 13.7909 14.1074 14.1074 k = 0.5000 0.2887 0.2021 ( 2618 PWs) bands (ev): -30.6677 -30.6677 -11.9210 -11.9210 -11.5556 -11.5556 -11.5299 -11.5299 2.1922 2.1922 2.2246 2.2246 2.5158 2.5158 2.5709 2.5709 3.6319 3.6319 4.0537 4.0537 4.2969 4.2969 4.4372 4.4372 4.7229 4.7229 4.9539 4.9539 5.8275 5.8275 5.9535 5.9535 10.3993 10.3993 11.7456 11.7456 13.4135 13.4135 13.7673 13.7673 14.0925 14.0925 k = 0.5000 0.2887 0.1865 ( 2618 PWs) bands (ev): -30.6682 -30.6682 -11.9200 -11.9200 -11.5562 -11.5562 -11.5263 -11.5263 2.1909 2.1909 2.2245 2.2245 2.5161 2.5161 2.5702 2.5702 3.6285 3.6285 4.0535 4.0535 4.2807 4.2807 4.4302 4.4302 4.7271 4.7271 4.9530 4.9530 5.8133 5.8133 5.9172 5.9172 10.3921 10.3921 11.7109 11.7109 13.4829 13.4829 13.7499 13.7499 14.0786 14.0786 k = 0.5000 0.2887 0.1710 ( 2628 PWs) bands (ev): -30.6686 -30.6686 -11.9191 -11.9191 -11.5568 -11.5568 -11.5230 -11.5230 2.1897 2.1897 2.2244 2.2244 2.5163 2.5163 2.5694 2.5694 3.6247 3.6247 4.0536 4.0536 4.2658 4.2658 4.4239 4.4239 4.7312 4.7312 4.9522 4.9522 5.7978 5.7978 5.8863 5.8863 10.3851 10.3851 11.6782 11.6782 13.5364 13.5364 13.7432 13.7432 14.0659 14.0659 k = 0.5000 0.2887 0.1554 ( 2640 PWs) bands (ev): -30.6689 -30.6689 -11.9183 -11.9183 -11.5574 -11.5574 -11.5198 -11.5198 2.1885 2.1885 2.2243 2.2243 2.5163 2.5163 2.5684 2.5684 3.6206 3.6206 4.0540 4.0540 4.2524 4.2524 4.4184 4.4184 4.7353 4.7353 4.9515 4.9515 5.7800 5.7800 5.8616 5.8616 10.3783 10.3783 11.6478 11.6478 13.5679 13.5679 13.7537 13.7537 14.0545 14.0545 k = 0.5000 0.2887 0.1399 ( 2636 PWs) bands (ev): -30.6693 -30.6693 -11.9175 -11.9175 -11.5579 -11.5579 -11.5168 -11.5168 2.1875 2.1875 2.2242 2.2242 2.5163 2.5163 2.5674 2.5674 3.6163 3.6163 4.0547 4.0547 4.2403 4.2403 4.4136 4.4136 4.7392 4.7392 4.9510 4.9510 5.7600 5.7600 5.8433 5.8433 10.3717 10.3717 11.6198 11.6198 13.5774 13.5774 13.7812 13.7812 14.0451 14.0451 k = 0.5000 0.2887 0.1243 ( 2628 PWs) bands (ev): -30.6696 -30.6696 -11.9168 -11.9168 -11.5584 -11.5584 -11.5140 -11.5140 2.1865 2.1865 2.2241 2.2241 2.5162 2.5162 2.5663 2.5663 3.6120 3.6120 4.0556 4.0556 4.2295 4.2295 4.4094 4.4094 4.7429 4.7429 4.9506 4.9506 5.7389 5.7389 5.8300 5.8300 10.3656 10.3656 11.5944 11.5944 13.5735 13.5735 13.8166 13.8166 14.0377 14.0377 k = 0.5000 0.2887 0.1088 ( 2628 PWs) bands (ev): -30.6698 -30.6698 -11.9163 -11.9163 -11.5588 -11.5588 -11.5116 -11.5116 2.1857 2.1857 2.2240 2.2240 2.5160 2.5160 2.5652 2.5652 3.6078 3.6078 4.0568 4.0568 4.2199 4.2199 4.4059 4.4059 4.7462 4.7462 4.9503 4.9503 5.7183 5.7183 5.8203 5.8203 10.3600 10.3600 11.5717 11.5717 13.5641 13.5641 13.8516 13.8516 14.0329 14.0329 k = 0.5000 0.2887 0.0933 ( 2636 PWs) bands (ev): -30.6701 -30.6701 -11.9158 -11.9158 -11.5592 -11.5592 -11.5095 -11.5095 2.1849 2.1849 2.2240 2.2240 2.5158 2.5158 2.5641 2.5641 3.6038 3.6038 4.0582 4.0582 4.2116 4.2116 4.4029 4.4029 4.7492 4.7492 4.9500 4.9500 5.6992 5.6992 5.8130 5.8130 10.3550 10.3550 11.5518 11.5518 13.5532 13.5532 13.8818 13.8818 14.0315 14.0315 k = 0.5000 0.2887 0.0777 ( 2628 PWs) bands (ev): -30.6703 -30.6703 -11.9154 -11.9154 -11.5595 -11.5595 -11.5076 -11.5076 2.1843 2.1843 2.2240 2.2240 2.5155 2.5155 2.5632 2.5632 3.6003 3.6003 4.0597 4.0597 4.2045 4.2045 4.4005 4.4005 4.7519 4.7519 4.9498 4.9498 5.6824 5.6824 5.8075 5.8075 10.3506 10.3506 11.5349 11.5349 13.5428 13.5428 13.9049 13.9049 14.0338 14.0338 k = 0.5000 0.2887 0.0622 ( 2634 PWs) bands (ev): -30.6705 -30.6705 -11.9150 -11.9150 -11.5598 -11.5598 -11.5061 -11.5061 2.1837 2.1837 2.2239 2.2239 2.5153 2.5153 2.5623 2.5623 3.5972 3.5972 4.0611 4.0611 4.1986 4.1986 4.3985 4.3985 4.7541 4.7541 4.9497 4.9497 5.6683 5.6683 5.8033 5.8033 10.3469 10.3469 11.5210 11.5210 13.5336 13.5336 13.9204 13.9204 14.0395 14.0395 k = 0.5000 0.2887 0.0466 ( 2634 PWs) bands (ev): -30.6706 -30.6706 -11.9148 -11.9148 -11.5600 -11.5600 -11.5049 -11.5049 2.1833 2.1833 2.2239 2.2239 2.5151 2.5151 2.5616 2.5616 3.5946 3.5946 4.0624 4.0624 4.1940 4.1940 4.3970 4.3970 4.7558 4.7558 4.9496 4.9496 5.6571 5.6571 5.8002 5.8002 10.3440 10.3440 11.5101 11.5101 13.5261 13.5261 13.9296 13.9296 14.0471 14.0471 k = 0.5000 0.2887 0.0311 ( 2636 PWs) bands (ev): -30.6707 -30.6707 -11.9146 -11.9146 -11.5602 -11.5602 -11.5040 -11.5040 2.1830 2.1830 2.2239 2.2239 2.5150 2.5150 2.5611 2.5611 3.5928 3.5928 4.0634 4.0634 4.1907 4.1907 4.3960 4.3960 4.7571 4.7571 4.9495 4.9495 5.6491 5.6491 5.7981 5.7981 10.3419 10.3419 11.5023 11.5023 13.5206 13.5206 13.9344 13.9344 14.0544 14.0544 k = 0.5000 0.2887 0.0155 ( 2644 PWs) bands (ev): -30.6708 -30.6708 -11.9145 -11.9145 -11.5603 -11.5603 -11.5035 -11.5035 2.1828 2.1828 2.2238 2.2238 2.5149 2.5149 2.5608 2.5608 3.5916 3.5916 4.0640 4.0640 4.1886 4.1886 4.3953 4.3953 4.7579 4.7579 4.9494 4.9494 5.6442 5.6442 5.7968 5.7968 10.3406 10.3406 11.4976 11.4976 13.5173 13.5173 13.9366 13.9366 14.0594 14.0594 k = 0.5000 0.2887-0.0000 ( 2644 PWs) bands (ev): -30.6708 -30.6708 -11.9145 -11.9145 -11.5603 -11.5603 -11.5033 -11.5033 2.1828 2.1828 2.2238 2.2238 2.5148 2.5148 2.5607 2.5607 3.5912 3.5912 4.0642 4.0642 4.1880 4.1880 4.3951 4.3951 4.7581 4.7581 4.9494 4.9494 5.6426 5.6426 5.7964 5.7964 10.3401 10.3401 11.4960 11.4960 13.5162 13.5162 13.9373 13.9373 14.0612 14.0612 k = 0.3333 0.5774-0.0000 ( 2622 PWs) bands (ev): -30.6707 -30.6707 -11.9150 -11.9150 -11.5612 -11.5612 -11.5037 -11.5037 2.1003 2.1003 2.2331 2.2331 2.5370 2.5370 2.5620 2.5620 3.6005 3.6005 4.1114 4.1114 4.2225 4.2225 4.3204 4.3204 4.8068 4.8068 5.3007 5.3007 5.7760 5.7760 5.9879 5.9879 8.0854 8.0854 12.9818 12.9818 13.7124 13.7124 13.8965 13.8965 14.4495 14.4495 k = 0.3333 0.5774 0.0155 ( 2622 PWs) bands (ev): -30.6707 -30.6707 -11.9150 -11.9150 -11.5611 -11.5611 -11.5039 -11.5039 2.1004 2.1004 2.2332 2.2332 2.5371 2.5371 2.5621 2.5621 3.6009 3.6009 4.1115 4.1115 4.2225 4.2225 4.3209 4.3209 4.8067 4.8067 5.3006 5.3006 5.7768 5.7768 5.9884 5.9884 8.0875 8.0875 12.9838 12.9838 13.7104 13.7104 13.8936 13.8936 14.4500 14.4503 k = 0.3333 0.5774 0.0311 ( 2634 PWs) bands (ev): -30.6706 -30.6706 -11.9151 -11.9151 -11.5611 -11.5611 -11.5044 -11.5044 2.1006 2.1006 2.2333 2.2333 2.5374 2.5374 2.5622 2.5622 3.6020 3.6020 4.1115 4.1115 4.2227 4.2227 4.3227 4.3227 4.8062 4.8062 5.3004 5.3004 5.7790 5.7790 5.9898 5.9898 8.0941 8.0941 12.9896 12.9896 13.7042 13.7042 13.8851 13.8851 14.4516 14.4516 k = 0.3333 0.5774 0.0466 ( 2637 PWs) bands (ev): -30.6706 -30.6706 -11.9153 -11.9153 -11.5609 -11.5609 -11.5053 -11.5053 2.1010 2.1010 2.2336 2.2336 2.5379 2.5379 2.5623 2.5623 3.6038 3.6038 4.1116 4.1116 4.2229 4.2229 4.3257 4.3257 4.8054 4.8054 5.2999 5.2999 5.7826 5.7826 5.9921 5.9921 8.1050 8.1050 12.9994 12.9994 13.6939 13.6939 13.8710 13.8710 14.4544 14.4546 k = 0.3333 0.5774 0.0622 ( 2637 PWs) bands (ev): -30.6704 -30.6704 -11.9156 -11.9156 -11.5607 -11.5607 -11.5066 -11.5066 2.1015 2.1015 2.2339 2.2339 2.5386 2.5386 2.5625 2.5625 3.6063 3.6063 4.1116 4.1116 4.2234 4.2234 4.3299 4.3299 4.8043 4.8043 5.2993 5.2993 5.7878 5.7878 5.9953 5.9953 8.1202 8.1202 13.0131 13.0131 13.6793 13.6793 13.8515 13.8515 14.4584 14.4586 k = 0.3333 0.5774 0.0777 ( 2637 PWs) bands (ev): -30.6702 -30.6702 -11.9159 -11.9159 -11.5604 -11.5604 -11.5081 -11.5081 2.1022 2.1022 2.2343 2.2343 2.5394 2.5394 2.5627 2.5627 3.6095 3.6095 4.1116 4.1116 4.2241 4.2241 4.3354 4.3354 4.8029 4.8029 5.2986 5.2986 5.7945 5.7945 5.9996 5.9996 8.1397 8.1397 13.0306 13.0306 13.6603 13.6603 13.8267 13.8267 14.4637 14.4638 k = 0.3333 0.5774 0.0933 ( 2640 PWs) bands (ev): -30.6700 -30.6700 -11.9164 -11.9164 -11.5601 -11.5601 -11.5100 -11.5100 2.1030 2.1030 2.2348 2.2348 2.5404 2.5404 2.5628 2.5628 3.6132 3.6132 4.1115 4.1115 4.2251 4.2251 4.3421 4.3421 4.8012 4.8012 5.2977 5.2977 5.8027 5.8027 6.0048 6.0048 8.1634 8.1634 13.0518 13.0518 13.6369 13.6369 13.7968 13.7968 14.4704 14.4704 k = 0.3333 0.5774 0.1088 ( 2646 PWs) bands (ev): -30.6698 -30.6698 -11.9169 -11.9169 -11.5598 -11.5598 -11.5122 -11.5122 2.1040 2.1040 2.2354 2.2354 2.5415 2.5415 2.5629 2.5629 3.6175 3.6175 4.1112 4.1112 4.2265 4.2265 4.3502 4.3502 4.7993 4.7993 5.2967 5.2967 5.8125 5.8125 6.0111 6.0111 8.1911 8.1911 13.0768 13.0768 13.6087 13.6087 13.7619 13.7619 14.4785 14.4786 k = 0.3333 0.5774 0.1243 ( 2646 PWs) bands (ev): -30.6695 -30.6695 -11.9174 -11.9174 -11.5593 -11.5593 -11.5146 -11.5146 2.1050 2.1050 2.2361 2.2361 2.5427 2.5427 2.5628 2.5628 3.6222 3.6222 4.1107 4.1107 4.2284 4.2284 4.3597 4.3597 4.7971 4.7971 5.2955 5.2955 5.8240 5.8240 6.0185 6.0185 8.2229 8.2229 13.1053 13.1053 13.5757 13.5757 13.7221 13.7221 14.4882 14.4883 k = 0.3333 0.5774 0.1399 ( 2640 PWs) bands (ev): -30.6692 -30.6692 -11.9181 -11.9181 -11.5588 -11.5588 -11.5173 -11.5173 2.1063 2.1063 2.2369 2.2369 2.5440 2.5440 2.5626 2.5626 3.6274 3.6274 4.1099 4.1099 4.2310 4.2310 4.3705 4.3705 4.7947 4.7947 5.2943 5.2943 5.8372 5.8372 6.0270 6.0270 8.2585 8.2585 13.1373 13.1373 13.5379 13.5379 13.6775 13.6775 14.4996 14.4997 k = 0.3333 0.5774 0.1554 ( 2640 PWs) bands (ev): -30.6689 -30.6689 -11.9188 -11.9188 -11.5582 -11.5582 -11.5203 -11.5203 2.1076 2.1076 2.2378 2.2378 2.5454 2.5454 2.5622 2.5622 3.6328 3.6328 4.1087 4.1087 4.2343 4.2343 4.3828 4.3828 4.7921 4.7921 5.2930 5.2930 5.8522 5.8522 6.0367 6.0367 8.2979 8.2979 13.1725 13.1725 13.4950 13.4950 13.6283 13.6283 14.5126 14.5126 k = 0.3333 0.5774 0.1710 ( 2640 PWs) bands (ev): -30.6685 -30.6685 -11.9197 -11.9197 -11.5576 -11.5576 -11.5235 -11.5235 2.1090 2.1090 2.2387 2.2387 2.5467 2.5467 2.5616 2.5616 3.6384 3.6384 4.1071 4.1071 4.2384 4.2384 4.3965 4.3965 4.7893 4.7893 5.2917 5.2917 5.8690 5.8690 6.0477 6.0477 8.3410 8.3410 13.2109 13.2109 13.4470 13.4470 13.5744 13.5744 14.5272 14.5272 k = 0.3333 0.5774 0.1865 ( 2649 PWs) bands (ev): -30.6681 -30.6681 -11.9206 -11.9206 -11.5570 -11.5570 -11.5270 -11.5270 2.1105 2.1105 2.2397 2.2397 2.5481 2.5481 2.5606 2.5606 3.6442 3.6442 4.1050 4.1050 4.2433 4.2433 4.4117 4.4117 4.7864 4.7864 5.2903 5.2903 5.8877 5.8877 6.0600 6.0600 8.3875 8.3875 13.2520 13.2520 13.3937 13.3937 13.5160 13.5160 14.5433 14.5433 k = 0.3333 0.5774 0.2021 ( 2655 PWs) bands (ev): -30.6677 -30.6677 -11.9216 -11.9216 -11.5563 -11.5563 -11.5306 -11.5306 2.1121 2.1121 2.2407 2.2407 2.5494 2.5494 2.5593 2.5593 3.6500 3.6500 4.1024 4.1024 4.2491 4.2491 4.4283 4.4283 4.7834 4.7834 5.2889 5.2889 5.9083 5.9083 6.0737 6.0737 8.4374 8.4374 13.2951 13.2951 13.3352 13.3352 13.4537 13.4537 14.5610 14.5610 k = 0.3333 0.5774 0.2176 ( 2640 PWs) bands (ev): -30.6673 -30.6673 -11.9227 -11.9227 -11.5556 -11.5556 -11.5343 -11.5343 2.1138 2.1138 2.2418 2.2418 2.5506 2.5506 2.5576 2.5576 3.6558 3.6558 4.0993 4.0993 4.2558 4.2558 4.4464 4.4464 4.7803 4.7803 5.2875 5.2875 5.9311 5.9311 6.0889 6.0889 8.4905 8.4905 13.2715 13.2715 13.3341 13.3341 13.3936 13.3936 14.5803 14.5803 k = 0.3333 0.5774 0.2331 ( 2640 PWs) bands (ev): -30.6668 -30.6668 -11.9239 -11.9239 -11.5548 -11.5548 -11.5382 -11.5382 2.1156 2.1156 2.2429 2.2429 2.5518 2.5518 2.5556 2.5556 3.6615 3.6615 4.0957 4.0957 4.2633 4.2633 4.4658 4.4658 4.7772 4.7772 5.2861 5.2861 5.9560 5.9560 6.1058 6.1058 8.5465 8.5465 13.2024 13.2024 13.3022 13.3022 13.4021 13.4021 14.6008 14.6008 k = 0.3333 0.5774 0.2487 ( 2628 PWs) bands (ev): -30.6663 -30.6663 -11.9251 -11.9251 -11.5540 -11.5540 -11.5421 -11.5421 2.1174 2.1174 2.2441 2.2441 2.5528 2.5528 2.5531 2.5531 3.6670 3.6670 4.0916 4.0916 4.2716 4.2716 4.4865 4.4865 4.7741 4.7741 5.2847 5.2847 5.9832 5.9832 6.1244 6.1244 8.6054 8.6054 13.1281 13.1281 13.2277 13.2277 13.4507 13.4507 14.6225 14.6225 k = 0.3333 0.5774 0.2642 ( 2634 PWs) bands (ev): -30.6658 -30.6658 -11.9265 -11.9265 -11.5532 -11.5532 -11.5462 -11.5462 2.1193 2.1193 2.2453 2.2453 2.5503 2.5503 2.5538 2.5538 3.6723 3.6723 4.0872 4.0872 4.2806 4.2806 4.5084 4.5084 4.7710 4.7710 5.2834 5.2834 6.0127 6.0127 6.1448 6.1448 8.6668 8.6668 13.0485 13.0485 13.1459 13.1459 13.5036 13.5036 14.6453 14.6453 k = 0.3333 0.5774 0.2798 ( 2634 PWs) bands (ev): -30.6653 -30.6653 -11.9280 -11.9280 -11.5523 -11.5523 -11.5503 -11.5503 2.1212 2.1212 2.2466 2.2466 2.5470 2.5470 2.5546 2.5546 3.6773 3.6773 4.0823 4.0823 4.2901 4.2901 4.5313 4.5313 4.7680 4.7680 5.2821 5.2821 6.0445 6.0445 6.1672 6.1672 8.7307 8.7307 12.9638 12.9638 13.0590 13.0590 13.5587 13.5587 14.6691 14.6691 k = 0.3333 0.5774 0.2953 ( 2640 PWs) bands (ev): -30.6648 -30.6648 -11.9296 -11.9296 -11.5545 -11.5545 -11.5515 -11.5515 2.1231 2.1231 2.2478 2.2478 2.5433 2.5433 2.5553 2.5553 3.6821 3.6821 4.0772 4.0772 4.3000 4.3000 4.5552 4.5552 4.7651 4.7651 5.2809 5.2809 6.0788 6.0788 6.1916 6.1916 8.7968 8.7968 12.8741 12.8741 12.9674 12.9674 13.6154 13.6154 14.6936 14.6936 k = 0.3333 0.5774 0.3109 ( 2631 PWs) bands (ev): -30.6643 -30.6643 -11.9312 -11.9312 -11.5585 -11.5585 -11.5506 -11.5506 2.1250 2.1250 2.2491 2.2491 2.5392 2.5392 2.5558 2.5558 3.6865 3.6865 4.0718 4.0718 4.3103 4.3103 4.5798 4.5798 4.7624 4.7624 5.2798 5.2798 6.1156 6.1156 6.2181 6.2181 8.8648 8.8648 12.7797 12.7797 12.8714 12.8714 13.6730 13.6730 14.7188 14.7188 k = 0.3333 0.5774 0.3264 ( 2631 PWs) bands (ev): -30.6637 -30.6637 -11.9329 -11.9329 -11.5626 -11.5626 -11.5497 -11.5497 2.1270 2.1270 2.2504 2.2504 2.5348 2.5348 2.5562 2.5562 3.6907 3.6907 4.0662 4.0662 4.3207 4.3207 4.6049 4.6049 4.7598 4.7598 5.2787 5.2787 6.1550 6.1550 6.2470 6.2470 8.9344 8.9344 12.6809 12.6809 12.7712 12.7712 13.7311 13.7311 14.7446 14.7446 k = 0.3333 0.5774 0.3419 ( 2631 PWs) bands (ev): -30.6632 -30.6632 -11.9348 -11.9348 -11.5667 -11.5667 -11.5489 -11.5489 2.1289 2.1289 2.2517 2.2517 2.5300 2.5300 2.5564 2.5564 3.6945 3.6945 4.0604 4.0604 4.3312 4.3312 4.6304 4.6304 4.7575 4.7575 5.2777 5.2777 6.1969 6.1969 6.2781 6.2781 9.0055 9.0055 12.5778 12.5778 12.6673 12.6673 13.7893 13.7893 14.7706 14.7706 k = 0.3333 0.5774 0.3575 ( 2619 PWs) bands (ev): -30.6626 -30.6626 -11.9366 -11.9366 -11.5706 -11.5706 -11.5479 -11.5479 2.1308 2.1308 2.2530 2.2530 2.5249 2.5249 2.5565 2.5565 3.6980 3.6980 4.0546 4.0546 4.3416 4.3416 4.6560 4.6560 4.7553 4.7553 5.2768 5.2768 6.2413 6.2413 6.3116 6.3116 9.0778 9.0778 12.4711 12.4711 12.5600 12.5600 13.8471 13.8471 14.7970 14.7970 k = 0.3333 0.5774 0.3730 ( 2622 PWs) bands (ev): -30.6621 -30.6621 -11.9385 -11.9385 -11.5744 -11.5744 -11.5471 -11.5471 2.1327 2.1327 2.2542 2.2542 2.5196 2.5196 2.5564 2.5564 3.7011 3.7011 4.0486 4.0486 4.3517 4.3517 4.6815 4.6815 4.7535 4.7535 5.2759 5.2759 6.2882 6.2882 6.3476 6.3476 9.1508 9.1508 12.3611 12.3611 12.4497 12.4497 13.9039 13.9039 14.8232 14.8232 k = 0.3333 0.5774 0.3886 ( 2622 PWs) bands (ev): -30.6616 -30.6616 -11.9405 -11.9405 -11.5782 -11.5782 -11.5462 -11.5462 2.1346 2.1346 2.2555 2.2555 2.5142 2.5142 2.5563 2.5563 3.7040 3.7040 4.0427 4.0427 4.3615 4.3615 4.7067 4.7067 4.7519 4.7519 5.2751 5.2751 6.3375 6.3375 6.3860 6.3860 9.2243 9.2243 12.2483 12.2483 12.3372 12.3372 13.9591 13.9591 14.8493 14.8493 k = 0.3333 0.5774 0.4041 ( 2622 PWs) bands (ev): -30.6611 -30.6611 -11.9425 -11.9425 -11.5818 -11.5818 -11.5453 -11.5453 2.1364 2.1364 2.2567 2.2567 2.5085 2.5085 2.5560 2.5560 3.7066 3.7066 4.0368 4.0368 4.3709 4.3709 4.7314 4.7314 4.7506 4.7506 5.2744 5.2744 6.3891 6.3891 6.4268 6.4268 9.2978 9.2978 12.1335 12.1335 12.2229 12.2229 14.0122 14.0122 14.8750 14.8750 k = 0.3333 0.5774 0.4197 ( 2628 PWs) bands (ev): -30.6606 -30.6606 -11.9446 -11.9446 -11.5853 -11.5853 -11.5445 -11.5445 2.1382 2.1382 2.2579 2.2579 2.5028 2.5028 2.5555 2.5555 3.7089 3.7089 4.0310 4.0310 4.3798 4.3798 4.7496 4.7496 4.7554 4.7554 5.2738 5.2738 6.4429 6.4429 6.4699 6.4699 9.3710 9.3710 12.0171 12.0171 12.1075 12.1075 14.0623 14.0623 14.9002 14.9002 k = 0.3333 0.5774 0.4352 ( 2628 PWs) bands (ev): -30.6601 -30.6601 -11.9466 -11.9466 -11.5886 -11.5886 -11.5437 -11.5437 2.1399 2.1399 2.2590 2.2590 2.4970 2.4970 2.5550 2.5550 3.7110 3.7110 4.0253 4.0253 4.3882 4.3882 4.7489 4.7489 4.7785 4.7785 5.2732 5.2732 6.4985 6.4985 6.5151 6.5151 9.4435 9.4435 11.9000 11.9000 11.9919 11.9919 14.1090 14.1090 14.9247 14.9248 k = 0.3333 0.5774 0.4507 ( 2628 PWs) bands (ev): -30.6596 -30.6596 -11.9486 -11.9486 -11.5917 -11.5917 -11.5429 -11.5429 2.1415 2.1415 2.2601 2.2601 2.4913 2.4913 2.5545 2.5545 3.7129 3.7129 4.0198 4.0198 4.3959 4.3959 4.7484 4.7484 4.8006 4.8006 5.2727 5.2727 6.5557 6.5557 6.5623 6.5623 9.5146 9.5146 11.7828 11.7828 11.8769 11.8769 14.1517 14.1517 14.9483 14.9483 k = 0.3333 0.5774 0.4663 ( 2628 PWs) bands (ev): -30.6591 -30.6591 -11.9506 -11.9506 -11.5947 -11.5947 -11.5421 -11.5421 2.1431 2.1431 2.2612 2.2612 2.4856 2.4856 2.5538 2.5538 3.7145 3.7145 4.0144 4.0144 4.4029 4.4029 4.7482 4.7482 4.8215 4.8215 5.2723 5.2723 6.6111 6.6111 6.6143 6.6143 9.5839 9.5839 11.6664 11.6664 11.7634 11.7634 14.1897 14.1897 14.9706 14.9708 k = 0.3333 0.5774 0.4818 ( 2634 PWs) bands (ev): -30.6587 -30.6587 -11.9526 -11.9526 -11.5975 -11.5975 -11.5414 -11.5414 2.1446 2.1446 2.2622 2.2622 2.4801 2.4801 2.5531 2.5531 3.7160 3.7160 4.0093 4.0093 4.4093 4.4093 4.7482 4.7482 4.8412 4.8412 5.2719 5.2719 6.6612 6.6612 6.6737 6.6737 9.6507 9.6507 11.5515 11.5515 11.6522 11.6522 14.2225 14.2225 14.9910 14.9914 k = 0.3333 0.5774 0.4974 ( 2640 PWs) bands (ev): -30.6583 -30.6583 -11.9546 -11.9546 -11.6000 -11.6000 -11.5408 -11.5408 2.1460 2.1460 2.2631 2.2631 2.4747 2.4747 2.5524 2.5524 3.7172 3.7172 4.0045 4.0045 4.4150 4.4150 4.7485 4.7485 4.8595 4.8595 5.2716 5.2716 6.7122 6.7122 6.7336 6.7336 9.7144 9.7144 11.4391 11.4391 11.5446 11.5446 14.2499 14.2499 15.0081 15.0154 k = 0.3333 0.5774 0.5129 ( 2640 PWs) bands (ev): -30.6579 -30.6579 -11.9564 -11.9564 -11.6024 -11.6024 -11.5401 -11.5401 2.1473 2.1473 2.2640 2.2640 2.4696 2.4696 2.5516 2.5516 3.7184 3.7184 3.9999 3.9999 4.4201 4.4201 4.7489 4.7489 4.8764 4.8764 5.2713 5.2713 6.7635 6.7635 6.7933 6.7933 9.7743 9.7743 11.3300 11.3300 11.4416 11.4416 14.2717 14.2717 14.9904 14.9906 k = 0.3333 0.5774 0.5285 ( 2628 PWs) bands (ev): -30.6575 -30.6575 -11.9581 -11.9581 -11.6045 -11.6045 -11.5395 -11.5395 2.1485 2.1485 2.2649 2.2649 2.4648 2.4648 2.5509 2.5509 3.7194 3.7194 3.9956 3.9956 4.4245 4.4245 4.7494 4.7494 4.8918 4.8918 5.2710 5.2710 6.8146 6.8146 6.8523 6.8523 9.8295 9.8295 11.2253 11.2253 11.3444 11.3444 14.2881 14.2881 14.9549 14.9549 k = 0.3333 0.5774 0.5440 ( 2640 PWs) bands (ev): -30.6572 -30.6572 -11.9598 -11.9598 -11.6066 -11.6066 -11.5389 -11.5389 2.1496 2.1496 2.2656 2.2656 2.4603 2.4603 2.5502 2.5502 3.7202 3.7202 3.9917 3.9917 4.4284 4.4284 4.7500 4.7500 4.9058 4.9058 5.2708 5.2708 6.8647 6.8647 6.9097 6.9097 9.8793 9.8793 11.1258 11.1258 11.2542 11.2542 14.2990 14.2990 14.9196 14.9197 k = 0.3333 0.5774 0.5595 ( 2643 PWs) bands (ev): -30.6569 -30.6569 -11.9613 -11.9613 -11.6083 -11.6083 -11.5385 -11.5385 2.1506 2.1506 2.2663 2.2663 2.4561 2.4561 2.5495 2.5495 3.7209 3.7209 3.9881 3.9881 4.4317 4.4317 4.7507 4.7507 4.9182 4.9182 5.2706 5.2706 6.9130 6.9130 6.9649 6.9649 9.9229 9.9229 11.0326 11.0326 11.1722 11.1722 14.3053 14.3053 14.8871 14.8871 k = 0.3333 0.5774 0.5751 ( 2634 PWs) bands (ev): -30.6566 -30.6566 -11.9627 -11.9627 -11.6098 -11.6098 -11.5380 -11.5380 2.1515 2.1515 2.2669 2.2669 2.4524 2.4524 2.5489 2.5489 3.7216 3.7216 3.9850 3.9850 4.4345 4.4345 4.7513 4.7513 4.9292 4.9292 5.2705 5.2705 6.9588 6.9588 7.0169 7.0169 9.9597 9.9597 10.9469 10.9469 11.0997 11.0997 14.3076 14.3076 14.8583 14.8584 k = 0.3333 0.5774 0.5906 ( 2634 PWs) bands (ev): -30.6563 -30.6563 -11.9639 -11.9639 -11.6112 -11.6112 -11.5376 -11.5376 2.1523 2.1523 2.2674 2.2674 2.4491 2.4491 2.5483 2.5483 3.7221 3.7221 3.9822 3.9822 4.4369 4.4369 4.7520 4.7520 4.9386 4.9386 5.2704 5.2704 7.0010 7.0010 7.0648 7.0648 9.9893 9.9893 10.8696 10.8696 11.0374 11.0374 14.3067 14.3067 14.8334 14.8334 k = 0.3333 0.5774 0.6062 ( 2634 PWs) bands (ev): -30.6561 -30.6561 -11.9649 -11.9649 -11.6123 -11.6123 -11.5373 -11.5373 2.1529 2.1529 2.2679 2.2679 2.4463 2.4463 2.5478 2.5478 3.7225 3.7225 3.9798 3.9798 4.4388 4.4388 4.7526 4.7526 4.9466 4.9466 5.2703 5.2703 7.0389 7.0389 7.1076 7.1076 10.0117 10.0117 10.8019 10.8019 10.9860 10.9860 14.3038 14.3038 14.8124 14.8124 k = 0.3333 0.5774 0.6217 ( 2640 PWs) bands (ev): -30.6560 -30.6560 -11.9658 -11.9658 -11.6132 -11.6132 -11.5370 -11.5370 2.1534 2.1534 2.2682 2.2682 2.4439 2.4439 2.5473 2.5473 3.7229 3.7229 3.9778 3.9778 4.4403 4.4403 4.7532 4.7532 4.9531 4.9531 5.2702 5.2702 7.0714 7.0714 7.1443 7.1443 10.0275 10.0275 10.7448 10.7448 10.9455 10.9455 14.2997 14.2997 14.7952 14.7952 k = 0.3333 0.5774 0.6373 ( 2640 PWs) bands (ev): -30.6558 -30.6558 -11.9665 -11.9665 -11.6140 -11.6140 -11.5368 -11.5368 2.1539 2.1539 2.2685 2.2685 2.4420 2.4420 2.5470 2.5470 3.7232 3.7232 3.9762 3.9762 4.4414 4.4414 4.7536 4.7536 4.9582 4.9582 5.2701 5.2701 7.0978 7.0978 7.1740 7.1740 10.0376 10.0376 10.6992 10.6992 10.9153 10.9153 14.2954 14.2954 14.7820 14.7824 k = 0.3333 0.5774 0.6528 ( 2640 PWs) bands (ev): -30.6557 -30.6557 -11.9670 -11.9670 -11.6145 -11.6145 -11.5366 -11.5366 2.1542 2.1542 2.2687 2.2687 2.4407 2.4407 2.5467 2.5467 3.7233 3.7233 3.9751 3.9751 4.4422 4.4422 4.7539 4.7539 4.9617 4.9617 5.2701 5.2701 7.1172 7.1172 7.1959 7.1959 10.0434 10.0434 10.6660 10.6660 10.8948 10.8948 14.2917 14.2917 14.7726 14.7727 k = 0.3333 0.5774 0.6683 ( 2628 PWs) bands (ev): -30.6557 -30.6557 -11.9673 -11.9673 -11.6147 -11.6147 -11.5365 -11.5365 2.1544 2.1544 2.2688 2.2688 2.4399 2.4399 2.5466 2.5466 3.7235 3.7235 3.9745 3.9745 4.4427 4.4427 4.7541 4.7541 4.9639 4.9639 5.2701 5.2701 7.1291 7.1291 7.2093 7.2093 10.0463 10.0463 10.6458 10.6458 10.8830 10.8830 14.2893 14.2893 14.7671 14.7671 k = 0.3333 0.5774 0.6839 ( 2634 PWs) bands (ev): -30.6556 -30.6556 -11.9674 -11.9674 -11.6148 -11.6148 -11.5365 -11.5365 2.1544 2.1544 2.2689 2.2689 2.4397 2.4397 2.5465 2.5465 3.7235 3.7235 3.9743 3.9743 4.4429 4.4429 4.7542 4.7542 4.9646 4.9646 5.2701 5.2701 7.1331 7.1331 7.2139 7.2139 10.0471 10.0471 10.6390 10.6390 10.8792 10.8792 14.2884 14.2884 14.7651 14.7655 Writing output data file CaHg2.save init_run : 0.26s CPU 0.46s WALL ( 1 calls) electrons : 216.10s CPU 220.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 216.09s CPU 220.86s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 347 calls) cegterg : 205.04s CPU 208.45s WALL ( 1150 calls) Called by sum_band: Called by *egterg: h_psi : 81.32s CPU 83.27s WALL ( 21638 calls) s_psi : 5.37s CPU 5.59s WALL ( 21638 calls) g_psi : 0.27s CPU 0.28s WALL ( 20141 calls) cdiaghg : 104.72s CPU 106.54s WALL ( 20488 calls) cegterg:over : 6.64s CPU 6.65s WALL ( 20141 calls) cegterg:upda : 5.28s CPU 5.12s WALL ( 20141 calls) cegterg:last : 2.83s CPU 2.68s WALL ( 2612 calls) cdiaghg:chol : 5.57s CPU 5.43s WALL ( 20488 calls) cdiaghg:inve : 3.25s CPU 3.33s WALL ( 20488 calls) cdiaghg:para : 5.42s CPU 5.93s WALL ( 40976 calls) Called by h_psi: h_psi:vloc : 69.47s CPU 71.02s WALL ( 21638 calls) h_psi:vnl : 11.57s CPU 12.02s WALL ( 21638 calls) add_vuspsi : 6.40s CPU 6.56s WALL ( 21638 calls) General routines calbec : 5.11s CPU 5.41s WALL ( 21638 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 62.82s CPU 64.29s WALL ( 1318900 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.39s WALL ( 694 calls) Parallel routines fft_scatter : 29.66s CPU 30.41s WALL ( 1318923 calls) PWSCF : 3m48.82s CPU 4m20.93s WALL This run was terminated on: 16:44:19 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=