Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:13:11 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: ./C.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 26 8 1503 520 87 Max 54 27 10 1508 543 90 Sum 1921 955 295 54151 19151 3203 bravais-lattice index = 14 lattice parameter (alat) = 9.2408 a.u. unit-cell volume = 542.2213 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 1 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.240760 celldm(2)= 1.000000 celldm(3)= 0.793456 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 0.793456 ) 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 1.260309 ) PseudoPot. # 1 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential C 4.00 12.01070 C( 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= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0029586 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0029586 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0029586 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0029586 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0029586 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0029586 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0029586 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0029586 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0029586 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0029586 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0029586 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0029586 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0029586 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0029586 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0029586 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0029586 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0029586 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0029586 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0029586 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0029586 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0029586 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0029586 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0029586 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0029586 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0029586 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0029586 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0029586 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0029586 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0029586 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0029586 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0029586 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0029586 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0029586 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029586 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029586 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0029586 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0029586 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0029586 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0029586 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0029586 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0029586 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0029586 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0029586 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0029586 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0029586 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029586 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0029586 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0029586 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0029586 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0029586 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0029586 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0029586 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0029586 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0029586 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0029586 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0029586 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029586 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029586 k( 64) = ( 0.3255814 0.5639235 -0.0000000), wk = 0.0029586 k( 65) = ( 0.3178295 0.5504968 -0.0000000), wk = 0.0029586 k( 66) = ( 0.3100775 0.5370700 -0.0000000), wk = 0.0029586 k( 67) = ( 0.3023256 0.5236433 -0.0000000), wk = 0.0029586 k( 68) = ( 0.2945736 0.5102165 -0.0000000), wk = 0.0029586 k( 69) = ( 0.2868217 0.4967898 -0.0000000), wk = 0.0029586 k( 70) = ( 0.2790698 0.4833630 -0.0000000), wk = 0.0029586 k( 71) = ( 0.2713178 0.4699363 -0.0000000), wk = 0.0029586 k( 72) = ( 0.2635659 0.4565095 -0.0000000), wk = 0.0029586 k( 73) = ( 0.2558140 0.4430828 -0.0000000), wk = 0.0029586 k( 74) = ( 0.2480620 0.4296560 -0.0000000), wk = 0.0029586 k( 75) = ( 0.2403101 0.4162293 -0.0000000), wk = 0.0029586 k( 76) = ( 0.2325581 0.4028025 -0.0000000), wk = 0.0029586 k( 77) = ( 0.2248062 0.3893758 -0.0000000), wk = 0.0029586 k( 78) = ( 0.2170543 0.3759490 -0.0000000), wk = 0.0029586 k( 79) = ( 0.2093023 0.3625223 -0.0000000), wk = 0.0029586 k( 80) = ( 0.2015504 0.3490955 -0.0000000), wk = 0.0029586 k( 81) = ( 0.1937985 0.3356688 -0.0000000), wk = 0.0029586 k( 82) = ( 0.1860465 0.3222420 -0.0000000), wk = 0.0029586 k( 83) = ( 0.1782946 0.3088153 -0.0000000), wk = 0.0029586 k( 84) = ( 0.1705426 0.2953885 -0.0000000), wk = 0.0029586 k( 85) = ( 0.1627907 0.2819618 -0.0000000), wk = 0.0029586 k( 86) = ( 0.1550388 0.2685350 -0.0000000), wk = 0.0029586 k( 87) = ( 0.1472868 0.2551083 -0.0000000), wk = 0.0029586 k( 88) = ( 0.1395349 0.2416815 -0.0000000), wk = 0.0029586 k( 89) = ( 0.1317830 0.2282548 -0.0000000), wk = 0.0029586 k( 90) = ( 0.1240310 0.2148280 -0.0000000), wk = 0.0029586 k( 91) = ( 0.1162791 0.2014013 -0.0000000), wk = 0.0029586 k( 92) = ( 0.1085271 0.1879745 -0.0000000), wk = 0.0029586 k( 93) = ( 0.1007752 0.1745477 -0.0000000), wk = 0.0029586 k( 94) = ( 0.0930233 0.1611210 -0.0000000), wk = 0.0029586 k( 95) = ( 0.0852713 0.1476943 -0.0000000), wk = 0.0029586 k( 96) = ( 0.0775194 0.1342675 -0.0000000), wk = 0.0029586 k( 97) = ( 0.0697674 0.1208408 -0.0000000), wk = 0.0029586 k( 98) = ( 0.0620155 0.1074140 -0.0000000), wk = 0.0029586 k( 99) = ( 0.0542636 0.0939873 -0.0000000), wk = 0.0029586 k( 100) = ( 0.0465116 0.0805605 -0.0000000), wk = 0.0029586 k( 101) = ( 0.0387597 0.0671338 -0.0000000), wk = 0.0029586 k( 102) = ( 0.0310078 0.0537070 -0.0000000), wk = 0.0029586 k( 103) = ( 0.0232558 0.0402802 -0.0000000), wk = 0.0029586 k( 104) = ( 0.0155039 0.0268535 -0.0000000), wk = 0.0029586 k( 105) = ( 0.0077519 0.0134268 -0.0000000), wk = 0.0029586 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 108) = ( 0.0000000 0.0000000 0.0153696), wk = 0.0029586 k( 109) = ( 0.0000000 0.0000000 0.0307392), wk = 0.0029586 k( 110) = ( 0.0000000 0.0000000 0.0461089), wk = 0.0029586 k( 111) = ( 0.0000000 0.0000000 0.0614785), wk = 0.0029586 k( 112) = ( 0.0000000 0.0000000 0.0768481), wk = 0.0029586 k( 113) = ( 0.0000000 0.0000000 0.0922177), wk = 0.0029586 k( 114) = ( 0.0000000 0.0000000 0.1075874), wk = 0.0029586 k( 115) = ( 0.0000000 0.0000000 0.1229570), wk = 0.0029586 k( 116) = ( 0.0000000 0.0000000 0.1383266), wk = 0.0029586 k( 117) = ( 0.0000000 0.0000000 0.1536963), wk = 0.0029586 k( 118) = ( 0.0000000 0.0000000 0.1690659), wk = 0.0029586 k( 119) = ( 0.0000000 0.0000000 0.1844355), wk = 0.0029586 k( 120) = ( 0.0000000 0.0000000 0.1998051), wk = 0.0029586 k( 121) = ( 0.0000000 0.0000000 0.2151748), wk = 0.0029586 k( 122) = ( 0.0000000 0.0000000 0.2305444), wk = 0.0029586 k( 123) = ( 0.0000000 0.0000000 0.2459140), wk = 0.0029586 k( 124) = ( 0.0000000 0.0000000 0.2612836), wk = 0.0029586 k( 125) = ( 0.0000000 0.0000000 0.2766533), wk = 0.0029586 k( 126) = ( 0.0000000 0.0000000 0.2920229), wk = 0.0029586 k( 127) = ( 0.0000000 0.0000000 0.3073925), wk = 0.0029586 k( 128) = ( 0.0000000 0.0000000 0.3227621), wk = 0.0029586 k( 129) = ( 0.0000000 0.0000000 0.3381318), wk = 0.0029586 k( 130) = ( 0.0000000 0.0000000 0.3535014), wk = 0.0029586 k( 131) = ( 0.0000000 0.0000000 0.3688710), wk = 0.0029586 k( 132) = ( 0.0000000 0.0000000 0.3842406), wk = 0.0029586 k( 133) = ( 0.0000000 0.0000000 0.3996103), wk = 0.0029586 k( 134) = ( 0.0000000 0.0000000 0.4149799), wk = 0.0029586 k( 135) = ( 0.0000000 0.0000000 0.4303495), wk = 0.0029586 k( 136) = ( 0.0000000 0.0000000 0.4457191), wk = 0.0029586 k( 137) = ( 0.0000000 0.0000000 0.4610888), wk = 0.0029586 k( 138) = ( 0.0000000 0.0000000 0.4764584), wk = 0.0029586 k( 139) = ( 0.0000000 0.0000000 0.4918280), wk = 0.0029586 k( 140) = ( 0.0000000 0.0000000 0.5071976), wk = 0.0029586 k( 141) = ( 0.0000000 0.0000000 0.5225673), wk = 0.0029586 k( 142) = ( 0.0000000 0.0000000 0.5379369), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.5533065), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.5686761), wk = 0.0029586 k( 145) = ( 0.0000000 0.0000000 0.5840458), wk = 0.0029586 k( 146) = ( 0.0000000 0.0000000 0.5994154), wk = 0.0029586 k( 147) = ( 0.0000000 0.0000000 0.6147850), wk = 0.0029586 k( 148) = ( 0.0000000 0.0000000 0.6301546), wk = 0.0029586 k( 149) = ( 0.0000000 0.0000000 0.6301546), wk = 0.0029586 k( 150) = ( 0.0131579 0.0075967 0.6301546), wk = 0.0029586 k( 151) = ( 0.0263158 0.0151934 0.6301546), wk = 0.0029586 k( 152) = ( 0.0394737 0.0227901 0.6301546), wk = 0.0029586 k( 153) = ( 0.0526316 0.0303869 0.6301546), wk = 0.0029586 k( 154) = ( 0.0657895 0.0379836 0.6301546), wk = 0.0029586 k( 155) = ( 0.0789474 0.0455803 0.6301546), wk = 0.0029586 k( 156) = ( 0.0921053 0.0531770 0.6301546), wk = 0.0029586 k( 157) = ( 0.1052632 0.0607737 0.6301546), wk = 0.0029586 k( 158) = ( 0.1184210 0.0683704 0.6301546), wk = 0.0029586 k( 159) = ( 0.1315790 0.0759671 0.6301546), wk = 0.0029586 k( 160) = ( 0.1447368 0.0835639 0.6301546), wk = 0.0029586 k( 161) = ( 0.1578947 0.0911606 0.6301546), wk = 0.0029586 k( 162) = ( 0.1710526 0.0987573 0.6301546), wk = 0.0029586 k( 163) = ( 0.1842105 0.1063540 0.6301546), wk = 0.0029586 k( 164) = ( 0.1973684 0.1139507 0.6301546), wk = 0.0029586 k( 165) = ( 0.2105263 0.1215474 0.6301546), wk = 0.0029586 k( 166) = ( 0.2236842 0.1291441 0.6301546), wk = 0.0029586 k( 167) = ( 0.2368421 0.1367409 0.6301546), wk = 0.0029586 k( 168) = ( 0.2500000 0.1443376 0.6301546), wk = 0.0029586 k( 169) = ( 0.2631579 0.1519343 0.6301546), wk = 0.0029586 k( 170) = ( 0.2763158 0.1595310 0.6301546), wk = 0.0029586 k( 171) = ( 0.2894737 0.1671277 0.6301546), wk = 0.0029586 k( 172) = ( 0.3026316 0.1747244 0.6301546), wk = 0.0029586 k( 173) = ( 0.3157895 0.1823211 0.6301546), wk = 0.0029586 k( 174) = ( 0.3289474 0.1899179 0.6301546), wk = 0.0029586 k( 175) = ( 0.3421053 0.1975146 0.6301546), wk = 0.0029586 k( 176) = ( 0.3552632 0.2051113 0.6301546), wk = 0.0029586 k( 177) = ( 0.3684211 0.2127080 0.6301546), wk = 0.0029586 k( 178) = ( 0.3815789 0.2203047 0.6301546), wk = 0.0029586 k( 179) = ( 0.3947368 0.2279014 0.6301546), wk = 0.0029586 k( 180) = ( 0.4078947 0.2354981 0.6301546), wk = 0.0029586 k( 181) = ( 0.4210526 0.2430948 0.6301546), wk = 0.0029586 k( 182) = ( 0.4342105 0.2506916 0.6301546), wk = 0.0029586 k( 183) = ( 0.4473684 0.2582883 0.6301546), wk = 0.0029586 k( 184) = ( 0.4605263 0.2658850 0.6301546), wk = 0.0029586 k( 185) = ( 0.4736842 0.2734817 0.6301546), wk = 0.0029586 k( 186) = ( 0.4868421 0.2810784 0.6301546), wk = 0.0029586 k( 187) = ( 0.5000000 0.2886751 0.6301546), wk = 0.0029586 k( 188) = ( 0.5000000 0.2886751 0.6301546), wk = 0.0029586 k( 189) = ( 0.4924242 0.3017967 0.6301546), wk = 0.0029586 k( 190) = ( 0.4848485 0.3149183 0.6301546), wk = 0.0029586 k( 191) = ( 0.4772727 0.3280399 0.6301546), wk = 0.0029586 k( 192) = ( 0.4696970 0.3411615 0.6301546), wk = 0.0029586 k( 193) = ( 0.4621212 0.3542831 0.6301546), wk = 0.0029586 k( 194) = ( 0.4545455 0.3674047 0.6301546), wk = 0.0029586 k( 195) = ( 0.4469697 0.3805263 0.6301546), wk = 0.0029586 k( 196) = ( 0.4393939 0.3936479 0.6301546), wk = 0.0029586 k( 197) = ( 0.4318182 0.4067695 0.6301546), wk = 0.0029586 k( 198) = ( 0.4242424 0.4198911 0.6301546), wk = 0.0029586 k( 199) = ( 0.4166667 0.4330127 0.6301546), wk = 0.0029586 k( 200) = ( 0.4090909 0.4461343 0.6301546), wk = 0.0029586 k( 201) = ( 0.4015151 0.4592559 0.6301546), wk = 0.0029586 k( 202) = ( 0.3939394 0.4723775 0.6301546), wk = 0.0029586 k( 203) = ( 0.3863636 0.4854991 0.6301546), wk = 0.0029586 k( 204) = ( 0.3787879 0.4986207 0.6301546), wk = 0.0029586 k( 205) = ( 0.3712121 0.5117423 0.6301546), wk = 0.0029586 k( 206) = ( 0.3636364 0.5248639 0.6301546), wk = 0.0029586 k( 207) = ( 0.3560606 0.5379855 0.6301546), wk = 0.0029586 k( 208) = ( 0.3484849 0.5511071 0.6301546), wk = 0.0029586 k( 209) = ( 0.3409091 0.5642287 0.6301546), wk = 0.0029586 k( 210) = ( 0.3333333 0.5773503 0.6301546), wk = 0.0029586 k( 211) = ( 0.3333333 0.5773503 0.6301546), wk = 0.0029586 k( 212) = ( 0.3255814 0.5639235 0.6301546), wk = 0.0029586 k( 213) = ( 0.3178295 0.5504968 0.6301546), wk = 0.0029586 k( 214) = ( 0.3100775 0.5370700 0.6301546), wk = 0.0029586 k( 215) = ( 0.3023256 0.5236433 0.6301546), wk = 0.0029586 k( 216) = ( 0.2945736 0.5102165 0.6301546), wk = 0.0029586 k( 217) = ( 0.2868217 0.4967898 0.6301546), wk = 0.0029586 k( 218) = ( 0.2790698 0.4833630 0.6301546), wk = 0.0029586 k( 219) = ( 0.2713178 0.4699363 0.6301546), wk = 0.0029586 k( 220) = ( 0.2635659 0.4565095 0.6301546), wk = 0.0029586 k( 221) = ( 0.2558140 0.4430828 0.6301546), wk = 0.0029586 k( 222) = ( 0.2480620 0.4296560 0.6301546), wk = 0.0029586 k( 223) = ( 0.2403101 0.4162293 0.6301546), wk = 0.0029586 k( 224) = ( 0.2325581 0.4028025 0.6301546), wk = 0.0029586 k( 225) = ( 0.2248062 0.3893758 0.6301546), wk = 0.0029586 k( 226) = ( 0.2170543 0.3759490 0.6301546), wk = 0.0029586 k( 227) = ( 0.2093023 0.3625223 0.6301546), wk = 0.0029586 k( 228) = ( 0.2015504 0.3490955 0.6301546), wk = 0.0029586 k( 229) = ( 0.1937985 0.3356688 0.6301546), wk = 0.0029586 k( 230) = ( 0.1860465 0.3222420 0.6301546), wk = 0.0029586 k( 231) = ( 0.1782946 0.3088153 0.6301546), wk = 0.0029586 k( 232) = ( 0.1705426 0.2953885 0.6301546), wk = 0.0029586 k( 233) = ( 0.1627907 0.2819618 0.6301546), wk = 0.0029586 k( 234) = ( 0.1550388 0.2685350 0.6301546), wk = 0.0029586 k( 235) = ( 0.1472868 0.2551083 0.6301546), wk = 0.0029586 k( 236) = ( 0.1395349 0.2416815 0.6301546), wk = 0.0029586 k( 237) = ( 0.1317830 0.2282548 0.6301546), wk = 0.0029586 k( 238) = ( 0.1240310 0.2148280 0.6301546), wk = 0.0029586 k( 239) = ( 0.1162791 0.2014013 0.6301546), wk = 0.0029586 k( 240) = ( 0.1085271 0.1879745 0.6301546), wk = 0.0029586 k( 241) = ( 0.1007752 0.1745477 0.6301546), wk = 0.0029586 k( 242) = ( 0.0930233 0.1611210 0.6301546), wk = 0.0029586 k( 243) = ( 0.0852713 0.1476943 0.6301546), wk = 0.0029586 k( 244) = ( 0.0775194 0.1342675 0.6301546), wk = 0.0029586 k( 245) = ( 0.0697674 0.1208408 0.6301546), wk = 0.0029586 k( 246) = ( 0.0620155 0.1074140 0.6301546), wk = 0.0029586 k( 247) = ( 0.0542636 0.0939873 0.6301546), wk = 0.0029586 k( 248) = ( 0.0465116 0.0805605 0.6301546), wk = 0.0029586 k( 249) = ( 0.0387597 0.0671338 0.6301546), wk = 0.0029586 k( 250) = ( 0.0310078 0.0537070 0.6301546), wk = 0.0029586 k( 251) = ( 0.0232558 0.0402802 0.6301546), wk = 0.0029586 k( 252) = ( 0.0155039 0.0268535 0.6301546), wk = 0.0029586 k( 253) = ( 0.0077519 0.0134268 0.6301546), wk = 0.0029586 k( 254) = ( 0.0000000 0.0000000 0.6301546), wk = 0.0029586 k( 255) = ( 0.5000000 0.2886751 0.6301546), wk = 0.0029586 k( 256) = ( 0.5000000 0.2886751 0.6147850), wk = 0.0029586 k( 257) = ( 0.5000000 0.2886751 0.5994154), wk = 0.0029586 k( 258) = ( 0.5000000 0.2886751 0.5840458), wk = 0.0029586 k( 259) = ( 0.5000000 0.2886751 0.5686761), wk = 0.0029586 k( 260) = ( 0.5000000 0.2886751 0.5533065), wk = 0.0029586 k( 261) = ( 0.5000000 0.2886751 0.5379369), wk = 0.0029586 k( 262) = ( 0.5000000 0.2886751 0.5225673), wk = 0.0029586 k( 263) = ( 0.5000000 0.2886751 0.5071976), wk = 0.0029586 k( 264) = ( 0.5000000 0.2886751 0.4918280), wk = 0.0029586 k( 265) = ( 0.5000000 0.2886751 0.4764584), wk = 0.0029586 k( 266) = ( 0.5000000 0.2886751 0.4610888), wk = 0.0029586 k( 267) = ( 0.5000000 0.2886751 0.4457191), wk = 0.0029586 k( 268) = ( 0.5000000 0.2886751 0.4303495), wk = 0.0029586 k( 269) = ( 0.5000000 0.2886751 0.4149799), wk = 0.0029586 k( 270) = ( 0.5000000 0.2886751 0.3996103), wk = 0.0029586 k( 271) = ( 0.5000000 0.2886751 0.3842406), wk = 0.0029586 k( 272) = ( 0.5000000 0.2886751 0.3688710), wk = 0.0029586 k( 273) = ( 0.5000000 0.2886751 0.3535014), wk = 0.0029586 k( 274) = ( 0.5000000 0.2886751 0.3381318), wk = 0.0029586 k( 275) = ( 0.5000000 0.2886751 0.3227621), wk = 0.0029586 k( 276) = ( 0.5000000 0.2886751 0.3073925), wk = 0.0029586 k( 277) = ( 0.5000000 0.2886751 0.2920229), wk = 0.0029586 k( 278) = ( 0.5000000 0.2886751 0.2766533), wk = 0.0029586 k( 279) = ( 0.5000000 0.2886751 0.2612836), wk = 0.0029586 k( 280) = ( 0.5000000 0.2886751 0.2459140), wk = 0.0029586 k( 281) = ( 0.5000000 0.2886751 0.2305444), wk = 0.0029586 k( 282) = ( 0.5000000 0.2886751 0.2151748), wk = 0.0029586 k( 283) = ( 0.5000000 0.2886751 0.1998051), wk = 0.0029586 k( 284) = ( 0.5000000 0.2886751 0.1844355), wk = 0.0029586 k( 285) = ( 0.5000000 0.2886751 0.1690659), wk = 0.0029586 k( 286) = ( 0.5000000 0.2886751 0.1536963), wk = 0.0029586 k( 287) = ( 0.5000000 0.2886751 0.1383266), wk = 0.0029586 k( 288) = ( 0.5000000 0.2886751 0.1229570), wk = 0.0029586 k( 289) = ( 0.5000000 0.2886751 0.1075874), wk = 0.0029586 k( 290) = ( 0.5000000 0.2886751 0.0922177), wk = 0.0029586 k( 291) = ( 0.5000000 0.2886751 0.0768481), wk = 0.0029586 k( 292) = ( 0.5000000 0.2886751 0.0614785), wk = 0.0029586 k( 293) = ( 0.5000000 0.2886751 0.0461089), wk = 0.0029586 k( 294) = ( 0.5000000 0.2886751 0.0307392), wk = 0.0029586 k( 295) = ( 0.5000000 0.2886751 0.0153696), wk = 0.0029586 k( 296) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029586 k( 297) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029586 k( 298) = ( 0.3333333 0.5773503 0.0153696), wk = 0.0029586 k( 299) = ( 0.3333333 0.5773503 0.0307392), wk = 0.0029586 k( 300) = ( 0.3333333 0.5773503 0.0461089), wk = 0.0029586 k( 301) = ( 0.3333333 0.5773503 0.0614785), wk = 0.0029586 k( 302) = ( 0.3333333 0.5773503 0.0768481), wk = 0.0029586 k( 303) = ( 0.3333333 0.5773503 0.0922177), wk = 0.0029586 k( 304) = ( 0.3333333 0.5773503 0.1075874), wk = 0.0029586 k( 305) = ( 0.3333333 0.5773503 0.1229570), wk = 0.0029586 k( 306) = ( 0.3333333 0.5773503 0.1383266), wk = 0.0029586 k( 307) = ( 0.3333333 0.5773503 0.1536963), wk = 0.0029586 k( 308) = ( 0.3333333 0.5773503 0.1690659), wk = 0.0029586 k( 309) = ( 0.3333333 0.5773503 0.1844355), wk = 0.0029586 k( 310) = ( 0.3333333 0.5773503 0.1998051), wk = 0.0029586 k( 311) = ( 0.3333333 0.5773503 0.2151748), wk = 0.0029586 k( 312) = ( 0.3333333 0.5773503 0.2305444), wk = 0.0029586 k( 313) = ( 0.3333333 0.5773503 0.2459140), wk = 0.0029586 k( 314) = ( 0.3333333 0.5773503 0.2612836), wk = 0.0029586 k( 315) = ( 0.3333333 0.5773503 0.2766533), wk = 0.0029586 k( 316) = ( 0.3333333 0.5773503 0.2920229), wk = 0.0029586 k( 317) = ( 0.3333333 0.5773503 0.3073925), wk = 0.0029586 k( 318) = ( 0.3333333 0.5773503 0.3227621), wk = 0.0029586 k( 319) = ( 0.3333333 0.5773503 0.3381318), wk = 0.0029586 k( 320) = ( 0.3333333 0.5773503 0.3535014), wk = 0.0029586 k( 321) = ( 0.3333333 0.5773503 0.3688710), wk = 0.0029586 k( 322) = ( 0.3333333 0.5773503 0.3842406), wk = 0.0029586 k( 323) = ( 0.3333333 0.5773503 0.3996103), wk = 0.0029586 k( 324) = ( 0.3333333 0.5773503 0.4149799), wk = 0.0029586 k( 325) = ( 0.3333333 0.5773503 0.4303495), wk = 0.0029586 k( 326) = ( 0.3333333 0.5773503 0.4457191), wk = 0.0029586 k( 327) = ( 0.3333333 0.5773503 0.4610888), wk = 0.0029586 k( 328) = ( 0.3333333 0.5773503 0.4764584), wk = 0.0029586 k( 329) = ( 0.3333333 0.5773503 0.4918280), wk = 0.0029586 k( 330) = ( 0.3333333 0.5773503 0.5071976), wk = 0.0029586 k( 331) = ( 0.3333333 0.5773503 0.5225673), wk = 0.0029586 k( 332) = ( 0.3333333 0.5773503 0.5379369), wk = 0.0029586 k( 333) = ( 0.3333333 0.5773503 0.5533065), wk = 0.0029586 k( 334) = ( 0.3333333 0.5773503 0.5686761), wk = 0.0029586 k( 335) = ( 0.3333333 0.5773503 0.5840458), wk = 0.0029586 k( 336) = ( 0.3333333 0.5773503 0.5994154), wk = 0.0029586 k( 337) = ( 0.3333333 0.5773503 0.6147850), wk = 0.0029586 k( 338) = ( 0.3333333 0.5773503 0.6301546), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0131579 0.0000000 0.0000000), wk = 0.0029586 k( 3) = ( 0.0263158 0.0000000 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0394737 0.0000000 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0526316 0.0000000 -0.0000000), wk = 0.0029586 k( 6) = ( 0.0657895 0.0000000 0.0000000), wk = 0.0029586 k( 7) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0029586 k( 8) = ( 0.0921053 0.0000000 0.0000000), wk = 0.0029586 k( 9) = ( 0.1052632 0.0000000 -0.0000000), wk = 0.0029586 k( 10) = ( 0.1184210 -0.0000000 0.0000000), wk = 0.0029586 k( 11) = ( 0.1315790 0.0000000 0.0000000), wk = 0.0029586 k( 12) = ( 0.1447368 0.0000000 -0.0000000), wk = 0.0029586 k( 13) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0029586 k( 14) = ( 0.1710526 0.0000000 0.0000000), wk = 0.0029586 k( 15) = ( 0.1842105 0.0000000 0.0000000), wk = 0.0029586 k( 16) = ( 0.1973684 0.0000000 -0.0000000), wk = 0.0029586 k( 17) = ( 0.2105263 0.0000000 -0.0000000), wk = 0.0029586 k( 18) = ( 0.2236842 -0.0000000 0.0000000), wk = 0.0029586 k( 19) = ( 0.2368421 0.0000000 0.0000000), wk = 0.0029586 k( 20) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0029586 k( 21) = ( 0.2631579 0.0000000 -0.0000000), wk = 0.0029586 k( 22) = ( 0.2763158 0.0000000 0.0000000), wk = 0.0029586 k( 23) = ( 0.2894737 0.0000000 -0.0000000), wk = 0.0029586 k( 24) = ( 0.3026316 -0.0000000 0.0000000), wk = 0.0029586 k( 25) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0029586 k( 26) = ( 0.3289474 0.0000000 0.0000000), wk = 0.0029586 k( 27) = ( 0.3421053 0.0000000 0.0000000), wk = 0.0029586 k( 28) = ( 0.3552632 0.0000000 0.0000000), wk = 0.0029586 k( 29) = ( 0.3684211 0.0000000 0.0000000), wk = 0.0029586 k( 30) = ( 0.3815789 0.0000000 0.0000000), wk = 0.0029586 k( 31) = ( 0.3947368 0.0000000 -0.0000000), wk = 0.0029586 k( 32) = ( 0.4078947 0.0000000 0.0000000), wk = 0.0029586 k( 33) = ( 0.4210526 0.0000000 -0.0000000), wk = 0.0029586 k( 34) = ( 0.4342105 0.0000000 0.0000000), wk = 0.0029586 k( 35) = ( 0.4473684 -0.0000000 0.0000000), wk = 0.0029586 k( 36) = ( 0.4605263 0.0000000 0.0000000), wk = 0.0029586 k( 37) = ( 0.4736842 0.0000000 0.0000000), wk = 0.0029586 k( 38) = ( 0.4868421 -0.0000000 0.0000000), wk = 0.0029586 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029586 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029586 k( 41) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0029586 k( 42) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0029586 k( 43) = ( 0.4772727 0.0454546 -0.0000000), wk = 0.0029586 k( 44) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0029586 k( 45) = ( 0.4621212 0.0757576 0.0000000), wk = 0.0029586 k( 46) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0029586 k( 47) = ( 0.4469697 0.1060606 0.0000000), wk = 0.0029586 k( 48) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0029586 k( 49) = ( 0.4318182 0.1363636 -0.0000000), wk = 0.0029586 k( 50) = ( 0.4242424 0.1515152 0.0000000), wk = 0.0029586 k( 51) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0029586 k( 52) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0029586 k( 53) = ( 0.4015151 0.1969697 -0.0000000), wk = 0.0029586 k( 54) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0029586 k( 55) = ( 0.3863636 0.2272727 0.0000000), wk = 0.0029586 k( 56) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0029586 k( 57) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0029586 k( 58) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0029586 k( 59) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0029586 k( 60) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0029586 k( 61) = ( 0.3409091 0.3181818 -0.0000000), wk = 0.0029586 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029586 k( 63) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029586 k( 64) = ( 0.3255814 0.3255814 0.0000000), wk = 0.0029586 k( 65) = ( 0.3178295 0.3178295 0.0000000), wk = 0.0029586 k( 66) = ( 0.3100775 0.3100775 0.0000000), wk = 0.0029586 k( 67) = ( 0.3023256 0.3023256 0.0000000), wk = 0.0029586 k( 68) = ( 0.2945736 0.2945736 0.0000000), wk = 0.0029586 k( 69) = ( 0.2868217 0.2868217 0.0000000), wk = 0.0029586 k( 70) = ( 0.2790698 0.2790698 0.0000000), wk = 0.0029586 k( 71) = ( 0.2713178 0.2713178 0.0000000), wk = 0.0029586 k( 72) = ( 0.2635659 0.2635659 0.0000000), wk = 0.0029586 k( 73) = ( 0.2558140 0.2558140 -0.0000000), wk = 0.0029586 k( 74) = ( 0.2480620 0.2480620 -0.0000000), wk = 0.0029586 k( 75) = ( 0.2403101 0.2403101 -0.0000000), wk = 0.0029586 k( 76) = ( 0.2325581 0.2325581 0.0000000), wk = 0.0029586 k( 77) = ( 0.2248062 0.2248062 -0.0000000), wk = 0.0029586 k( 78) = ( 0.2170543 0.2170543 -0.0000000), wk = 0.0029586 k( 79) = ( 0.2093023 0.2093023 0.0000000), wk = 0.0029586 k( 80) = ( 0.2015504 0.2015504 0.0000000), wk = 0.0029586 k( 81) = ( 0.1937985 0.1937985 0.0000000), wk = 0.0029586 k( 82) = ( 0.1860465 0.1860465 0.0000000), wk = 0.0029586 k( 83) = ( 0.1782946 0.1782946 -0.0000000), wk = 0.0029586 k( 84) = ( 0.1705426 0.1705426 0.0000000), wk = 0.0029586 k( 85) = ( 0.1627907 0.1627907 0.0000000), wk = 0.0029586 k( 86) = ( 0.1550388 0.1550388 0.0000000), wk = 0.0029586 k( 87) = ( 0.1472868 0.1472868 0.0000000), wk = 0.0029586 k( 88) = ( 0.1395349 0.1395349 0.0000000), wk = 0.0029586 k( 89) = ( 0.1317830 0.1317830 -0.0000000), wk = 0.0029586 k( 90) = ( 0.1240310 0.1240310 -0.0000000), wk = 0.0029586 k( 91) = ( 0.1162791 0.1162791 0.0000000), wk = 0.0029586 k( 92) = ( 0.1085271 0.1085271 -0.0000000), wk = 0.0029586 k( 93) = ( 0.1007752 0.1007752 0.0000000), wk = 0.0029586 k( 94) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0029586 k( 95) = ( 0.0852713 0.0852713 0.0000000), wk = 0.0029586 k( 96) = ( 0.0775194 0.0775194 0.0000000), wk = 0.0029586 k( 97) = ( 0.0697674 0.0697674 0.0000000), wk = 0.0029586 k( 98) = ( 0.0620155 0.0620155 0.0000000), wk = 0.0029586 k( 99) = ( 0.0542636 0.0542636 0.0000000), wk = 0.0029586 k( 100) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0029586 k( 101) = ( 0.0387597 0.0387597 0.0000000), wk = 0.0029586 k( 102) = ( 0.0310078 0.0310077 0.0000000), wk = 0.0029586 k( 103) = ( 0.0232558 0.0232558 0.0000000), wk = 0.0029586 k( 104) = ( 0.0155039 0.0155039 0.0000000), wk = 0.0029586 k( 105) = ( 0.0077519 0.0077519 0.0000000), wk = 0.0029586 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 108) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0029586 k( 109) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0029586 k( 110) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0029586 k( 111) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0029586 k( 112) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0029586 k( 113) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0029586 k( 114) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0029586 k( 115) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0029586 k( 116) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0029586 k( 117) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0029586 k( 118) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0029586 k( 119) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0029586 k( 120) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0029586 k( 121) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0029586 k( 122) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0029586 k( 123) = ( 0.0000000 0.0000000 0.1951220), wk = 0.0029586 k( 124) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0029586 k( 125) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0029586 k( 126) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0029586 k( 127) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0029586 k( 128) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0029586 k( 129) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0029586 k( 130) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0029586 k( 131) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0029586 k( 132) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0029586 k( 133) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0029586 k( 134) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0029586 k( 135) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0029586 k( 136) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0029586 k( 137) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0029586 k( 138) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0029586 k( 139) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0029586 k( 140) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0029586 k( 141) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0029586 k( 142) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0029586 k( 145) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0029586 k( 146) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0029586 k( 147) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0029586 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 150) = ( 0.0131579 0.0000000 0.5000000), wk = 0.0029586 k( 151) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0029586 k( 152) = ( 0.0394737 0.0000000 0.5000000), wk = 0.0029586 k( 153) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0029586 k( 154) = ( 0.0657895 0.0000000 0.5000000), wk = 0.0029586 k( 155) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0029586 k( 156) = ( 0.0921053 0.0000000 0.5000000), wk = 0.0029586 k( 157) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0029586 k( 158) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0029586 k( 159) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0029586 k( 160) = ( 0.1447368 0.0000000 0.5000000), wk = 0.0029586 k( 161) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0029586 k( 162) = ( 0.1710526 0.0000000 0.5000000), wk = 0.0029586 k( 163) = ( 0.1842105 0.0000000 0.5000000), wk = 0.0029586 k( 164) = ( 0.1973684 0.0000000 0.5000000), wk = 0.0029586 k( 165) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0029586 k( 166) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0029586 k( 167) = ( 0.2368421 0.0000000 0.5000000), wk = 0.0029586 k( 168) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0029586 k( 169) = ( 0.2631579 0.0000000 0.5000000), wk = 0.0029586 k( 170) = ( 0.2763158 0.0000000 0.5000000), wk = 0.0029586 k( 171) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0029586 k( 172) = ( 0.3026316 -0.0000000 0.5000000), wk = 0.0029586 k( 173) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0029586 k( 174) = ( 0.3289474 0.0000000 0.5000000), wk = 0.0029586 k( 175) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0029586 k( 176) = ( 0.3552632 0.0000000 0.5000000), wk = 0.0029586 k( 177) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0029586 k( 178) = ( 0.3815789 0.0000000 0.5000000), wk = 0.0029586 k( 179) = ( 0.3947368 0.0000000 0.5000000), wk = 0.0029586 k( 180) = ( 0.4078947 0.0000000 0.5000000), wk = 0.0029586 k( 181) = ( 0.4210526 0.0000000 0.5000000), wk = 0.0029586 k( 182) = ( 0.4342105 0.0000000 0.5000000), wk = 0.0029586 k( 183) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0029586 k( 184) = ( 0.4605263 0.0000000 0.5000000), wk = 0.0029586 k( 185) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0029586 k( 186) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0029586 k( 187) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029586 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029586 k( 189) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0029586 k( 190) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0029586 k( 191) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0029586 k( 192) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0029586 k( 193) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0029586 k( 194) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0029586 k( 195) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0029586 k( 196) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0029586 k( 197) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0029586 k( 198) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0029586 k( 199) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029586 k( 200) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0029586 k( 201) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0029586 k( 202) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0029586 k( 203) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0029586 k( 204) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0029586 k( 205) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0029586 k( 206) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0029586 k( 207) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0029586 k( 208) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0029586 k( 209) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0029586 k( 210) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 k( 211) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 k( 212) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0029586 k( 213) = ( 0.3178295 0.3178295 0.5000000), wk = 0.0029586 k( 214) = ( 0.3100775 0.3100775 0.5000000), wk = 0.0029586 k( 215) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0029586 k( 216) = ( 0.2945736 0.2945736 0.5000000), wk = 0.0029586 k( 217) = ( 0.2868217 0.2868217 0.5000000), wk = 0.0029586 k( 218) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0029586 k( 219) = ( 0.2713178 0.2713178 0.5000000), wk = 0.0029586 k( 220) = ( 0.2635659 0.2635659 0.5000000), wk = 0.0029586 k( 221) = ( 0.2558140 0.2558140 0.5000000), wk = 0.0029586 k( 222) = ( 0.2480620 0.2480620 0.5000000), wk = 0.0029586 k( 223) = ( 0.2403101 0.2403101 0.5000000), wk = 0.0029586 k( 224) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0029586 k( 225) = ( 0.2248062 0.2248062 0.5000000), wk = 0.0029586 k( 226) = ( 0.2170543 0.2170543 0.5000000), wk = 0.0029586 k( 227) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0029586 k( 228) = ( 0.2015504 0.2015504 0.5000000), wk = 0.0029586 k( 229) = ( 0.1937985 0.1937985 0.5000000), wk = 0.0029586 k( 230) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0029586 k( 231) = ( 0.1782946 0.1782946 0.5000000), wk = 0.0029586 k( 232) = ( 0.1705426 0.1705426 0.5000000), wk = 0.0029586 k( 233) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0029586 k( 234) = ( 0.1550388 0.1550388 0.5000000), wk = 0.0029586 k( 235) = ( 0.1472868 0.1472868 0.5000000), wk = 0.0029586 k( 236) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0029586 k( 237) = ( 0.1317830 0.1317830 0.5000000), wk = 0.0029586 k( 238) = ( 0.1240310 0.1240310 0.5000000), wk = 0.0029586 k( 239) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0029586 k( 240) = ( 0.1085271 0.1085271 0.5000000), wk = 0.0029586 k( 241) = ( 0.1007752 0.1007752 0.5000000), wk = 0.0029586 k( 242) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0029586 k( 243) = ( 0.0852713 0.0852713 0.5000000), wk = 0.0029586 k( 244) = ( 0.0775194 0.0775194 0.5000000), wk = 0.0029586 k( 245) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0029586 k( 246) = ( 0.0620155 0.0620155 0.5000000), wk = 0.0029586 k( 247) = ( 0.0542636 0.0542636 0.5000000), wk = 0.0029586 k( 248) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0029586 k( 249) = ( 0.0387597 0.0387597 0.5000000), wk = 0.0029586 k( 250) = ( 0.0310078 0.0310077 0.5000000), wk = 0.0029586 k( 251) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0029586 k( 252) = ( 0.0155039 0.0155039 0.5000000), wk = 0.0029586 k( 253) = ( 0.0077519 0.0077519 0.5000000), wk = 0.0029586 k( 254) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 255) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029586 k( 256) = ( 0.5000000 0.0000000 0.4878049), wk = 0.0029586 k( 257) = ( 0.5000000 0.0000000 0.4756098), wk = 0.0029586 k( 258) = ( 0.5000000 0.0000000 0.4634146), wk = 0.0029586 k( 259) = ( 0.5000000 0.0000000 0.4512195), wk = 0.0029586 k( 260) = ( 0.5000000 0.0000000 0.4390244), wk = 0.0029586 k( 261) = ( 0.5000000 0.0000000 0.4268293), wk = 0.0029586 k( 262) = ( 0.5000000 0.0000000 0.4146341), wk = 0.0029586 k( 263) = ( 0.5000000 0.0000000 0.4024390), wk = 0.0029586 k( 264) = ( 0.5000000 0.0000000 0.3902439), wk = 0.0029586 k( 265) = ( 0.5000000 0.0000000 0.3780488), wk = 0.0029586 k( 266) = ( 0.5000000 0.0000000 0.3658537), wk = 0.0029586 k( 267) = ( 0.5000000 0.0000000 0.3536585), wk = 0.0029586 k( 268) = ( 0.5000000 0.0000000 0.3414634), wk = 0.0029586 k( 269) = ( 0.5000000 0.0000000 0.3292683), wk = 0.0029586 k( 270) = ( 0.5000000 0.0000000 0.3170732), wk = 0.0029586 k( 271) = ( 0.5000000 0.0000000 0.3048781), wk = 0.0029586 k( 272) = ( 0.5000000 0.0000000 0.2926829), wk = 0.0029586 k( 273) = ( 0.5000000 0.0000000 0.2804878), wk = 0.0029586 k( 274) = ( 0.5000000 0.0000000 0.2682927), wk = 0.0029586 k( 275) = ( 0.5000000 0.0000000 0.2560976), wk = 0.0029586 k( 276) = ( 0.5000000 0.0000000 0.2439024), wk = 0.0029586 k( 277) = ( 0.5000000 0.0000000 0.2317073), wk = 0.0029586 k( 278) = ( 0.5000000 0.0000000 0.2195122), wk = 0.0029586 k( 279) = ( 0.5000000 0.0000000 0.2073171), wk = 0.0029586 k( 280) = ( 0.5000000 0.0000000 0.1951219), wk = 0.0029586 k( 281) = ( 0.5000000 0.0000000 0.1829268), wk = 0.0029586 k( 282) = ( 0.5000000 0.0000000 0.1707317), wk = 0.0029586 k( 283) = ( 0.5000000 0.0000000 0.1585366), wk = 0.0029586 k( 284) = ( 0.5000000 0.0000000 0.1463415), wk = 0.0029586 k( 285) = ( 0.5000000 0.0000000 0.1341463), wk = 0.0029586 k( 286) = ( 0.5000000 0.0000000 0.1219512), wk = 0.0029586 k( 287) = ( 0.5000000 0.0000000 0.1097561), wk = 0.0029586 k( 288) = ( 0.5000000 0.0000000 0.0975610), wk = 0.0029586 k( 289) = ( 0.5000000 0.0000000 0.0853658), wk = 0.0029586 k( 290) = ( 0.5000000 0.0000000 0.0731707), wk = 0.0029586 k( 291) = ( 0.5000000 0.0000000 0.0609756), wk = 0.0029586 k( 292) = ( 0.5000000 0.0000000 0.0487805), wk = 0.0029586 k( 293) = ( 0.5000000 0.0000000 0.0365854), wk = 0.0029586 k( 294) = ( 0.5000000 0.0000000 0.0243902), wk = 0.0029586 k( 295) = ( 0.5000000 0.0000000 0.0121951), wk = 0.0029586 k( 296) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029586 k( 297) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029586 k( 298) = ( 0.3333333 0.3333333 0.0121951), wk = 0.0029586 k( 299) = ( 0.3333333 0.3333333 0.0243902), wk = 0.0029586 k( 300) = ( 0.3333333 0.3333333 0.0365854), wk = 0.0029586 k( 301) = ( 0.3333333 0.3333333 0.0487805), wk = 0.0029586 k( 302) = ( 0.3333333 0.3333333 0.0609756), wk = 0.0029586 k( 303) = ( 0.3333333 0.3333333 0.0731707), wk = 0.0029586 k( 304) = ( 0.3333333 0.3333333 0.0853659), wk = 0.0029586 k( 305) = ( 0.3333333 0.3333333 0.0975610), wk = 0.0029586 k( 306) = ( 0.3333333 0.3333333 0.1097561), wk = 0.0029586 k( 307) = ( 0.3333333 0.3333333 0.1219512), wk = 0.0029586 k( 308) = ( 0.3333333 0.3333333 0.1341463), wk = 0.0029586 k( 309) = ( 0.3333333 0.3333333 0.1463415), wk = 0.0029586 k( 310) = ( 0.3333333 0.3333333 0.1585366), wk = 0.0029586 k( 311) = ( 0.3333333 0.3333333 0.1707317), wk = 0.0029586 k( 312) = ( 0.3333333 0.3333333 0.1829268), wk = 0.0029586 k( 313) = ( 0.3333333 0.3333333 0.1951220), wk = 0.0029586 k( 314) = ( 0.3333333 0.3333333 0.2073171), wk = 0.0029586 k( 315) = ( 0.3333333 0.3333333 0.2195122), wk = 0.0029586 k( 316) = ( 0.3333333 0.3333333 0.2317073), wk = 0.0029586 k( 317) = ( 0.3333333 0.3333333 0.2439024), wk = 0.0029586 k( 318) = ( 0.3333333 0.3333333 0.2560976), wk = 0.0029586 k( 319) = ( 0.3333333 0.3333333 0.2682927), wk = 0.0029586 k( 320) = ( 0.3333333 0.3333333 0.2804878), wk = 0.0029586 k( 321) = ( 0.3333333 0.3333333 0.2926829), wk = 0.0029586 k( 322) = ( 0.3333333 0.3333333 0.3048781), wk = 0.0029586 k( 323) = ( 0.3333333 0.3333333 0.3170732), wk = 0.0029586 k( 324) = ( 0.3333333 0.3333333 0.3292683), wk = 0.0029586 k( 325) = ( 0.3333333 0.3333333 0.3414634), wk = 0.0029586 k( 326) = ( 0.3333333 0.3333333 0.3536585), wk = 0.0029586 k( 327) = ( 0.3333333 0.3333333 0.3658537), wk = 0.0029586 k( 328) = ( 0.3333333 0.3333333 0.3780488), wk = 0.0029586 k( 329) = ( 0.3333333 0.3333333 0.3902439), wk = 0.0029586 k( 330) = ( 0.3333333 0.3333333 0.4024390), wk = 0.0029586 k( 331) = ( 0.3333333 0.3333333 0.4146341), wk = 0.0029586 k( 332) = ( 0.3333333 0.3333333 0.4268293), wk = 0.0029586 k( 333) = ( 0.3333333 0.3333333 0.4390244), wk = 0.0029586 k( 334) = ( 0.3333333 0.3333333 0.4512195), wk = 0.0029586 k( 335) = ( 0.3333333 0.3333333 0.4634146), wk = 0.0029586 k( 336) = ( 0.3333333 0.3333333 0.4756098), wk = 0.0029586 k( 337) = ( 0.3333333 0.3333333 0.4878049), wk = 0.0029586 k( 338) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 Dense grid: 54151 G-vectors FFT dimensions: ( 54, 54, 45) Smooth grid: 19151 G-vectors FFT dimensions: ( 40, 40, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 150, 48) NL pseudopotentials 0.16 Mb ( 75, 140) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1508) G-vector shells 0.01 Mb ( 744) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.44 Mb ( 150, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.21 Mb ( 140, 2, 48) Check: negative/imaginary core charge= -0.000013 0.000000 The potential is recalculated from file : ./C.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.4 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.8 secs Computing kpt #: 9 total cpu time spent up to now is 4.1 secs Computing kpt #: 10 total cpu time spent up to now is 4.5 secs Computing kpt #: 11 total cpu time spent up to now is 4.8 secs Computing kpt #: 12 total cpu time spent up to now is 5.1 secs Computing kpt #: 13 total cpu time spent up to now is 5.5 secs Computing kpt #: 14 total cpu time spent up to now is 5.8 secs Computing kpt #: 15 total cpu time spent up to now is 6.1 secs Computing kpt #: 16 total cpu time spent up to now is 6.5 secs Computing kpt #: 17 total cpu time spent up to now is 6.8 secs Computing kpt #: 18 total cpu time spent up to now is 7.1 secs Computing kpt #: 19 total cpu time spent up to now is 7.5 secs Computing kpt #: 20 total cpu time spent up to now is 7.8 secs Computing kpt #: 21 total cpu time spent up to now is 8.1 secs Computing kpt #: 22 total cpu time spent up to now is 8.4 secs Computing kpt #: 23 total cpu time spent up to now is 8.8 secs Computing kpt #: 24 total cpu time spent up to now is 9.1 secs Computing kpt #: 25 total cpu time spent up to now is 9.4 secs Computing kpt #: 26 total cpu time spent up to now is 9.8 secs Computing kpt #: 27 total cpu time spent up to now is 10.1 secs Computing kpt #: 28 total cpu time spent up to now is 10.4 secs Computing kpt #: 29 total cpu time spent up to now is 10.7 secs Computing kpt #: 30 total cpu time spent up to now is 11.1 secs Computing kpt #: 31 total cpu time spent up to now is 11.4 secs Computing kpt #: 32 total cpu time spent up to now is 11.8 secs Computing kpt #: 33 total cpu time spent up to now is 12.1 secs Computing kpt #: 34 total cpu time spent up to now is 12.5 secs Computing kpt #: 35 total cpu time spent up to now is 12.8 secs Computing kpt #: 36 total cpu time spent up to now is 13.2 secs Computing kpt #: 37 total cpu time spent up to now is 13.6 secs Computing kpt #: 38 total cpu time spent up to now is 14.0 secs Computing kpt #: 39 total cpu time spent up to now is 14.4 secs Computing kpt #: 40 total cpu time spent up to now is 14.9 secs Computing kpt #: 41 total cpu time spent up to now is 15.3 secs Computing kpt #: 42 total cpu time spent up to now is 15.9 secs Computing kpt #: 43 total cpu time spent up to now is 16.2 secs Computing kpt #: 44 total cpu time spent up to now is 16.7 secs Computing kpt #: 45 total cpu time spent up to now is 17.1 secs Computing kpt #: 46 total cpu time spent up to now is 17.5 secs Computing kpt #: 47 total cpu time spent up to now is 18.0 secs Computing kpt #: 48 total cpu time spent up to now is 18.4 secs Computing kpt #: 49 total cpu time spent up to now is 18.7 secs Computing kpt #: 50 total cpu time spent up to now is 19.1 secs Computing kpt #: 51 total cpu time spent up to now is 19.4 secs Computing kpt #: 52 total cpu time spent up to now is 19.8 secs Computing kpt #: 53 total cpu time spent up to now is 20.1 secs Computing kpt #: 54 total cpu time spent up to now is 20.5 secs Computing kpt #: 55 total cpu time spent up to now is 20.8 secs Computing kpt #: 56 total cpu time spent up to now is 21.2 secs Computing kpt #: 57 total cpu time spent up to now is 21.5 secs Computing kpt #: 58 total cpu time spent up to now is 21.9 secs Computing kpt #: 59 total cpu time spent up to now is 22.3 secs Computing kpt #: 60 total cpu time spent up to now is 22.6 secs Computing kpt #: 61 total cpu time spent up to now is 23.0 secs Computing kpt #: 62 total cpu time spent up to now is 23.3 secs Computing kpt #: 63 total cpu time spent up to now is 23.6 secs Computing kpt #: 64 total cpu time spent up to now is 24.1 secs Computing kpt #: 65 total cpu time spent up to now is 24.5 secs Computing kpt #: 66 total cpu time spent up to now is 24.9 secs Computing kpt #: 67 total cpu time spent up to now is 25.2 secs Computing kpt #: 68 total cpu time spent up to now is 25.6 secs Computing kpt #: 69 total cpu time spent up to now is 25.9 secs Computing kpt #: 70 total cpu time spent up to now is 26.3 secs Computing kpt #: 71 total cpu time spent up to now is 26.6 secs Computing kpt #: 72 total cpu time spent up to now is 27.0 secs Computing kpt #: 73 total cpu time spent up to now is 27.3 secs Computing kpt #: 74 total cpu time spent up to now is 27.6 secs Computing kpt #: 75 total cpu time spent up to now is 27.9 secs Computing kpt #: 76 total cpu time spent up to now is 28.4 secs Computing kpt #: 77 total cpu time spent up to now is 28.8 secs Computing kpt #: 78 total cpu time spent up to now is 29.1 secs Computing kpt #: 79 total cpu time spent up to now is 29.5 secs Computing kpt #: 80 total cpu time spent up to now is 29.9 secs Computing kpt #: 81 total cpu time spent up to now is 30.3 secs Computing kpt #: 82 total cpu time spent up to now is 30.6 secs Computing kpt #: 83 total cpu time spent up to now is 31.0 secs Computing kpt #: 84 total cpu time spent up to now is 31.3 secs Computing kpt #: 85 total cpu time spent up to now is 31.7 secs Computing kpt #: 86 total cpu time spent up to now is 32.0 secs Computing kpt #: 87 total cpu time spent up to now is 32.3 secs Computing kpt #: 88 total cpu time spent up to now is 32.6 secs Computing kpt #: 89 total cpu time spent up to now is 32.9 secs Computing kpt #: 90 total cpu time spent up to now is 33.3 secs Computing kpt #: 91 total cpu time spent up to now is 33.6 secs Computing kpt #: 92 total cpu time spent up to now is 33.9 secs Computing kpt #: 93 total cpu time spent up to now is 34.3 secs Computing kpt #: 94 total cpu time spent up to now is 34.6 secs Computing kpt #: 95 total cpu time spent up to now is 34.9 secs Computing kpt #: 96 total cpu time spent up to now is 35.3 secs Computing kpt #: 97 total cpu time spent up to now is 35.6 secs Computing kpt #: 98 total cpu time spent up to now is 35.9 secs Computing kpt #: 99 total cpu time spent up to now is 36.2 secs Computing kpt #: 100 total cpu time spent up to now is 36.6 secs Computing kpt #: 101 total cpu time spent up to now is 36.9 secs Computing kpt #: 102 total cpu time spent up to now is 37.2 secs Computing kpt #: 103 total cpu time spent up to now is 37.6 secs Computing kpt #: 104 total cpu time spent up to now is 37.9 secs Computing kpt #: 105 total cpu time spent up to now is 38.2 secs Computing kpt #: 106 total cpu time spent up to now is 38.6 secs Computing kpt #: 107 total cpu time spent up to now is 38.9 secs Computing kpt #: 108 total cpu time spent up to now is 39.2 secs Computing kpt #: 109 total cpu time spent up to now is 39.6 secs Computing kpt #: 110 total cpu time spent up to now is 39.9 secs Computing kpt #: 111 total cpu time spent up to now is 40.3 secs Computing kpt #: 112 total cpu time spent up to now is 40.6 secs Computing kpt #: 113 total cpu time spent up to now is 41.0 secs Computing kpt #: 114 total cpu time spent up to now is 41.3 secs Computing kpt #: 115 total cpu time spent up to now is 41.7 secs Computing kpt #: 116 total cpu time spent up to now is 42.0 secs Computing kpt #: 117 total cpu time spent up to now is 42.4 secs Computing kpt #: 118 total cpu time spent up to now is 42.8 secs Computing kpt #: 119 total cpu time spent up to now is 43.1 secs Computing kpt #: 120 total cpu time spent up to now is 43.5 secs Computing kpt #: 121 total cpu time spent up to now is 43.8 secs Computing kpt #: 122 total cpu time spent up to now is 44.4 secs Computing kpt #: 123 total cpu time spent up to now is 44.8 secs Computing kpt #: 124 total cpu time spent up to now is 45.2 secs Computing kpt #: 125 total cpu time spent up to now is 45.5 secs Computing kpt #: 126 total cpu time spent up to now is 45.9 secs Computing kpt #: 127 total cpu time spent up to now is 46.3 secs Computing kpt #: 128 total cpu time spent up to now is 46.6 secs Computing kpt #: 129 total cpu time spent up to now is 46.9 secs Computing kpt #: 130 total cpu time spent up to now is 47.3 secs Computing kpt #: 131 total cpu time spent up to now is 47.6 secs Computing kpt #: 132 total cpu time spent up to now is 47.9 secs Computing kpt #: 133 total cpu time spent up to now is 48.2 secs Computing kpt #: 134 total cpu time spent up to now is 48.4 secs Computing kpt #: 135 total cpu time spent up to now is 48.7 secs Computing kpt #: 136 total cpu time spent up to now is 48.9 secs Computing kpt #: 137 total cpu time spent up to now is 49.2 secs Computing kpt #: 138 total cpu time spent up to now is 49.4 secs Computing kpt #: 139 total cpu time spent up to now is 49.7 secs Computing kpt #: 140 total cpu time spent up to now is 49.9 secs Computing kpt #: 141 total cpu time spent up to now is 50.2 secs Computing kpt #: 142 total cpu time spent up to now is 50.4 secs Computing kpt #: 143 total cpu time spent up to now is 50.6 secs Computing kpt #: 144 total cpu time spent up to now is 50.9 secs Computing kpt #: 145 total cpu time spent up to now is 51.1 secs Computing kpt #: 146 total cpu time spent up to now is 51.3 secs Computing kpt #: 147 total cpu time spent up to now is 51.6 secs Computing kpt #: 148 total cpu time spent up to now is 51.8 secs Computing kpt #: 149 total cpu time spent up to now is 52.0 secs Computing kpt #: 150 total cpu time spent up to now is 52.3 secs Computing kpt #: 151 total cpu time spent up to now is 52.5 secs Computing kpt #: 152 total cpu time spent up to now is 52.7 secs Computing kpt #: 153 total cpu time spent up to now is 53.0 secs Computing kpt #: 154 total cpu time spent up to now is 53.2 secs Computing kpt #: 155 total cpu time spent up to now is 53.5 secs Computing kpt #: 156 total cpu time spent up to now is 53.7 secs Computing kpt #: 157 total cpu time spent up to now is 53.9 secs Computing kpt #: 158 total cpu time spent up to now is 54.2 secs Computing kpt #: 159 total cpu time spent up to now is 54.4 secs Computing kpt #: 160 total cpu time spent up to now is 54.7 secs Computing kpt #: 161 total cpu time spent up to now is 54.9 secs Computing kpt #: 162 total cpu time spent up to now is 55.2 secs Computing kpt #: 163 total cpu time spent up to now is 55.4 secs Computing kpt #: 164 total cpu time spent up to now is 55.7 secs Computing kpt #: 165 total cpu time spent up to now is 56.0 secs Computing kpt #: 166 total cpu time spent up to now is 56.2 secs Computing kpt #: 167 total cpu time spent up to now is 56.5 secs Computing kpt #: 168 total cpu time spent up to now is 56.8 secs Computing kpt #: 169 total cpu time spent up to now is 57.2 secs Computing kpt #: 170 total cpu time spent up to now is 57.5 secs Computing kpt #: 171 total cpu time spent up to now is 57.8 secs Computing kpt #: 172 total cpu time spent up to now is 58.2 secs Computing kpt #: 173 total cpu time spent up to now is 58.5 secs Computing kpt #: 174 total cpu time spent up to now is 58.8 secs Computing kpt #: 175 total cpu time spent up to now is 59.2 secs Computing kpt #: 176 total cpu time spent up to now is 59.5 secs Computing kpt #: 177 total cpu time spent up to now is 59.8 secs Computing kpt #: 178 total cpu time spent up to now is 60.2 secs Computing kpt #: 179 total cpu time spent up to now is 60.5 secs Computing kpt #: 180 total cpu time spent up to now is 60.9 secs Computing kpt #: 181 total cpu time spent up to now is 61.2 secs Computing kpt #: 182 total cpu time spent up to now is 61.6 secs Computing kpt #: 183 total cpu time spent up to now is 61.9 secs Computing kpt #: 184 total cpu time spent up to now is 62.2 secs Computing kpt #: 185 total cpu time spent up to now is 62.6 secs Computing kpt #: 186 total cpu time spent up to now is 63.0 secs Computing kpt #: 187 total cpu time spent up to now is 63.3 secs Computing kpt #: 188 total cpu time spent up to now is 63.6 secs Computing kpt #: 189 total cpu time spent up to now is 64.0 secs Computing kpt #: 190 total cpu time spent up to now is 64.3 secs Computing kpt #: 191 total cpu time spent up to now is 64.7 secs Computing kpt #: 192 total cpu time spent up to now is 65.0 secs Computing kpt #: 193 total cpu time spent up to now is 65.3 secs Computing kpt #: 194 total cpu time spent up to now is 65.7 secs Computing kpt #: 195 total cpu time spent up to now is 66.0 secs Computing kpt #: 196 total cpu time spent up to now is 66.3 secs Computing kpt #: 197 total cpu time spent up to now is 66.7 secs Computing kpt #: 198 total cpu time spent up to now is 67.0 secs Computing kpt #: 199 total cpu time spent up to now is 67.3 secs Computing kpt #: 200 total cpu time spent up to now is 67.7 secs Computing kpt #: 201 total cpu time spent up to now is 68.0 secs Computing kpt #: 202 total cpu time spent up to now is 68.4 secs Computing kpt #: 203 total cpu time spent up to now is 68.7 secs Computing kpt #: 204 total cpu time spent up to now is 69.0 secs Computing kpt #: 205 total cpu time spent up to now is 69.4 secs Computing kpt #: 206 total cpu time spent up to now is 69.7 secs Computing kpt #: 207 total cpu time spent up to now is 70.1 secs Computing kpt #: 208 total cpu time spent up to now is 70.5 secs Computing kpt #: 209 total cpu time spent up to now is 70.9 secs Computing kpt #: 210 total cpu time spent up to now is 71.4 secs Computing kpt #: 211 total cpu time spent up to now is 71.9 secs Computing kpt #: 212 total cpu time spent up to now is 72.4 secs Computing kpt #: 213 total cpu time spent up to now is 72.7 secs Computing kpt #: 214 total cpu time spent up to now is 73.1 secs Computing kpt #: 215 total cpu time spent up to now is 73.4 secs Computing kpt #: 216 total cpu time spent up to now is 73.8 secs Computing kpt #: 217 total cpu time spent up to now is 74.1 secs Computing kpt #: 218 total cpu time spent up to now is 74.5 secs Computing kpt #: 219 total cpu time spent up to now is 74.8 secs Computing kpt #: 220 total cpu time spent up to now is 75.1 secs Computing kpt #: 221 total cpu time spent up to now is 75.5 secs Computing kpt #: 222 total cpu time spent up to now is 75.8 secs Computing kpt #: 223 total cpu time spent up to now is 76.1 secs Computing kpt #: 224 total cpu time spent up to now is 76.5 secs Computing kpt #: 225 total cpu time spent up to now is 76.8 secs Computing kpt #: 226 total cpu time spent up to now is 77.1 secs Computing kpt #: 227 total cpu time spent up to now is 77.5 secs Computing kpt #: 228 total cpu time spent up to now is 77.8 secs Computing kpt #: 229 total cpu time spent up to now is 78.1 secs Computing kpt #: 230 total cpu time spent up to now is 78.4 secs Computing kpt #: 231 total cpu time spent up to now is 78.7 secs Computing kpt #: 232 total cpu time spent up to now is 79.0 secs Computing kpt #: 233 total cpu time spent up to now is 79.3 secs Computing kpt #: 234 total cpu time spent up to now is 79.6 secs Computing kpt #: 235 total cpu time spent up to now is 79.9 secs Computing kpt #: 236 total cpu time spent up to now is 80.2 secs Computing kpt #: 237 total cpu time spent up to now is 80.4 secs Computing kpt #: 238 total cpu time spent up to now is 80.7 secs Computing kpt #: 239 total cpu time spent up to now is 81.0 secs Computing kpt #: 240 total cpu time spent up to now is 81.2 secs Computing kpt #: 241 total cpu time spent up to now is 81.5 secs Computing kpt #: 242 total cpu time spent up to now is 81.7 secs Computing kpt #: 243 total cpu time spent up to now is 82.0 secs Computing kpt #: 244 total cpu time spent up to now is 82.2 secs Computing kpt #: 245 total cpu time spent up to now is 82.5 secs Computing kpt #: 246 total cpu time spent up to now is 82.7 secs Computing kpt #: 247 total cpu time spent up to now is 82.9 secs Computing kpt #: 248 total cpu time spent up to now is 83.2 secs Computing kpt #: 249 total cpu time spent up to now is 83.4 secs Computing kpt #: 250 total cpu time spent up to now is 83.7 secs Computing kpt #: 251 total cpu time spent up to now is 83.9 secs Computing kpt #: 252 total cpu time spent up to now is 84.1 secs Computing kpt #: 253 total cpu time spent up to now is 84.4 secs Computing kpt #: 254 total cpu time spent up to now is 84.6 secs Computing kpt #: 255 total cpu time spent up to now is 84.9 secs Computing kpt #: 256 total cpu time spent up to now is 85.3 secs Computing kpt #: 257 total cpu time spent up to now is 85.6 secs Computing kpt #: 258 total cpu time spent up to now is 85.9 secs Computing kpt #: 259 total cpu time spent up to now is 86.2 secs Computing kpt #: 260 total cpu time spent up to now is 86.5 secs Computing kpt #: 261 total cpu time spent up to now is 86.8 secs Computing kpt #: 262 total cpu time spent up to now is 87.1 secs Computing kpt #: 263 total cpu time spent up to now is 87.3 secs Computing kpt #: 264 total cpu time spent up to now is 87.6 secs Computing kpt #: 265 total cpu time spent up to now is 87.9 secs Computing kpt #: 266 total cpu time spent up to now is 88.1 secs Computing kpt #: 267 total cpu time spent up to now is 88.4 secs Computing kpt #: 268 total cpu time spent up to now is 88.6 secs Computing kpt #: 269 total cpu time spent up to now is 88.9 secs Computing kpt #: 270 total cpu time spent up to now is 89.1 secs Computing kpt #: 271 total cpu time spent up to now is 89.4 secs Computing kpt #: 272 total cpu time spent up to now is 89.6 secs Computing kpt #: 273 total cpu time spent up to now is 89.9 secs Computing kpt #: 274 total cpu time spent up to now is 90.1 secs Computing kpt #: 275 total cpu time spent up to now is 90.4 secs Computing kpt #: 276 total cpu time spent up to now is 90.7 secs Computing kpt #: 277 total cpu time spent up to now is 90.9 secs Computing kpt #: 278 total cpu time spent up to now is 91.2 secs Computing kpt #: 279 total cpu time spent up to now is 91.5 secs Computing kpt #: 280 total cpu time spent up to now is 91.8 secs Computing kpt #: 281 total cpu time spent up to now is 92.1 secs Computing kpt #: 282 total cpu time spent up to now is 92.5 secs Computing kpt #: 283 total cpu time spent up to now is 92.9 secs Computing kpt #: 284 total cpu time spent up to now is 93.3 secs Computing kpt #: 285 total cpu time spent up to now is 93.6 secs Computing kpt #: 286 total cpu time spent up to now is 94.0 secs Computing kpt #: 287 total cpu time spent up to now is 94.4 secs Computing kpt #: 288 total cpu time spent up to now is 94.8 secs Computing kpt #: 289 total cpu time spent up to now is 95.3 secs Computing kpt #: 290 total cpu time spent up to now is 95.7 secs Computing kpt #: 291 total cpu time spent up to now is 96.1 secs Computing kpt #: 292 total cpu time spent up to now is 96.5 secs Computing kpt #: 293 total cpu time spent up to now is 97.0 secs Computing kpt #: 294 total cpu time spent up to now is 97.4 secs Computing kpt #: 295 total cpu time spent up to now is 97.9 secs Computing kpt #: 296 total cpu time spent up to now is 98.3 secs Computing kpt #: 297 total cpu time spent up to now is 98.6 secs Computing kpt #: 298 total cpu time spent up to now is 98.9 secs Computing kpt #: 299 total cpu time spent up to now is 99.3 secs Computing kpt #: 300 total cpu time spent up to now is 99.6 secs Computing kpt #: 301 total cpu time spent up to now is 100.0 secs Computing kpt #: 302 total cpu time spent up to now is 100.4 secs Computing kpt #: 303 total cpu time spent up to now is 100.7 secs Computing kpt #: 304 total cpu time spent up to now is 101.1 secs Computing kpt #: 305 total cpu time spent up to now is 101.5 secs Computing kpt #: 306 total cpu time spent up to now is 101.9 secs Computing kpt #: 307 total cpu time spent up to now is 102.2 secs Computing kpt #: 308 total cpu time spent up to now is 102.6 secs Computing kpt #: 309 total cpu time spent up to now is 103.0 secs Computing kpt #: 310 total cpu time spent up to now is 103.4 secs Computing kpt #: 311 total cpu time spent up to now is 103.7 secs Computing kpt #: 312 total cpu time spent up to now is 104.1 secs Computing kpt #: 313 total cpu time spent up to now is 104.5 secs Computing kpt #: 314 total cpu time spent up to now is 104.8 secs Computing kpt #: 315 total cpu time spent up to now is 105.2 secs Computing kpt #: 316 total cpu time spent up to now is 105.6 secs Computing kpt #: 317 total cpu time spent up to now is 106.0 secs Computing kpt #: 318 total cpu time spent up to now is 106.3 secs Computing kpt #: 319 total cpu time spent up to now is 106.7 secs Computing kpt #: 320 total cpu time spent up to now is 107.1 secs Computing kpt #: 321 total cpu time spent up to now is 107.4 secs Computing kpt #: 322 total cpu time spent up to now is 107.8 secs Computing kpt #: 323 total cpu time spent up to now is 108.2 secs Computing kpt #: 324 total cpu time spent up to now is 108.6 secs Computing kpt #: 325 total cpu time spent up to now is 108.9 secs Computing kpt #: 326 total cpu time spent up to now is 109.3 secs Computing kpt #: 327 total cpu time spent up to now is 109.8 secs Computing kpt #: 328 total cpu time spent up to now is 110.3 secs Computing kpt #: 329 total cpu time spent up to now is 110.8 secs Computing kpt #: 330 total cpu time spent up to now is 111.3 secs Computing kpt #: 331 total cpu time spent up to now is 111.7 secs Computing kpt #: 332 total cpu time spent up to now is 112.2 secs Computing kpt #: 333 total cpu time spent up to now is 112.8 secs Computing kpt #: 334 total cpu time spent up to now is 113.3 secs Computing kpt #: 335 total cpu time spent up to now is 113.8 secs Computing kpt #: 336 total cpu time spent up to now is 114.4 secs Computing kpt #: 337 total cpu time spent up to now is 115.3 secs Computing kpt #: 338 total cpu time spent up to now is 115.8 secs ethr = 2.50E-08, avg # of iterations = 25.7 total cpu time spent up to now is 115.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2379 PWs) bands (ev): -12.5762 -12.5762 -8.7079 -8.7079 -7.1461 -7.1461 -7.1454 -7.1454 -5.5688 -5.5688 -5.0813 -5.0813 -1.9938 -1.9938 -1.3675 -1.3675 -1.1143 -1.1143 -1.1137 -1.1137 0.1995 0.1995 0.2011 0.2011 0.3820 0.3820 0.3841 0.3841 4.8693 4.8693 4.8704 4.8704 5.4612 5.4612 5.4677 5.4677 5.7286 5.7286 7.8246 7.8246 9.6866 9.6866 12.9222 12.9222 12.9293 12.9293 13.0967 13.0967 k = 0.0132 0.0076-0.0000 ( 2379 PWs) bands (ev): -12.5754 -12.5754 -8.7140 -8.7140 -7.1461 -7.1461 -7.1395 -7.1395 -5.5683 -5.5683 -5.0806 -5.0806 -1.9970 -1.9970 -1.3717 -1.3717 -1.1146 -1.1146 -1.1125 -1.1125 0.2001 0.2001 0.2056 0.2056 0.3824 0.3824 0.3870 0.3870 4.8690 4.8690 4.8712 4.8712 5.4570 5.4570 5.4653 5.4653 5.7292 5.7292 7.8221 7.8221 9.6899 9.6899 12.9198 12.9198 12.9274 12.9274 13.0980 13.0984 k = 0.0263 0.0152-0.0000 ( 2383 PWs) bands (ev): -12.5730 -12.5730 -8.7319 -8.7319 -7.1469 -7.1469 -7.1211 -7.1211 -5.5667 -5.5667 -5.0786 -5.0786 -2.0067 -2.0067 -1.3841 -1.3841 -1.1164 -1.1164 -1.1083 -1.1083 0.1998 0.1998 0.2210 0.2210 0.3816 0.3816 0.3977 0.3977 4.8668 4.8668 4.8744 4.8744 5.4408 5.4408 5.4622 5.4622 5.7307 5.7307 7.8145 7.8145 9.7000 9.7000 12.9105 12.9105 12.9240 12.9240 13.1014 13.1014 k = 0.0395 0.0228-0.0000 ( 2389 PWs) bands (ev): -12.5692 -12.5692 -8.7608 -8.7608 -7.1484 -7.1484 -7.0914 -7.0914 -5.5640 -5.5640 -5.0752 -5.0752 -2.0226 -2.0226 -1.4045 -1.4045 -1.1192 -1.1192 -1.1012 -1.1012 0.1994 0.1994 0.2461 0.2461 0.3799 0.3799 0.4156 0.4156 4.8629 4.8629 4.8800 4.8800 5.4137 5.4137 5.4585 5.4585 5.7318 5.7318 7.8021 7.8021 9.7166 9.7166 12.8934 12.8934 12.9202 12.9202 13.1069 13.1069 k = 0.0526 0.0304-0.0000 ( 2395 PWs) bands (ev): -12.5637 -12.5637 -8.7995 -8.7995 -7.1504 -7.1504 -7.0516 -7.0516 -5.5603 -5.5603 -5.0705 -5.0705 -2.0444 -2.0444 -1.4320 -1.4320 -1.1226 -1.1226 -1.0913 -1.0913 0.1988 0.1988 0.2803 0.2803 0.3775 0.3775 0.4403 0.4403 4.8574 4.8574 4.8878 4.8878 5.3778 5.3778 5.4537 5.4537 5.7313 5.7313 7.7849 7.7849 9.7399 9.7399 12.8691 12.8691 12.9152 12.9152 13.1145 13.1145 k = 0.0658 0.0380-0.0000 ( 2385 PWs) bands (ev): -12.5567 -12.5567 -8.8465 -8.8465 -7.1529 -7.1529 -7.0032 -7.0032 -5.5554 -5.5554 -5.0644 -5.0644 -2.0717 -2.0717 -1.4660 -1.4660 -1.1266 -1.1266 -1.0787 -1.0787 0.1980 0.1980 0.3225 0.3225 0.3744 0.3744 0.4713 0.4713 4.8505 4.8505 4.8978 4.8978 5.3346 5.3346 5.4474 5.4474 5.7283 5.7283 7.7631 7.7631 9.7697 9.7697 12.8389 12.8389 12.9091 12.9091 13.1243 13.1243 k = 0.0789 0.0456-0.0000 ( 2385 PWs) bands (ev): -12.5482 -12.5482 -8.9006 -8.9006 -7.1560 -7.1560 -6.9475 -6.9475 -5.5496 -5.5496 -5.0570 -5.0570 -2.1041 -2.1041 -1.5055 -1.5055 -1.1311 -1.1311 -1.0633 -1.0633 0.1971 0.1971 0.3707 0.3707 0.3716 0.3716 0.5082 0.5082 4.8421 4.8421 4.9099 4.9099 5.2851 5.2851 5.4397 5.4397 5.7219 5.7219 7.7372 7.7372 9.8058 9.8058 12.8028 12.8028 12.9016 12.9016 13.1362 13.1362 k = 0.0921 0.0532-0.0000 ( 2391 PWs) bands (ev): -12.5382 -12.5382 -8.9603 -8.9603 -7.1595 -7.1595 -6.8860 -6.8860 -5.5427 -5.5427 -5.0483 -5.0483 -2.1411 -2.1411 -1.5497 -1.5497 -1.1359 -1.1359 -1.0454 -1.0454 0.1960 0.1960 0.3665 0.3665 0.4264 0.4264 0.5504 0.5504 4.8321 4.8321 4.9240 4.9240 5.2303 5.2303 5.4305 5.4305 5.7118 5.7118 7.7072 7.7072 9.8482 9.8482 12.7617 12.7617 12.8927 12.8927 13.1501 13.1501 k = 0.1053 0.0608-0.0000 ( 2393 PWs) bands (ev): -12.5266 -12.5266 -9.0247 -9.0247 -7.1636 -7.1636 -6.8198 -6.8198 -5.5348 -5.5348 -5.0382 -5.0382 -2.1821 -2.1821 -1.5975 -1.5975 -1.1410 -1.1410 -1.0249 -1.0249 0.1947 0.1947 0.3616 0.3616 0.4863 0.4863 0.5974 0.5974 4.8208 4.8208 4.9400 4.9400 5.1709 5.1709 5.4198 5.4198 5.6977 5.6977 7.6737 7.6737 9.8968 9.8968 12.7157 12.7157 12.8823 12.8823 13.1661 13.1661 k = 0.1184 0.0684-0.0000 ( 2403 PWs) bands (ev): -12.5135 -12.5135 -9.0927 -9.0927 -7.1680 -7.1680 -6.7499 -6.7499 -5.5258 -5.5258 -5.0269 -5.0269 -2.2267 -2.2267 -1.6482 -1.6482 -1.1463 -1.1463 -1.0019 -1.0019 0.1932 0.1932 0.3563 0.3563 0.5504 0.5504 0.6485 0.6485 4.8078 4.8078 4.9579 4.9579 5.1074 5.1074 5.4074 5.4074 5.6793 5.6793 7.6372 7.6372 9.9513 9.9513 12.6656 12.6656 12.8705 12.8705 13.1840 13.1840 k = 0.1316 0.0760-0.0000 ( 2403 PWs) bands (ev): -12.4989 -12.4989 -9.1634 -9.1634 -7.1729 -7.1729 -6.6774 -6.6774 -5.5159 -5.5159 -5.0142 -5.0142 -2.2743 -2.2743 -1.7011 -1.7011 -1.1519 -1.1519 -0.9765 -0.9765 0.1916 0.1916 0.3504 0.3504 0.6178 0.6178 0.7035 0.7035 4.7934 4.7934 4.9775 4.9775 5.0406 5.0406 5.3934 5.3934 5.6568 5.6568 7.5979 7.5979 10.0117 10.0117 12.6119 12.6119 12.8574 12.8574 13.2037 13.2037 k = 0.1447 0.0836-0.0000 ( 2415 PWs) bands (ev): -12.4829 -12.4829 -9.2362 -9.2362 -7.1782 -7.1782 -6.6028 -6.6028 -5.5051 -5.5051 -5.0003 -5.0003 -2.3246 -2.3246 -1.7555 -1.7555 -1.1576 -1.1576 -0.9489 -0.9489 0.1898 0.1898 0.3441 0.3441 0.6880 0.6880 0.7615 0.7615 4.7776 4.7776 4.9709 4.9709 4.9988 4.9988 5.3776 5.3776 5.6301 5.6301 7.5563 7.5563 10.0777 10.0777 12.5553 12.5553 12.8425 12.8425 13.2252 13.2252 k = 0.1579 0.0912-0.0000 ( 2416 PWs) bands (ev): -12.4653 -12.4653 -9.3106 -9.3106 -7.1838 -7.1838 -6.5270 -6.5270 -5.4934 -5.4934 -4.9851 -4.9851 -2.3771 -2.3771 -1.8108 -1.8108 -1.1635 -1.1635 -0.9191 -0.9191 0.1879 0.1879 0.3375 0.3375 0.7604 0.7604 0.8224 0.8224 4.7607 4.7607 4.8991 4.8991 5.0214 5.0214 5.3600 5.3600 5.5995 5.5995 7.5131 7.5131 10.1493 10.1493 12.4964 12.4964 12.8262 12.8262 13.2485 13.2485 k = 0.1711 0.0988-0.0000 ( 2412 PWs) bands (ev): -12.4464 -12.4464 -9.3860 -9.3860 -7.1896 -7.1896 -6.4504 -6.4504 -5.4807 -5.4807 -4.9687 -4.9687 -2.4314 -2.4314 -1.8667 -1.8667 -1.1695 -1.1695 -0.8874 -0.8874 0.1858 0.1858 0.3306 0.3306 0.8345 0.8345 0.8856 0.8856 4.7425 4.7425 4.8254 4.8254 5.0456 5.0456 5.3406 5.3406 5.5651 5.5651 7.4687 7.4687 10.2262 10.2262 12.4356 12.4356 12.8086 12.8086 13.2735 13.2735 k = 0.1842 0.1064-0.0000 ( 2412 PWs) bands (ev): -12.4260 -12.4260 -9.4621 -9.4621 -7.1957 -7.1957 -6.3736 -6.3736 -5.4672 -5.4672 -4.9510 -4.9510 -2.4871 -2.4871 -1.9226 -1.9226 -1.1755 -1.1755 -0.8538 -0.8538 0.1835 0.1835 0.3234 0.3234 0.9098 0.9098 0.9506 0.9506 4.7229 4.7229 4.7506 4.7506 5.0709 5.0709 5.3192 5.3192 5.5269 5.5269 7.4234 7.4234 10.3082 10.3082 12.3734 12.3734 12.7893 12.7893 13.3000 13.3000 k = 0.1974 0.1140-0.0000 ( 2412 PWs) bands (ev): -12.4042 -12.4042 -9.5385 -9.5385 -7.2020 -7.2020 -6.2971 -6.2971 -5.4529 -5.4529 -4.9321 -4.9321 -2.5440 -2.5440 -1.9784 -1.9784 -1.1816 -1.1816 -0.8185 -0.8185 0.1811 0.1811 0.3159 0.3159 0.9859 0.9859 1.0172 1.0172 4.6750 4.6750 4.7023 4.7023 5.0974 5.0974 5.2960 5.2960 5.4852 5.4852 7.3779 7.3779 10.3953 10.3953 12.3103 12.3103 12.7685 12.7685 13.3280 13.3280 k = 0.2105 0.1215-0.0000 ( 2416 PWs) bands (ev): -12.3812 -12.3812 -9.6150 -9.6150 -7.2084 -7.2084 -6.2212 -6.2212 -5.4379 -5.4379 -4.9121 -4.9121 -2.6017 -2.6017 -2.0335 -2.0335 -1.1877 -1.1877 -0.7817 -0.7817 0.1785 0.1785 0.3083 0.3083 1.0625 1.0625 1.0848 1.0848 4.5994 4.5994 4.6804 4.6804 5.1246 5.1246 5.2709 5.2709 5.4401 5.4401 7.3324 7.3324 10.4871 10.4871 12.2467 12.2467 12.7463 12.7463 13.3569 13.3569 k = 0.2237 0.1291-0.0000 ( 2412 PWs) bands (ev): -12.3568 -12.3568 -9.6913 -9.6913 -7.2149 -7.2149 -6.1464 -6.1464 -5.4221 -5.4221 -4.8910 -4.8910 -2.6600 -2.6600 -2.0877 -2.0877 -1.1937 -1.1937 -0.7435 -0.7435 0.1757 0.1757 0.3006 0.3006 1.1391 1.1391 1.1533 1.1533 4.5242 4.5242 4.6575 4.6575 5.1526 5.1526 5.2439 5.2439 5.3919 5.3919 7.2875 7.2875 10.5835 10.5835 12.1831 12.1831 12.7228 12.7228 13.3872 13.3872 k = 0.2368 0.1367-0.0000 ( 2414 PWs) bands (ev): -12.3311 -12.3311 -9.7672 -9.7672 -7.2215 -7.2215 -6.0730 -6.0730 -5.4057 -5.4057 -4.8688 -4.8688 -2.7186 -2.7186 -2.1408 -2.1408 -1.1995 -1.1995 -0.7042 -0.7042 0.1727 0.1727 0.2928 0.2928 1.2153 1.2153 1.2221 1.2221 4.4501 4.4501 4.6336 4.6336 5.1812 5.1812 5.2152 5.2152 5.3408 5.3408 7.2437 7.2437 10.6844 10.6844 12.1199 12.1199 12.6980 12.6980 13.4185 13.4185 k = 0.2500 0.1443-0.0000 ( 2414 PWs) bands (ev): -12.3042 -12.3042 -9.8425 -9.8425 -7.2281 -7.2281 -6.0014 -6.0014 -5.3886 -5.3886 -4.8455 -4.8455 -2.7773 -2.7773 -2.1926 -2.1926 -1.2051 -1.2051 -0.6640 -0.6640 0.1695 0.1695 0.2851 0.2851 1.2900 1.2900 1.2920 1.2920 4.3775 4.3775 4.6089 4.6089 5.1847 5.1847 5.2100 5.2100 5.2871 5.2871 7.2011 7.2011 10.7895 10.7895 12.0574 12.0574 12.6721 12.6721 13.4506 13.4506 k = 0.2632 0.1519-0.0000 ( 2418 PWs) bands (ev): -12.2762 -12.2762 -9.9169 -9.9169 -7.2346 -7.2346 -5.9319 -5.9319 -5.3710 -5.3710 -4.8213 -4.8213 -2.8358 -2.8358 -2.2429 -2.2429 -1.2106 -1.2106 -0.6230 -0.6230 0.1661 0.1661 0.2773 0.2773 1.3594 1.3594 1.3658 1.3658 4.3073 4.3073 4.5833 4.5833 5.1527 5.1527 5.2301 5.2301 5.2398 5.2398 7.1600 7.1600 10.8986 10.8986 11.9959 11.9959 12.6453 12.6453 13.4832 13.4832 k = 0.2763 0.1595-0.0000 ( 2410 PWs) bands (ev): -12.2471 -12.2471 -9.9904 -9.9904 -7.2411 -7.2411 -5.8648 -5.8648 -5.3529 -5.3529 -4.7961 -4.7961 -2.8940 -2.8940 -2.2914 -2.2914 -1.2158 -1.2158 -0.5815 -0.5815 0.1625 0.1625 0.2697 0.2697 1.4276 1.4276 1.4389 1.4389 4.2400 4.2400 4.5571 4.5571 5.1194 5.1194 5.1720 5.1720 5.2683 5.2683 7.1209 7.1209 11.0115 11.0115 11.9360 11.9360 12.6177 12.6177 13.5164 13.5164 k = 0.2895 0.1671-0.0000 ( 2404 PWs) bands (ev): -12.2170 -12.2170 -10.0626 -10.0626 -7.2475 -7.2475 -5.8005 -5.8005 -5.3344 -5.3344 -4.7701 -4.7701 -2.9517 -2.9517 -2.3379 -2.3379 -1.2207 -1.2207 -0.5396 -0.5396 0.1586 0.1586 0.2623 0.2623 1.4949 1.4949 1.5101 1.5101 4.1762 4.1762 4.5304 4.5304 5.0850 5.0850 5.1115 5.1115 5.2971 5.2971 7.0839 7.0839 11.1280 11.1280 11.8777 11.8777 12.5896 12.5896 13.5497 13.5497 k = 0.3026 0.1747-0.0000 ( 2406 PWs) bands (ev): -12.1861 -12.1861 -10.1335 -10.1335 -7.2537 -7.2537 -5.7392 -5.7392 -5.3157 -5.3157 -4.7433 -4.7433 -3.0087 -3.0087 -2.3824 -2.3824 -1.2253 -1.2253 -0.4977 -0.4977 0.1544 0.1544 0.2550 0.2550 1.5611 1.5611 1.5791 1.5791 4.1166 4.1166 4.5034 4.5034 5.0485 5.0485 5.0503 5.0503 5.3255 5.3255 7.0490 7.0490 11.2477 11.2477 11.8215 11.8215 12.5611 12.5611 13.5831 13.5831 k = 0.3158 0.1823-0.0000 ( 2402 PWs) bands (ev): -12.1544 -12.1544 -10.2029 -10.2029 -7.2597 -7.2597 -5.6812 -5.6812 -5.2967 -5.2967 -4.7160 -4.7160 -3.0648 -3.0648 -2.4247 -2.4247 -1.2295 -1.2295 -0.4560 -0.4560 0.1499 0.1499 0.2480 0.2480 1.6256 1.6256 1.6453 1.6453 4.0619 4.0619 4.4761 4.4761 4.9850 4.9850 5.0141 5.0141 5.3533 5.3533 7.0165 7.0165 11.3706 11.3706 11.7676 11.7676 12.5327 12.5327 13.6162 13.6162 k = 0.3289 0.1899-0.0000 ( 2402 PWs) bands (ev): -12.1221 -12.1221 -10.2704 -10.2704 -7.2654 -7.2654 -5.6268 -5.6268 -5.2777 -5.2777 -4.6881 -4.6881 -3.1196 -3.1196 -2.4645 -2.4645 -1.2333 -1.2333 -0.4146 -0.4146 0.1450 0.1450 0.2413 0.2413 1.6884 1.6884 1.7082 1.7082 4.0128 4.0128 4.4487 4.4487 4.9196 4.9196 4.9782 4.9782 5.3803 5.3803 6.9864 6.9864 11.4961 11.4961 11.7162 11.7162 12.5045 12.5045 13.6488 13.6488 k = 0.3421 0.1975-0.0000 ( 2406 PWs) bands (ev): -12.0893 -12.0893 -10.3360 -10.3360 -7.2709 -7.2709 -5.5762 -5.5762 -5.2587 -5.2587 -4.6599 -4.6599 -3.1732 -3.1732 -2.5018 -2.5018 -1.2368 -1.2368 -0.3739 -0.3739 0.1397 0.1397 0.2349 0.2349 1.7488 1.7488 1.7674 1.7674 3.9700 3.9700 4.4215 4.4215 4.8532 4.8532 4.9426 4.9426 5.4063 5.4063 6.9588 6.9588 11.6239 11.6239 11.6673 11.6673 12.4768 12.4768 13.6807 13.6807 k = 0.3553 0.2051-0.0000 ( 2406 PWs) bands (ev): -12.0564 -12.0564 -10.3993 -10.3993 -7.2761 -7.2761 -5.5296 -5.5296 -5.2399 -5.2399 -4.6315 -4.6315 -3.2250 -3.2250 -2.5364 -2.5364 -1.2399 -1.2399 -0.3341 -0.3341 0.1339 0.1339 0.2289 0.2289 1.8066 1.8066 1.8224 1.8224 3.9342 3.9342 4.3948 4.3948 4.7859 4.7859 4.9077 4.9077 5.4310 5.4310 6.9336 6.9336 11.6218 11.6218 11.7537 11.7537 12.4499 12.4499 13.7115 13.7115 k = 0.3684 0.2127-0.0000 ( 2406 PWs) bands (ev): -12.0234 -12.0234 -10.4600 -10.4600 -7.2809 -7.2809 -5.4871 -5.4871 -5.2215 -5.2215 -4.6032 -4.6032 -3.2749 -3.2749 -2.5683 -2.5683 -1.2426 -1.2426 -0.2955 -0.2955 0.1277 0.1277 0.2232 0.2232 1.8614 1.8614 1.8729 1.8729 3.9060 3.9060 4.3688 4.3688 4.7182 4.7182 4.8739 4.8739 5.4543 5.4543 6.9109 6.9109 11.5795 11.5795 11.8851 11.8851 12.4241 12.4241 13.7411 13.7411 k = 0.3816 0.2203-0.0000 ( 2406 PWs) bands (ev): -11.9909 -11.9909 -10.5178 -10.5178 -7.2854 -7.2854 -5.4489 -5.4489 -5.2037 -5.2037 -4.5752 -4.5752 -3.3226 -3.3226 -2.5973 -2.5973 -1.2450 -1.2450 -0.2581 -0.2581 0.1208 0.1208 0.2181 0.2181 1.9127 1.9127 1.9184 1.9184 3.8857 3.8857 4.3437 4.3437 4.6502 4.6502 4.8416 4.8416 5.4760 5.4760 6.8906 6.8906 11.5407 11.5407 12.0173 12.0173 12.3998 12.3998 13.7689 13.7689 k = 0.3947 0.2279-0.0000 ( 2414 PWs) bands (ev): -11.9592 -11.9592 -10.5723 -10.5723 -7.2895 -7.2895 -5.4148 -5.4148 -5.1867 -5.1867 -4.5479 -4.5479 -3.3676 -3.3676 -2.6235 -2.6235 -1.2469 -1.2469 -0.2224 -0.2224 0.1131 0.1131 0.2133 0.2133 1.9583 1.9583 1.9607 1.9607 3.8739 3.8739 4.3200 4.3200 4.5823 4.5823 4.8113 4.8113 5.4960 5.4960 6.8726 6.8726 11.5054 11.5054 12.1498 12.1498 12.3771 12.3771 13.7948 13.7948 k = 0.4079 0.2355-0.0000 ( 2414 PWs) bands (ev): -11.9286 -11.9286 -10.6229 -10.6229 -7.2931 -7.2931 -5.3851 -5.3851 -5.1709 -5.1709 -4.5216 -4.5216 -3.4095 -3.4095 -2.6466 -2.6466 -1.2486 -1.2486 -0.1884 -0.1884 0.1048 0.1048 0.2091 0.2091 1.9935 1.9935 2.0038 2.0038 3.8705 3.8705 4.2980 4.2980 4.5150 4.5150 4.7834 4.7834 5.5140 5.5140 6.8569 6.8569 11.4740 11.4740 12.2816 12.2816 12.3564 12.3564 13.8185 13.8185 k = 0.4211 0.2431-0.0000 ( 2412 PWs) bands (ev): -11.8999 -11.8999 -10.6690 -10.6690 -7.2963 -7.2963 -5.3595 -5.3595 -5.1565 -5.1565 -4.4970 -4.4970 -3.4479 -3.4479 -2.6667 -2.6667 -1.2500 -1.2500 -0.1564 -0.1564 0.0956 0.0956 0.2054 0.2054 2.0230 2.0230 2.0425 2.0425 3.8755 3.8755 4.2779 4.2779 4.4485 4.4485 4.7583 4.7583 5.5300 5.5300 6.8435 6.8435 11.4464 11.4464 12.3379 12.3379 12.4114 12.4114 13.8397 13.8397 k = 0.4342 0.2507-0.0000 ( 2412 PWs) bands (ev): -11.8736 -11.8736 -10.7101 -10.7101 -7.2991 -7.2991 -5.3381 -5.3381 -5.1437 -5.1437 -4.4744 -4.4744 -3.4820 -3.4820 -2.6837 -2.6837 -1.2511 -1.2511 -0.1266 -0.1266 0.0856 0.0856 0.2022 0.2022 2.0474 2.0474 2.0761 2.0761 3.8885 3.8885 4.2602 4.2602 4.3837 4.3837 4.7364 4.7364 5.5438 5.5438 6.8323 6.8323 11.4229 11.4229 12.3218 12.3218 12.5374 12.5374 13.8582 13.8582 k = 0.4474 0.2583-0.0000 ( 2412 PWs) bands (ev): -11.8506 -11.8506 -10.7453 -10.7453 -7.3013 -7.3013 -5.3208 -5.3208 -5.1329 -5.1329 -4.4546 -4.4546 -3.5113 -3.5113 -2.6977 -2.6977 -1.2519 -1.2519 -0.0992 -0.0992 0.0748 0.0748 0.1996 0.1996 2.0667 2.0667 2.1042 2.1042 3.9090 3.9090 4.2451 4.2451 4.3211 4.3211 4.7180 4.7180 5.5552 5.5552 6.8232 6.8232 11.4035 11.4035 12.3084 12.3084 12.6570 12.6570 13.8737 13.8737 k = 0.4605 0.2659-0.0000 ( 2416 PWs) bands (ev): -11.8315 -11.8315 -10.7739 -10.7739 -7.3031 -7.3031 -5.3074 -5.3074 -5.1243 -5.1243 -4.4383 -4.4383 -3.5352 -3.5352 -2.7085 -2.7085 -1.2526 -1.2526 -0.0747 -0.0747 0.0633 0.0633 0.1976 0.1976 2.0812 2.0812 2.1265 2.1265 3.9357 3.9357 4.2330 4.2330 4.2617 4.2617 4.7034 4.7034 5.5642 5.5642 6.8162 6.8162 11.3884 11.3884 12.2978 12.2978 12.7657 12.7657 13.8859 13.8859 k = 0.4737 0.2735-0.0000 ( 2418 PWs) bands (ev): -11.8171 -11.8171 -10.7950 -10.7950 -7.3044 -7.3044 -5.2978 -5.2978 -5.1180 -5.1180 -4.4260 -4.4260 -3.5528 -3.5528 -2.7163 -2.7163 -1.2530 -1.2530 -0.0538 -0.0538 0.0519 0.0519 0.1961 0.1961 2.0914 2.0914 2.1427 2.1427 3.9665 3.9665 4.2076 4.2076 4.2243 4.2243 4.6928 4.6928 5.5706 5.5706 6.8112 6.8112 11.3775 11.3775 12.2901 12.2901 12.8566 12.8566 13.8681 13.8681 k = 0.4868 0.2811-0.0000 ( 2422 PWs) bands (ev): -11.8082 -11.8082 -10.8079 -10.8079 -7.3052 -7.3052 -5.2922 -5.2922 -5.1142 -5.1142 -4.4184 -4.4184 -3.5636 -3.5636 -2.7209 -2.7209 -1.2533 -1.2533 -0.0384 -0.0384 0.0422 0.0422 0.1951 0.1951 2.0974 2.0974 2.1525 2.1525 3.9962 3.9962 4.1640 4.1640 4.2188 4.2188 4.6863 4.6863 5.5745 5.5745 6.8082 6.8082 11.3708 11.3708 12.2854 12.2854 12.9193 12.9193 13.8168 13.8168 k = 0.5000 0.2887-0.0000 ( 2414 PWs) bands (ev): -11.8052 -11.8052 -10.8123 -10.8123 -7.3054 -7.3054 -5.2903 -5.2903 -5.1129 -5.1129 -4.4158 -4.4158 -3.5673 -3.5673 -2.7225 -2.7225 -1.2533 -1.2533 -0.0323 -0.0323 0.0381 0.0381 0.1949 0.1949 2.0993 2.0993 2.1558 2.1558 4.0108 4.0108 4.1448 4.1448 4.2170 4.2170 4.6842 4.6842 5.5758 5.5758 6.8072 6.8072 11.3687 11.3687 12.2839 12.2839 12.9422 12.9422 13.7976 13.7976 k = 0.5000 0.2887-0.0000 ( 2414 PWs) bands (ev): -11.8052 -11.8052 -10.8123 -10.8123 -7.3054 -7.3054 -5.2903 -5.2903 -5.1129 -5.1129 -4.4158 -4.4158 -3.5673 -3.5673 -2.7225 -2.7225 -1.2533 -1.2533 -0.0323 -0.0323 0.0381 0.0381 0.1949 0.1949 2.0993 2.0993 2.1558 2.1558 4.0108 4.0108 4.1448 4.1448 4.2170 4.2170 4.6842 4.6842 5.5758 5.5758 6.8072 6.8072 11.3687 11.3687 12.2839 12.2839 12.9422 12.9422 13.7976 13.7976 k = 0.4924 0.3018-0.0000 ( 2424 PWs) bands (ev): -11.8042 -11.8042 -10.8136 -10.8136 -7.3061 -7.3061 -5.2887 -5.2887 -5.1125 -5.1125 -4.4149 -4.4149 -3.5684 -3.5684 -2.7216 -2.7216 -1.2574 -1.2574 -0.0335 -0.0335 0.0413 0.0413 0.1941 0.1941 2.1025 2.1025 2.1586 2.1586 4.0067 4.0067 4.1425 4.1425 4.2137 4.2137 4.6891 4.6891 5.5778 5.5778 6.8035 6.8035 11.3666 11.3666 12.2870 12.2870 12.9457 12.9457 13.7994 13.7994 k = 0.4848 0.3149-0.0000 ( 2420 PWs) bands (ev): -11.8014 -11.8014 -10.8176 -10.8176 -7.3080 -7.3080 -5.2842 -5.2842 -5.1114 -5.1114 -4.4125 -4.4125 -3.5717 -3.5717 -2.7190 -2.7190 -1.2694 -1.2694 -0.0368 -0.0368 0.0508 0.0508 0.1920 0.1920 2.1118 2.1118 2.1673 2.1673 3.9946 3.9946 4.1358 4.1358 4.2037 4.2037 4.7035 4.7035 5.5837 5.5837 6.7927 6.7927 11.3606 11.3606 12.2965 12.2965 12.9564 12.9564 13.8049 13.8049 k = 0.4773 0.3280-0.0000 ( 2416 PWs) bands (ev): -11.7966 -11.7966 -10.8241 -10.8241 -7.3111 -7.3111 -5.2769 -5.2769 -5.1096 -5.1096 -4.4084 -4.4084 -3.5773 -3.5773 -2.7146 -2.7146 -1.2890 -1.2890 -0.0422 -0.0422 0.0662 0.0662 0.1886 0.1886 2.1273 2.1273 2.1817 2.1817 3.9756 3.9756 4.1245 4.1245 4.1873 4.1873 4.7265 4.7265 5.5933 5.5933 6.7747 6.7747 11.3507 11.3507 12.3120 12.3120 12.9742 12.9742 13.8139 13.8139 k = 0.4697 0.3412-0.0000 ( 2416 PWs) bands (ev): -11.7899 -11.7899 -10.8333 -10.8333 -7.3154 -7.3154 -5.2668 -5.2668 -5.1070 -5.1070 -4.4026 -4.4026 -3.5851 -3.5851 -2.7085 -2.7085 -1.3154 -1.3154 -0.0496 -0.0496 0.0867 0.0867 0.1839 0.1839 2.1488 2.1488 2.2016 2.2016 3.9509 3.9509 4.1087 4.1087 4.1648 4.1648 4.7567 4.7567 5.6061 5.6061 6.7498 6.7498 11.3377 11.3377 12.3330 12.3330 12.9986 12.9986 13.8265 13.8265 k = 0.4621 0.3543-0.0000 ( 2418 PWs) bands (ev): -11.7814 -11.7814 -10.8449 -10.8449 -7.3207 -7.3207 -5.2544 -5.2544 -5.1038 -5.1038 -4.3953 -4.3953 -3.5950 -3.5950 -2.7004 -2.7004 -1.3480 -1.3480 -0.0587 -0.0587 0.1117 0.1117 0.1781 0.1781 2.1760 2.1760 2.2268 2.2268 3.9221 3.9221 4.0884 4.0884 4.1366 4.1366 4.7927 4.7927 5.6215 5.6215 6.7184 6.7184 11.3218 11.3218 12.3590 12.3590 13.0297 13.0297 13.8425 13.8425 k = 0.4545 0.3674-0.0000 ( 2414 PWs) bands (ev): -11.7709 -11.7709 -10.8591 -10.8591 -7.3268 -7.3268 -5.2398 -5.2398 -5.1000 -5.1000 -4.3862 -4.3862 -3.6071 -3.6071 -2.6904 -2.6904 -1.3859 -1.3859 -0.0693 -0.0693 0.1402 0.1402 0.1714 0.1714 2.2087 2.2087 2.2571 2.2571 3.8902 3.8902 4.0640 4.0640 4.1033 4.1033 4.8335 4.8335 5.6395 5.6395 6.6810 6.6810 11.3038 11.3038 12.3895 12.3895 13.0668 13.0668 13.8618 13.8618 k = 0.4470 0.3805-0.0000 ( 2422 PWs) bands (ev): -11.7586 -11.7586 -10.8757 -10.8757 -7.3337 -7.3337 -5.2235 -5.2235 -5.0955 -5.0955 -4.3756 -4.3756 -3.6212 -3.6212 -2.6784 -2.6784 -1.4283 -1.4283 -0.0812 -0.0812 0.1640 0.1640 0.1714 0.1714 2.2466 2.2466 2.2922 2.2922 3.8562 3.8562 4.0352 4.0352 4.0652 4.0652 4.8780 4.8780 5.6593 5.6593 6.6380 6.6380 11.2842 11.2842 12.4240 12.4240 13.1098 13.1098 13.8843 13.8843 k = 0.4394 0.3936-0.0000 ( 2418 PWs) bands (ev): -11.7443 -11.7443 -10.8947 -10.8947 -7.3410 -7.3410 -5.2058 -5.2058 -5.0905 -5.0905 -4.3634 -4.3634 -3.6373 -3.6373 -2.6641 -2.6641 -1.4744 -1.4744 -0.0939 -0.0939 0.1561 0.1561 0.2044 0.2044 2.2893 2.2893 2.3318 2.3318 3.8211 3.8211 4.0024 4.0024 4.0230 4.0230 4.9254 4.9254 5.6804 5.6804 6.5899 6.5899 11.2636 11.2636 12.4619 12.4619 13.1581 13.1581 13.9098 13.9098 k = 0.4318 0.4068-0.0000 ( 2404 PWs) bands (ev): -11.7281 -11.7281 -10.9159 -10.9159 -7.3486 -7.3486 -5.1871 -5.1871 -5.0850 -5.0850 -4.3495 -4.3495 -3.6553 -3.6553 -2.6476 -2.6476 -1.5235 -1.5235 -0.1073 -0.1073 0.1479 0.1479 0.2387 0.2387 2.3367 2.3367 2.3755 2.3755 3.7855 3.7855 3.9656 3.9656 3.9771 3.9771 4.9752 4.9752 5.7023 5.7023 6.5373 6.5373 11.2423 11.2423 12.5030 12.5030 13.2114 13.2114 13.9381 13.9381 k = 0.4242 0.4199-0.0000 ( 2402 PWs) bands (ev): -11.7101 -11.7101 -10.9393 -10.9393 -7.3563 -7.3563 -5.1679 -5.1679 -5.0792 -5.0792 -4.3340 -4.3340 -3.6752 -3.6752 -2.6288 -2.6288 -1.5749 -1.5749 -0.1212 -0.1212 0.1395 0.1395 0.2732 0.2732 2.3882 2.3882 2.4231 2.4231 3.7499 3.7499 3.9247 3.9247 3.9280 3.9280 5.0268 5.0268 5.7244 5.7244 6.4807 6.4807 11.2210 11.2210 12.5466 12.5466 13.2690 13.2690 13.9689 13.9689 k = 0.4167 0.4330-0.0000 ( 2402 PWs) bands (ev): -11.6903 -11.6903 -10.9648 -10.9648 -7.3640 -7.3640 -5.1486 -5.1486 -5.0730 -5.0730 -4.3168 -4.3168 -3.6969 -3.6969 -2.6076 -2.6076 -1.6283 -1.6283 -0.1350 -0.1350 0.1312 0.1312 0.3076 0.3076 2.4437 2.4437 2.4741 2.4741 3.7147 3.7147 3.8753 3.8753 3.8808 3.8808 5.0798 5.0798 5.7464 5.7464 6.4209 6.4209 11.1999 11.1999 12.5926 12.5926 13.3305 13.3305 13.9821 13.9821 k = 0.4091 0.4461-0.0000 ( 2404 PWs) bands (ev): -11.6685 -11.6685 -10.9923 -10.9923 -7.3716 -7.3716 -5.1296 -5.1296 -5.0665 -5.0665 -4.2981 -4.2981 -3.7203 -3.7203 -2.5839 -2.5839 -1.6830 -1.6830 -0.1488 -0.1488 0.1232 0.1232 0.3411 0.3411 2.5027 2.5027 2.5284 2.5284 3.6804 3.6804 3.8205 3.8205 3.8329 3.8329 5.1340 5.1340 5.7678 5.7678 6.3583 6.3583 11.1795 11.1795 12.6405 12.6405 13.3955 13.3955 13.9066 13.9066 k = 0.4015 0.4593-0.0000 ( 2400 PWs) bands (ev): -11.6449 -11.6449 -11.0216 -11.0216 -7.3788 -7.3788 -5.1113 -5.1113 -5.0600 -5.0600 -4.2778 -4.2778 -3.7453 -3.7453 -2.5577 -2.5577 -1.7385 -1.7385 -0.1620 -0.1620 0.1155 0.1155 0.3734 0.3734 2.5650 2.5650 2.5855 2.5855 3.6472 3.6472 3.7634 3.7634 3.7818 3.7818 5.1892 5.1892 5.7883 5.7883 6.2938 6.2938 11.1599 11.1599 12.6902 12.6902 13.4635 13.4635 13.8302 13.8302 k = 0.3939 0.4724-0.0000 ( 2400 PWs) bands (ev): -11.6194 -11.6194 -11.0527 -11.0527 -7.3855 -7.3855 -5.0939 -5.0939 -5.0534 -5.0534 -4.2559 -4.2559 -3.7718 -3.7718 -2.5288 -2.5288 -1.7944 -1.7944 -0.1746 -0.1746 0.1083 0.1083 0.4039 0.4039 2.6302 2.6302 2.6451 2.6451 3.6155 3.6155 3.7041 3.7041 3.7276 3.7276 5.2452 5.2452 5.8076 5.8076 6.2276 6.2276 11.1416 11.1416 12.7415 12.7415 13.5341 13.5341 13.7535 13.7535 k = 0.3864 0.4855-0.0000 ( 2404 PWs) bands (ev): -11.5921 -11.5921 -11.0855 -11.0855 -7.3916 -7.3916 -5.0780 -5.0780 -5.0470 -5.0470 -4.2324 -4.2324 -3.7997 -3.7997 -2.4975 -2.4975 -1.8505 -1.8505 -0.1863 -0.1863 0.1018 0.1018 0.4320 0.4320 2.6980 2.6980 2.7070 2.7070 3.5855 3.5855 3.6431 3.6431 3.6706 3.6706 5.3018 5.3018 5.8253 5.8253 6.1606 6.1606 11.1247 11.1247 12.7942 12.7942 13.6068 13.6068 13.6771 13.6771 k = 0.3788 0.4986-0.0000 ( 2408 PWs) bands (ev): -11.5629 -11.5629 -11.1197 -11.1197 -7.3971 -7.3971 -5.0636 -5.0636 -5.0409 -5.0409 -4.2074 -4.2074 -3.8289 -3.8289 -2.4636 -2.4636 -1.9062 -1.9062 -0.1970 -0.1970 0.0959 0.0959 0.4576 0.4576 2.7679 2.7679 2.7710 2.7710 3.5575 3.5575 3.5804 3.5804 3.6110 3.6110 5.3589 5.3589 5.8412 5.8412 6.0932 6.0932 11.1094 11.1094 12.8481 12.8481 13.6015 13.6015 13.6814 13.6814 k = 0.3712 0.5117-0.0000 ( 2406 PWs) bands (ev): -11.5319 -11.5319 -11.1554 -11.1554 -7.4018 -7.4018 -5.0511 -5.0511 -5.0353 -5.0353 -4.1808 -4.1808 -3.8592 -3.8592 -2.4274 -2.4274 -1.9612 -1.9612 -0.2063 -0.2063 0.0909 0.0909 0.4800 0.4800 2.8358 2.8358 2.8409 2.8409 3.5162 3.5162 3.5321 3.5321 3.5491 3.5491 5.4163 5.4163 5.8550 5.8550 6.0259 6.0259 11.0961 11.0961 12.9031 12.9031 13.5274 13.5274 13.7573 13.7573 k = 0.3636 0.5249-0.0000 ( 2402 PWs) bands (ev): -11.4990 -11.4990 -11.1922 -11.1922 -7.4058 -7.4058 -5.0406 -5.0406 -5.0302 -5.0302 -4.1526 -4.1526 -3.8906 -3.8906 -2.3888 -2.3888 -2.0154 -2.0154 -0.2142 -0.2142 0.0867 0.0867 0.4991 0.4991 2.9028 2.9028 2.9147 2.9147 3.4508 3.4508 3.4851 3.4851 3.5090 3.5090 5.4742 5.4742 5.8668 5.8668 5.9592 5.9592 11.0849 11.0849 12.9592 12.9592 13.4552 13.4552 13.8342 13.8342 k = 0.3561 0.5380-0.0000 ( 2402 PWs) bands (ev): -11.4644 -11.4644 -11.2302 -11.2302 -7.4089 -7.4089 -5.0322 -5.0322 -5.0260 -5.0260 -4.1229 -4.1229 -3.9230 -3.9230 -2.3482 -2.3482 -2.0682 -2.0682 -0.2205 -0.2205 0.0834 0.0834 0.5144 0.5144 2.9707 2.9707 2.9899 2.9899 3.3843 3.3843 3.4193 3.4193 3.4891 3.4891 5.5323 5.5323 5.8760 5.8760 5.8937 5.8937 11.0759 11.0759 13.0162 13.0162 13.3852 13.3852 13.9118 13.9118 k = 0.3485 0.5511-0.0000 ( 2402 PWs) bands (ev): -11.4279 -11.4279 -11.2692 -11.2692 -7.4111 -7.4111 -5.0261 -5.0261 -5.0229 -5.0229 -4.0918 -4.0918 -3.9562 -3.9562 -2.3057 -2.3057 -2.1196 -2.1196 -0.2252 -0.2252 0.0810 0.0810 0.5256 0.5256 3.0395 3.0395 3.0656 3.0656 3.3166 3.3166 3.3520 3.3520 3.4727 3.4727 5.5906 5.5906 5.8296 5.8296 5.8828 5.8828 11.0693 11.0693 13.0741 13.0741 13.3179 13.3179 13.9899 13.9899 k = 0.3409 0.5642-0.0000 ( 2404 PWs) bands (ev): -11.3897 -11.3897 -11.3091 -11.3091 -7.4124 -7.4124 -5.0223 -5.0223 -5.0210 -5.0210 -4.0590 -4.0590 -3.9902 -3.9902 -2.2616 -2.2616 -2.1690 -2.1690 -0.2281 -0.2281 0.0796 0.0796 0.5324 0.5324 3.1089 3.1089 3.1409 3.1409 3.2481 3.2481 3.2833 3.2833 3.4611 3.4611 5.6490 5.6490 5.7674 5.7674 5.8869 5.8869 11.0652 11.0652 13.1327 13.1327 13.2534 13.2534 14.0682 14.0682 k = 0.3333 0.5774-0.0000 ( 2394 PWs) bands (ev): -11.3497 -11.3497 -11.3496 -11.3496 -7.4128 -7.4128 -5.0207 -5.0207 -5.0207 -5.0207 -4.0249 -4.0249 -4.0248 -4.0248 -2.2164 -2.2164 -2.2160 -2.2160 -0.2290 -0.2290 0.0792 0.0792 0.5348 0.5348 3.1778 3.1778 3.1797 3.1797 3.2131 3.2131 3.2143 3.2143 3.4563 3.4563 5.7067 5.7067 5.7086 5.7086 5.8883 5.8883 11.0639 11.0639 13.1908 13.1908 13.1934 13.1934 14.1406 14.1406 k = 0.3333 0.5774-0.0000 ( 2394 PWs) bands (ev): -11.3497 -11.3497 -11.3496 -11.3496 -7.4128 -7.4128 -5.0207 -5.0207 -5.0207 -5.0207 -4.0249 -4.0249 -4.0248 -4.0248 -2.2164 -2.2164 -2.2160 -2.2160 -0.2290 -0.2290 0.0792 0.0792 0.5348 0.5348 3.1778 3.1778 3.1797 3.1797 3.2131 3.2131 3.2143 3.2143 3.4563 3.4563 5.7067 5.7067 5.7086 5.7086 5.8883 5.8883 11.0639 11.0639 13.1908 13.1908 13.1934 13.1934 14.1406 14.1406 k = 0.3256 0.5639-0.0000 ( 2400 PWs) bands (ev): -11.3918 -11.3918 -11.3069 -11.3069 -7.4124 -7.4124 -5.0221 -5.0221 -5.0213 -5.0213 -4.0609 -4.0609 -3.9884 -3.9884 -2.2619 -2.2619 -2.1686 -2.1686 -0.2280 -0.2280 0.0796 0.0796 0.5323 0.5323 3.1068 3.1068 3.1414 3.1414 3.2502 3.2502 3.2803 3.2803 3.4638 3.4638 5.6491 5.6491 5.7676 5.7676 5.8869 5.8869 11.0653 11.0653 13.1327 13.1327 13.2535 13.2535 14.0547 14.0547 k = 0.3178 0.5505-0.0000 ( 2400 PWs) bands (ev): -11.4345 -11.4345 -11.2622 -11.2622 -7.4110 -7.4110 -5.0257 -5.0257 -5.0243 -5.0243 -4.0973 -4.0973 -3.9503 -3.9503 -2.3047 -2.3047 -2.1203 -2.1203 -0.2249 -0.2249 0.0811 0.0811 0.5247 0.5247 3.0341 3.0341 3.0686 3.0686 3.3216 3.3216 3.3294 3.3294 3.4932 3.4932 5.5936 5.5936 5.8276 5.8276 5.8824 5.8824 11.0699 11.0699 13.0771 13.0771 13.3156 13.3156 13.9438 13.9438 k = 0.3101 0.5371-0.0000 ( 2398 PWs) bands (ev): -11.4775 -11.4775 -11.2158 -11.2158 -7.4088 -7.4088 -5.0316 -5.0316 -5.0294 -5.0294 -4.1341 -4.1341 -3.9108 -3.9108 -2.3442 -2.3442 -2.0717 -2.0717 -0.2197 -0.2197 0.0835 0.0835 0.5118 0.5118 2.9608 2.9608 2.9952 2.9952 3.3567 3.3567 3.3928 3.3928 3.5489 3.5489 5.5415 5.5415 5.8750 5.8750 5.8876 5.8876 11.0776 11.0776 13.0254 13.0254 13.3783 13.3783 13.8191 13.8191 k = 0.3023 0.5236-0.0000 ( 2406 PWs) bands (ev): -11.5208 -11.5208 -11.1676 -11.1676 -7.4057 -7.4057 -5.0403 -5.0403 -5.0365 -5.0365 -4.1712 -4.1712 -3.8698 -3.8698 -2.3801 -2.3801 -2.0231 -2.0231 -0.2124 -0.2124 0.0868 0.0868 0.4937 0.4937 2.8868 2.8868 2.9213 2.9213 3.3717 3.3717 3.4635 3.4635 3.6213 3.6213 5.4930 5.4930 5.8647 5.8647 5.9476 5.9476 11.0886 11.0886 12.9776 12.9776 13.4415 13.4415 13.6846 13.6846 k = 0.2946 0.5102-0.0000 ( 2406 PWs) bands (ev): -11.5643 -11.5643 -11.1176 -11.1176 -7.4018 -7.4018 -5.0519 -5.0519 -5.0455 -5.0455 -4.2084 -4.2084 -3.8274 -3.8274 -2.4122 -2.4122 -1.9748 -1.9748 -0.2031 -0.2031 0.0910 0.0910 0.4705 0.4705 2.8123 2.8123 2.8472 2.8472 3.3836 3.3836 3.5335 3.5335 3.7015 3.7015 5.4483 5.4483 5.8514 5.8514 6.0076 6.0076 11.1029 11.1029 12.9338 12.9338 13.5052 13.5052 13.5430 13.5430 k = 0.2868 0.4968-0.0000 ( 2409 PWs) bands (ev): -11.6078 -11.6078 -11.0659 -11.0659 -7.3971 -7.3971 -5.0668 -5.0668 -5.0563 -5.0563 -4.2456 -4.2456 -3.7836 -3.7836 -2.4403 -2.4403 -1.9270 -1.9270 -0.1918 -0.1918 0.0960 0.0960 0.4421 0.4421 2.7372 2.7372 2.7727 2.7727 3.3965 3.3965 3.6026 3.6026 3.7853 3.7853 5.4075 5.4075 5.8355 5.8355 6.0676 6.0676 11.1206 11.1206 12.8940 12.8940 13.3963 13.3963 13.5697 13.5697 k = 0.2791 0.4834-0.0000 ( 2407 PWs) bands (ev): -11.6512 -11.6512 -11.0124 -11.0124 -7.3917 -7.3917 -5.0850 -5.0850 -5.0687 -5.0687 -4.2828 -4.2828 -3.7383 -3.7383 -2.4639 -2.4639 -1.8803 -1.8803 -0.1786 -0.1786 0.1018 0.1018 0.4089 0.4089 2.6616 2.6616 2.6981 2.6981 3.4120 3.4120 3.6707 3.6707 3.8709 3.8709 5.3708 5.3708 5.8166 5.8166 6.1275 6.1275 11.1418 11.1418 12.8583 12.8583 13.2461 13.2461 13.6344 13.6344 k = 0.2713 0.4699-0.0000 ( 2411 PWs) bands (ev): -11.6943 -11.6943 -10.9572 -10.9572 -7.3857 -7.3857 -5.1070 -5.1070 -5.0825 -5.0825 -4.3199 -4.3199 -3.6917 -3.6917 -2.4831 -2.4831 -1.8347 -1.8347 -0.1638 -0.1638 0.1084 0.1084 0.3710 0.3710 2.5855 2.5855 2.6230 2.6230 3.4310 3.4310 3.7375 3.7375 3.9575 3.9575 5.3382 5.3382 5.7951 5.7951 6.1873 6.1873 11.1664 11.1664 12.8266 12.8266 13.0936 13.0936 13.6995 13.6995 k = 0.2636 0.4565-0.0000 ( 2407 PWs) bands (ev): -11.7372 -11.7372 -10.9003 -10.9003 -7.3790 -7.3790 -5.1327 -5.1327 -5.0976 -5.0976 -4.3567 -4.3567 -3.6437 -3.6437 -2.4975 -2.4975 -1.7906 -1.7906 -0.1475 -0.1475 0.1156 0.1156 0.3289 0.3289 2.5091 2.5091 2.5478 2.5478 3.4542 3.4542 3.8031 3.8031 4.0445 4.0445 5.3098 5.3098 5.7713 5.7713 6.2471 6.2471 11.1947 11.1947 12.7989 12.7989 12.9398 12.9398 13.7651 13.7651 k = 0.2558 0.4431-0.0000 ( 2403 PWs) bands (ev): -11.7798 -11.7798 -10.8418 -10.8418 -7.3718 -7.3718 -5.1623 -5.1623 -5.1138 -5.1138 -4.3932 -4.3932 -3.5945 -3.5945 -2.5072 -2.5072 -1.7479 -1.7479 -0.1298 -0.1298 0.1235 0.1235 0.2828 0.2828 2.4322 2.4322 2.4721 2.4721 3.4816 3.4816 3.8671 3.8671 4.1316 4.1316 5.2854 5.2854 5.7451 5.7451 6.3067 6.3067 11.2265 11.2265 12.7750 12.7750 12.7857 12.7857 13.8310 13.8310 k = 0.2481 0.4297-0.0000 ( 2399 PWs) bands (ev): -11.8218 -11.8218 -10.7817 -10.7817 -7.3641 -7.3641 -5.1959 -5.1959 -5.1309 -5.1309 -4.4293 -4.4293 -3.5440 -3.5440 -2.5120 -2.5120 -1.7070 -1.7070 -0.1111 -0.1111 0.1320 0.1320 0.2331 0.2331 2.3551 2.3551 2.3959 2.3959 3.5134 3.5134 3.9295 3.9295 4.2186 4.2186 5.2650 5.2650 5.7168 5.7168 6.3663 6.3663 11.2618 11.2618 12.6316 12.6316 12.7549 12.7549 13.8973 13.8973 k = 0.2403 0.4162-0.0000 ( 2397 PWs) bands (ev): -11.8633 -11.8633 -10.7200 -10.7200 -7.3559 -7.3559 -5.2335 -5.2335 -5.1489 -5.1489 -4.4650 -4.4650 -3.4923 -3.4923 -2.5119 -2.5119 -1.6678 -1.6678 -0.0916 -0.0916 0.1409 0.1409 0.1803 0.1803 2.2776 2.2776 2.3192 2.3192 3.5499 3.5499 3.9902 3.9902 4.3050 4.3050 5.2486 5.2486 5.6866 5.6866 6.4258 6.4258 11.3004 11.3004 12.4785 12.4785 12.7383 12.7383 13.9146 13.9146 k = 0.2326 0.4028-0.0000 ( 2405 PWs) bands (ev): -11.9041 -11.9041 -10.6568 -10.6568 -7.3474 -7.3474 -5.2751 -5.2751 -5.1676 -5.1676 -4.5002 -4.5002 -3.4395 -3.4395 -2.5071 -2.5071 -1.6304 -1.6304 -0.0715 -0.0715 0.1248 0.1248 0.1503 0.1503 2.1997 2.1997 2.2418 2.2418 3.5909 3.5909 4.0490 4.0490 4.3908 4.3908 5.2358 5.2358 5.6545 5.6545 6.4851 6.4851 11.3424 11.3424 12.3267 12.3267 12.7250 12.7250 13.8803 13.8803 k = 0.2248 0.3894-0.0000 ( 2405 PWs) bands (ev): -11.9443 -11.9443 -10.5920 -10.5920 -7.3385 -7.3385 -5.3206 -5.3206 -5.1867 -5.1867 -4.5347 -4.5347 -3.3856 -3.3856 -2.4976 -2.4976 -1.5948 -1.5948 -0.0512 -0.0512 0.0672 0.0672 0.1602 0.1602 2.1218 2.1218 2.1639 2.1639 3.6366 3.6366 4.1059 4.1059 4.4757 4.4757 5.2266 5.2266 5.6211 5.6211 6.5443 6.5443 11.3878 11.3878 12.1767 12.1767 12.7151 12.7151 13.8449 13.8449 k = 0.2171 0.3759-0.0000 ( 2409 PWs) bands (ev): -11.9836 -11.9836 -10.5258 -10.5258 -7.3294 -7.3294 -5.3699 -5.3699 -5.2063 -5.2063 -4.5686 -4.5686 -3.3307 -3.3307 -2.4835 -2.4835 -1.5609 -1.5609 -0.0308 -0.0308 0.0077 0.0077 0.1703 0.1703 2.0436 2.0436 2.0852 2.0852 3.6867 3.6867 4.1607 4.1607 4.5596 4.5596 5.2208 5.2208 5.5863 5.5863 6.6034 6.6034 11.4364 11.4364 12.0288 12.0288 12.7082 12.7082 13.8085 13.8085 k = 0.2093 0.3625-0.0000 ( 2409 PWs) bands (ev): -12.0221 -12.0221 -10.4582 -10.4582 -7.3200 -7.3200 -5.4229 -5.4229 -5.2261 -5.2261 -4.6018 -4.6018 -3.2747 -3.2747 -2.4650 -2.4650 -1.5288 -1.5288 -0.0531 -0.0531 -0.0107 -0.0107 0.1808 0.1808 1.9653 1.9653 2.0058 2.0058 3.7413 3.7413 4.2136 4.2136 4.6421 4.6421 5.2180 5.2180 5.5506 5.5506 6.6624 6.6624 11.4881 11.4881 11.8835 11.8835 12.7042 12.7042 13.7713 13.7713 k = 0.2016 0.3491-0.0000 ( 2421 PWs) bands (ev): -12.0597 -12.0597 -10.3892 -10.3892 -7.3105 -7.3105 -5.4794 -5.4794 -5.2461 -5.2461 -4.6342 -4.6342 -3.2179 -3.2179 -2.4422 -2.4422 -1.4983 -1.4983 -0.1148 -0.1148 0.0090 0.0090 0.1914 0.1914 1.8869 1.8869 1.9257 1.9257 3.7999 3.7999 4.2643 4.2643 4.7232 4.7232 5.2180 5.2180 5.5139 5.5139 6.7211 6.7211 11.5427 11.5427 11.7410 11.7410 12.7028 12.7028 13.7333 13.7333 k = 0.1938 0.3357-0.0000 ( 2411 PWs) bands (ev): -12.0963 -12.0963 -10.3189 -10.3189 -7.3009 -7.3009 -5.5392 -5.5392 -5.2661 -5.2661 -4.6657 -4.6657 -3.1602 -3.1602 -2.4154 -2.4154 -1.4694 -1.4694 -0.1768 -0.1768 0.0280 0.0280 0.2022 0.2022 1.8086 1.8086 1.8450 1.8450 3.8627 3.8627 4.3129 4.3129 4.8027 4.8027 5.2207 5.2207 5.4768 5.4768 6.7798 6.7798 11.6000 11.6000 11.6019 11.6019 12.7039 12.7039 13.6953 13.6953 k = 0.1860 0.3222-0.0000 ( 2415 PWs) bands (ev): -12.1318 -12.1318 -10.2473 -10.2473 -7.2913 -7.2913 -5.6020 -5.6020 -5.2860 -5.2860 -4.6964 -4.6964 -3.1018 -3.1018 -2.3849 -2.3849 -1.4419 -1.4419 -0.2390 -0.2390 0.0463 0.0463 0.2132 0.2132 1.7302 1.7302 1.7637 1.7637 3.9292 3.9292 4.3594 4.3594 4.8802 4.8802 5.2256 5.2256 5.4392 5.4392 6.8382 6.8382 11.4654 11.4654 11.6602 11.6602 12.7071 12.7071 13.6571 13.6571 k = 0.1783 0.3088-0.0000 ( 2411 PWs) bands (ev): -12.1662 -12.1662 -10.1746 -10.1746 -7.2816 -7.2816 -5.6677 -5.6677 -5.3058 -5.3058 -4.7261 -4.7261 -3.0427 -3.0427 -2.3508 -2.3508 -1.4158 -1.4158 -0.3008 -0.3008 0.0635 0.0635 0.2241 0.2241 1.6521 1.6521 1.6818 1.6818 3.9990 3.9990 4.4036 4.4036 4.9557 4.9557 5.2327 5.2327 5.4017 5.4017 6.8965 6.8965 11.3330 11.3330 11.7225 11.7225 12.7124 12.7124 13.6192 13.6192 k = 0.1705 0.2954-0.0000 ( 2415 PWs) bands (ev): -12.1995 -12.1995 -10.1008 -10.1008 -7.2719 -7.2719 -5.7360 -5.7360 -5.3253 -5.3253 -4.7549 -4.7549 -2.9831 -2.9831 -2.3134 -2.3134 -1.3910 -1.3910 -0.3619 -0.3619 0.0797 0.0797 0.2351 0.2351 1.5742 1.5742 1.5994 1.5994 4.0718 4.0718 4.4457 4.4457 5.0288 5.0288 5.2415 5.2415 5.3640 5.3640 6.9544 6.9544 11.2044 11.2044 11.7868 11.7868 12.7193 12.7193 13.5814 13.5814 k = 0.1628 0.2820-0.0000 ( 2419 PWs) bands (ev): -12.2316 -12.2316 -10.0260 -10.0260 -7.2624 -7.2624 -5.8068 -5.8068 -5.3445 -5.3445 -4.7827 -4.7827 -2.9230 -2.9230 -2.2730 -2.2730 -1.3674 -1.3674 -0.4221 -0.4221 0.0947 0.0947 0.2460 0.2460 1.4966 1.4966 1.5167 1.5167 4.1474 4.1474 4.4856 4.4856 5.0994 5.0994 5.2518 5.2518 5.3267 5.3267 7.0120 7.0120 11.0798 11.0798 11.8529 11.8529 12.7278 12.7278 13.5441 13.5441 k = 0.1550 0.2685-0.0000 ( 2419 PWs) bands (ev): -12.2625 -12.2625 -9.9502 -9.9502 -7.2530 -7.2530 -5.8796 -5.8796 -5.3633 -5.3633 -4.8094 -4.8094 -2.8627 -2.8627 -2.2297 -2.2297 -1.3449 -1.3449 -0.4810 -0.4810 0.1086 0.1086 0.2568 0.2568 1.4194 1.4194 1.4337 1.4337 4.2251 4.2251 4.5232 4.5232 5.1672 5.1672 5.2633 5.2633 5.2899 5.2899 7.0692 7.0692 10.9594 10.9594 11.9204 11.9204 12.7376 12.7376 13.5075 13.5075 k = 0.1473 0.2551-0.0000 ( 2423 PWs) bands (ev): -12.2921 -12.2921 -9.8737 -9.8737 -7.2438 -7.2438 -5.9543 -5.9543 -5.3815 -5.3815 -4.8350 -4.8350 -2.8022 -2.8022 -2.1840 -2.1840 -1.3236 -1.3236 -0.5383 -0.5383 0.1213 0.1213 0.2674 0.2674 1.3429 1.3429 1.3507 1.3507 4.3046 4.3046 4.5588 4.5588 5.2318 5.2318 5.2539 5.2539 5.2759 5.2759 7.1259 7.1259 10.8434 10.8434 11.9891 11.9891 12.7485 12.7485 13.4717 13.4717 k = 0.1395 0.2417-0.0000 ( 2419 PWs) bands (ev): -12.3204 -12.3204 -9.7965 -9.7965 -7.2348 -7.2348 -6.0307 -6.0307 -5.3992 -5.3992 -4.8595 -4.8595 -2.7417 -2.7417 -2.1360 -2.1360 -1.3033 -1.3033 -0.5938 -0.5938 0.1328 0.1328 0.2778 0.2778 1.2664 1.2664 1.2686 1.2686 4.3855 4.3855 4.5922 4.5922 5.2183 5.2183 5.2890 5.2890 5.2940 5.2940 7.1820 7.1820 10.7321 10.7321 12.0587 12.0587 12.7602 12.7602 13.4368 13.4368 k = 0.1318 0.2283-0.0000 ( 2419 PWs) bands (ev): -12.3473 -12.3473 -9.7188 -9.7188 -7.2260 -7.2260 -6.1083 -6.1083 -5.4163 -5.4163 -4.8828 -4.8828 -2.6814 -2.6814 -2.0860 -2.0860 -1.2840 -1.2840 -0.6473 -0.6473 0.1431 0.1431 0.2880 0.2880 1.1848 1.1848 1.1927 1.1927 4.4673 4.4673 4.6236 4.6236 5.1840 5.1840 5.3031 5.3031 5.3521 5.3521 7.2373 7.2373 10.6254 10.6254 12.1287 12.1287 12.7727 12.7727 13.4031 13.4031 k = 0.1240 0.2148-0.0000 ( 2425 PWs) bands (ev): -12.3729 -12.3729 -9.6407 -9.6407 -7.2176 -7.2176 -6.1870 -6.1870 -5.4327 -5.4327 -4.9049 -4.9049 -2.6214 -2.6214 -2.0344 -2.0344 -1.2657 -1.2657 -0.6986 -0.6986 0.1522 0.1522 0.2978 0.2978 1.1026 1.1026 1.1190 1.1190 4.5494 4.5494 4.6528 4.6528 5.1509 5.1509 5.3173 5.3173 5.4067 5.4067 7.2917 7.2917 10.5237 10.5237 12.1988 12.1988 12.7855 12.7855 13.3706 13.3706 k = 0.1163 0.2014-0.0000 ( 2429 PWs) bands (ev): -12.3970 -12.3970 -9.5624 -9.5624 -7.2096 -7.2096 -6.2664 -6.2664 -5.4484 -5.4484 -4.9259 -4.9259 -2.5621 -2.5621 -1.9814 -1.9814 -1.2483 -1.2483 -0.7475 -0.7475 0.1603 0.1603 0.3072 0.3072 1.0211 1.0211 1.0468 1.0468 4.6314 4.6314 4.6800 4.6800 5.1191 5.1191 5.3317 5.3317 5.4576 5.4576 7.3450 7.3450 10.4270 10.4270 12.2684 12.2684 12.7986 12.7986 13.3395 13.3395 k = 0.1085 0.1880-0.0000 ( 2425 PWs) bands (ev): -12.4197 -12.4197 -9.4842 -9.4842 -7.2018 -7.2018 -6.3462 -6.3462 -5.4632 -5.4632 -4.9456 -4.9456 -2.5036 -2.5036 -1.9273 -1.9273 -1.2319 -1.2319 -0.7938 -0.7938 0.1673 0.1673 0.3163 0.3163 0.9406 0.9406 0.9762 0.9762 4.7051 4.7051 4.7128 4.7128 5.0888 5.0888 5.3460 5.3460 5.5045 5.5045 7.3971 7.3971 10.3356 10.3356 12.3373 12.3373 12.8119 12.8119 13.3099 13.3099 k = 0.1008 0.1745-0.0000 ( 2423 PWs) bands (ev): -12.4410 -12.4410 -9.4063 -9.4063 -7.1945 -7.1945 -6.4260 -6.4260 -5.4772 -5.4772 -4.9640 -4.9640 -2.4463 -2.4463 -1.8726 -1.8726 -1.2164 -1.2164 -0.8373 -0.8373 0.1735 0.1735 0.3249 0.3249 0.8613 0.8613 0.9076 0.9076 4.7286 4.7286 4.7928 4.7928 5.0602 5.0602 5.3600 5.3600 5.5472 5.5472 7.4477 7.4477 10.2495 10.2495 12.4048 12.4048 12.8250 12.8250 13.2820 13.2820 k = 0.0930 0.1611-0.0000 ( 2411 PWs) bands (ev): -12.4607 -12.4607 -9.3290 -9.3290 -7.1876 -7.1876 -6.5054 -6.5054 -5.4904 -5.4904 -4.9811 -4.9811 -2.3903 -2.3903 -1.8174 -1.8174 -1.2019 -1.2019 -0.8780 -0.8780 0.1787 0.1787 0.3331 0.3331 0.7837 0.7837 0.8412 0.8412 4.7500 4.7500 4.8714 4.8714 5.0332 5.0332 5.3737 5.3737 5.5857 5.5857 7.4964 7.4964 10.1690 10.1690 12.4707 12.4707 12.8379 12.8379 13.2556 13.2556 k = 0.0853 0.1477-0.0000 ( 2411 PWs) bands (ev): -12.4790 -12.4790 -9.2528 -9.2528 -7.1812 -7.1812 -6.5838 -6.5838 -5.5026 -5.5026 -4.9970 -4.9970 -2.3363 -2.3363 -1.7625 -1.7625 -1.1884 -1.1884 -0.9158 -0.9158 0.1832 0.1832 0.3407 0.3407 0.7080 0.7080 0.7774 0.7774 4.7695 4.7695 4.9477 4.9477 5.0080 5.0080 5.3868 5.3868 5.6196 5.6196 7.5430 7.5430 10.0942 10.0942 12.5341 12.5341 12.8504 12.8504 13.2311 13.2311 k = 0.0775 0.1343-0.0000 ( 2409 PWs) bands (ev): -12.4957 -12.4957 -9.1781 -9.1781 -7.1752 -7.1752 -6.6609 -6.6609 -5.5138 -5.5138 -5.0115 -5.0115 -2.2844 -2.2844 -1.7081 -1.7081 -1.1760 -1.1760 -0.9504 -0.9504 0.1869 0.1869 0.3478 0.3478 0.6347 0.6347 0.7167 0.7167 4.7872 4.7872 4.9845 4.9845 5.0214 5.0214 5.3993 5.3993 5.6490 5.6490 7.5873 7.5873 10.0253 10.0253 12.5946 12.5946 12.8622 12.8622 13.2084 13.2084 k = 0.0698 0.1208-0.0000 ( 2401 PWs) bands (ev): -12.5109 -12.5109 -9.1055 -9.1055 -7.1697 -7.1697 -6.7359 -6.7359 -5.5241 -5.5241 -5.0246 -5.0246 -2.2352 -2.2352 -1.6550 -1.6550 -1.1645 -1.1645 -0.9819 -0.9819 0.1900 0.1900 0.3543 0.3543 0.5644 0.5644 0.6594 0.6594 4.8031 4.8031 4.9633 4.9633 5.0917 5.0917 5.4109 5.4109 5.6737 5.6737 7.6288 7.6288 9.9623 9.9623 12.6518 12.6518 12.8734 12.8734 13.1876 13.1876 k = 0.0620 0.1074-0.0000 ( 2393 PWs) bands (ev): -12.5245 -12.5245 -9.0356 -9.0356 -7.1648 -7.1648 -6.8080 -6.8080 -5.5334 -5.5334 -5.0365 -5.0365 -2.1892 -2.1892 -1.6038 -1.6038 -1.1542 -1.1542 -1.0102 -1.0102 0.1926 0.1926 0.3602 0.3602 0.4978 0.4978 0.6061 0.6061 4.8174 4.8174 4.9440 4.9440 5.1583 5.1583 5.4216 5.4216 5.6939 5.6939 7.6672 7.6672 9.9055 9.9055 12.7051 12.7051 12.8838 12.8838 13.1689 13.1689 k = 0.0543 0.0940-0.0000 ( 2397 PWs) bands (ev): -12.5366 -12.5366 -8.9693 -8.9693 -7.1604 -7.1604 -6.8764 -6.8764 -5.5416 -5.5416 -5.0469 -5.0469 -2.1467 -2.1467 -1.5552 -1.5552 -1.1449 -1.1449 -1.0351 -1.0351 0.1946 0.1946 0.3655 0.3655 0.4355 0.4355 0.5572 0.5572 4.8298 4.8298 4.9268 4.9268 5.2205 5.2205 5.4313 5.4313 5.7094 5.7094 7.7023 7.7023 9.8549 9.8549 12.7535 12.7535 12.8931 12.8931 13.1524 13.1524 k = 0.0465 0.0806-0.0000 ( 2393 PWs) bands (ev): -12.5471 -12.5471 -8.9076 -8.9076 -7.1565 -7.1565 -6.9401 -6.9401 -5.5488 -5.5488 -5.0560 -5.0560 -2.1084 -2.1084 -1.5101 -1.5101 -1.1369 -1.1369 -1.0565 -1.0565 0.1963 0.1963 0.3701 0.3701 0.3784 0.3784 0.5133 0.5133 4.8405 4.8405 4.9118 4.9118 5.2778 5.2778 5.4398 5.4398 5.7206 5.7206 7.7336 7.7336 9.8107 9.8107 12.7971 12.7971 12.9015 12.9015 13.1378 13.1378 k = 0.0388 0.0671-0.0000 ( 2393 PWs) bands (ev): -12.5559 -12.5559 -8.8518 -8.8518 -7.1533 -7.1533 -6.9977 -6.9977 -5.5549 -5.5549 -5.0637 -5.0637 -2.0748 -2.0748 -1.4695 -1.4695 -1.1300 -1.1300 -1.0746 -1.0746 0.1975 0.1975 0.3274 0.3274 0.3740 0.3740 0.4749 0.4749 4.8495 4.8495 4.8992 4.8992 5.3294 5.3294 5.4473 5.4473 5.7277 5.7277 7.7606 7.7606 9.7730 9.7730 12.8350 12.8350 12.9089 12.9089 13.1255 13.1255 k = 0.0310 0.0537-0.0000 ( 2393 PWs) bands (ev): -12.5632 -12.5632 -8.8030 -8.8030 -7.1506 -7.1506 -7.0479 -7.0479 -5.5599 -5.5599 -5.0701 -5.0701 -2.0464 -2.0464 -1.4345 -1.4345 -1.1243 -1.1243 -1.0891 -1.0891 0.1985 0.1985 0.2836 0.2836 0.3772 0.3772 0.4427 0.4427 4.8568 4.8568 4.8887 4.8887 5.3743 5.3743 5.4535 5.4535 5.7312 5.7312 7.7833 7.7833 9.7421 9.7421 12.8668 12.8668 12.9150 12.9150 13.1153 13.1153 k = 0.0233 0.0403-0.0000 ( 2391 PWs) bands (ev): -12.5689 -12.5689 -8.7629 -8.7629 -7.1485 -7.1485 -7.0892 -7.0892 -5.5638 -5.5638 -5.0750 -5.0750 -2.0238 -2.0238 -1.4059 -1.4059 -1.1198 -1.1198 -1.1002 -1.1002 0.1993 0.1993 0.2481 0.2481 0.3797 0.3797 0.4170 0.4170 4.8625 4.8625 4.8805 4.8805 5.4116 5.4116 5.4584 5.4584 5.7318 5.7318 7.8012 7.8012 9.7179 9.7179 12.8919 12.8919 12.9200 12.9200 13.1073 13.1073 k = 0.0155 0.0269-0.0000 ( 2383 PWs) bands (ev): -12.5729 -12.5729 -8.7329 -8.7329 -7.1470 -7.1470 -7.1201 -7.1201 -5.5666 -5.5666 -5.0785 -5.0785 -2.0072 -2.0072 -1.3848 -1.3848 -1.1166 -1.1166 -1.1079 -1.1079 0.1999 0.1999 0.2218 0.2218 0.3815 0.3815 0.3983 0.3983 4.8666 4.8666 4.8746 4.8746 5.4399 5.4399 5.4621 5.4621 5.7307 5.7307 7.8141 7.8141 9.7005 9.7005 12.9099 12.9099 12.9239 12.9239 13.1016 13.1016 k = 0.0078 0.0134-0.0000 ( 2379 PWs) bands (ev): -12.5753 -12.5753 -8.7143 -8.7143 -7.1461 -7.1461 -7.1392 -7.1392 -5.5683 -5.5683 -5.0806 -5.0806 -1.9972 -1.9972 -1.3719 -1.3719 -1.1147 -1.1147 -1.1124 -1.1124 0.2001 0.2001 0.2058 0.2058 0.3824 0.3824 0.3871 0.3871 4.8689 4.8689 4.8712 4.8712 5.4567 5.4567 5.4652 5.4652 5.7293 5.7293 7.8220 7.8220 9.6901 9.6901 12.9197 12.9197 12.9274 12.9274 13.0981 13.0981 k = 0.0000 0.0000 0.0000 ( 2379 PWs) bands (ev): -12.5762 -12.5762 -8.7079 -8.7079 -7.1461 -7.1461 -7.1454 -7.1454 -5.5688 -5.5688 -5.0813 -5.0813 -1.9938 -1.9938 -1.3675 -1.3675 -1.1143 -1.1143 -1.1137 -1.1137 0.1995 0.1995 0.2011 0.2011 0.3820 0.3820 0.3841 0.3841 4.8693 4.8693 4.8704 4.8704 5.4612 5.4612 5.4677 5.4677 5.7286 5.7286 7.8246 7.8246 9.6866 9.6866 12.9222 12.9222 12.9293 12.9293 13.0967 13.0967 k = 0.0000 0.0000 0.0000 ( 2379 PWs) bands (ev): -12.5762 -12.5762 -8.7079 -8.7079 -7.1461 -7.1461 -7.1454 -7.1454 -5.5688 -5.5688 -5.0813 -5.0813 -1.9938 -1.9938 -1.3675 -1.3675 -1.1143 -1.1143 -1.1137 -1.1137 0.1995 0.1995 0.2011 0.2011 0.3820 0.3820 0.3841 0.3841 4.8693 4.8693 4.8704 4.8704 5.4612 5.4612 5.4677 5.4677 5.7286 5.7286 7.8246 7.8246 9.6866 9.6866 12.9222 12.9222 12.9293 12.9293 13.0967 13.0967 k = 0.0000 0.0000 0.0154 ( 2379 PWs) bands (ev): -12.5751 -12.5751 -8.7068 -8.7068 -7.1454 -7.1454 -7.1447 -7.1447 -5.6164 -5.6164 -5.0324 -5.0324 -2.0293 -2.0293 -1.3313 -1.3313 -1.1131 -1.1131 -1.1125 -1.1125 0.1375 0.1375 0.1393 0.1393 0.4443 0.4443 0.4463 0.4463 4.8633 4.8633 4.8644 4.8644 5.4634 5.4634 5.4700 5.4700 5.7261 5.7261 7.8249 7.8249 9.6878 9.6878 12.9171 12.9171 12.9241 12.9241 13.1057 13.1057 k = 0.0000 0.0000 0.0307 ( 2391 PWs) bands (ev): -12.5721 -12.5721 -8.7035 -8.7035 -7.1434 -7.1434 -7.1427 -7.1427 -5.7257 -5.7257 -4.9188 -4.9188 -2.1187 -2.1187 -1.2400 -1.2400 -1.1096 -1.1096 -1.1090 -1.1090 0.0286 0.0286 0.0304 0.0304 0.5543 0.5543 0.5563 0.5563 4.8456 4.8456 4.8467 4.8467 5.4701 5.4701 5.4765 5.4765 5.7185 5.7185 7.8259 7.8259 9.6913 9.6913 12.9033 12.9033 12.9101 12.9101 13.1310 13.1310 k = 0.0000 0.0000 0.0461 ( 2391 PWs) bands (ev): -12.5670 -12.5670 -8.6980 -8.6980 -7.1401 -7.1401 -7.1394 -7.1394 -5.8589 -5.8589 -4.7785 -4.7785 -2.2359 -2.2359 -1.1196 -1.1196 -1.1037 -1.1037 -1.1031 -1.1031 -0.0880 -0.0880 -0.0862 -0.0862 0.6730 0.6730 0.6750 0.6750 4.8168 4.8168 4.8180 4.8180 5.4804 5.4804 5.4869 5.4869 5.7058 5.7058 7.8274 7.8274 9.6972 9.6972 12.8833 12.8833 12.8901 12.8901 13.1702 13.1702 k = 0.0000 0.0000 0.0615 ( 2391 PWs) bands (ev): -12.5598 -12.5598 -8.6902 -8.6902 -7.1354 -7.1354 -7.1347 -7.1347 -6.0009 -6.0009 -4.6265 -4.6265 -2.3662 -2.3662 -1.0955 -1.0955 -1.0949 -1.0949 -0.9848 -0.9848 -0.2065 -0.2065 -0.2046 -0.2046 0.7943 0.7943 0.7963 0.7963 4.7781 4.7781 4.7792 4.7792 5.4937 5.4937 5.5001 5.5001 5.6881 5.6881 7.8296 7.8296 9.7055 9.7055 12.8587 12.8587 12.8655 12.8655 13.2216 13.2216 k = 0.0000 0.0000 0.0768 ( 2397 PWs) bands (ev): -12.5507 -12.5507 -8.6802 -8.6802 -7.1294 -7.1294 -7.1287 -7.1287 -6.1464 -6.1464 -4.4682 -4.4682 -2.5029 -2.5029 -1.0850 -1.0850 -1.0843 -1.0843 -0.8424 -0.8424 -0.3252 -0.3252 -0.3233 -0.3233 0.9166 0.9166 0.9186 0.9186 4.7303 4.7303 4.7315 4.7315 5.5090 5.5090 5.5155 5.5155 5.6649 5.6649 7.8323 7.8323 9.7162 9.7162 12.8300 12.8300 12.8367 12.8367 13.2843 13.2843 k = 0.0000 0.0000 0.0922 ( 2385 PWs) bands (ev): -12.5394 -12.5394 -8.6679 -8.6679 -7.1221 -7.1221 -7.1214 -7.1214 -6.2929 -6.2929 -4.3060 -4.3060 -2.6427 -2.6427 -1.0721 -1.0721 -1.0714 -1.0714 -0.6956 -0.6956 -0.4433 -0.4433 -0.4415 -0.4415 1.0394 1.0394 1.0413 1.0413 4.6746 4.6746 4.6758 4.6758 5.5260 5.5260 5.5324 5.5324 5.6372 5.6372 7.8357 7.8357 9.7292 9.7292 12.7975 12.7975 12.8043 12.8043 13.3582 13.3582 k = 0.0000 0.0000 0.1076 ( 2385 PWs) bands (ev): -12.5262 -12.5262 -8.6535 -8.6535 -7.1135 -7.1135 -7.1129 -7.1129 -6.4393 -6.4393 -4.1411 -4.1411 -2.7839 -2.7839 -1.0569 -1.0569 -1.0562 -1.0562 -0.5609 -0.5609 -0.5589 -0.5589 -0.5462 -0.5462 1.1620 1.1620 1.1639 1.1639 4.6118 4.6118 4.6130 4.6130 5.5439 5.5439 5.5504 5.5504 5.6044 5.6044 7.8396 7.8396 9.7446 9.7446 12.7613 12.7613 12.7681 12.7681 13.4430 13.4430 k = 0.0000 0.0000 0.1230 ( 2391 PWs) bands (ev): -12.5110 -12.5110 -8.6368 -8.6368 -7.1037 -7.1037 -7.1031 -7.1031 -6.5851 -6.5851 -3.9741 -3.9741 -2.9258 -2.9258 -1.0394 -1.0394 -1.0387 -1.0387 -0.6773 -0.6773 -0.6754 -0.6754 -0.3955 -0.3955 1.2843 1.2843 1.2862 1.2862 4.5427 4.5427 4.5439 4.5439 5.5623 5.5623 5.5669 5.5669 5.5690 5.5690 7.8441 7.8441 9.7623 9.7623 12.7215 12.7215 12.7283 12.7283 13.5384 13.5384 k = 0.0000 0.0000 0.1383 ( 2391 PWs) bands (ev): -12.4937 -12.4937 -8.6179 -8.6179 -7.0927 -7.0927 -7.0920 -7.0920 -6.7299 -6.7299 -3.8053 -3.8053 -3.0675 -3.0675 -1.0196 -1.0196 -1.0189 -1.0189 -0.7926 -0.7926 -0.7907 -0.7907 -0.2438 -0.2438 1.4062 1.4062 1.4081 1.4081 4.4679 4.4679 4.4691 4.4691 5.5238 5.5238 5.5817 5.5817 5.5881 5.5881 7.8491 7.8491 9.7824 9.7824 12.6782 12.6782 12.6850 12.6850 13.6440 13.6440 k = 0.0000 0.0000 0.1537 ( 2391 PWs) bands (ev): -12.4745 -12.4745 -8.5968 -8.5968 -7.0804 -7.0804 -7.0798 -7.0798 -6.8733 -6.8733 -3.6351 -3.6351 -3.2087 -3.2087 -0.9975 -0.9975 -0.9968 -0.9968 -0.9066 -0.9066 -0.9047 -0.9047 -0.0917 -0.0917 1.5273 1.5273 1.5292 1.5292 4.3880 4.3880 4.3892 4.3892 5.4762 5.4762 5.6012 5.6012 5.6076 5.6076 7.8546 7.8546 9.8049 9.8049 12.6317 12.6317 12.6385 12.6385 13.7595 13.7595 k = 0.0000 0.0000 0.1691 ( 2391 PWs) bands (ev): -12.4533 -12.4533 -8.5735 -8.5735 -7.0670 -7.0670 -7.0664 -7.0664 -7.0153 -7.0153 -3.4635 -3.4635 -3.3493 -3.3493 -1.0191 -1.0191 -1.0173 -1.0173 -0.9731 -0.9731 -0.9724 -0.9724 0.0605 0.0605 1.6476 1.6476 1.6495 1.6495 4.3035 4.3035 4.3048 4.3048 5.4236 5.4236 5.6208 5.6208 5.6273 5.6273 7.8606 7.8606 9.8298 9.8298 12.5822 12.5822 12.5890 12.5890 13.8843 13.8843 k = 0.0000 0.0000 0.1844 ( 2391 PWs) bands (ev): -12.4301 -12.4301 -8.5479 -8.5479 -7.1558 -7.1558 -7.0525 -7.0525 -7.0519 -7.0519 -3.4889 -3.4889 -3.2908 -3.2908 -1.1301 -1.1301 -1.1283 -1.1283 -0.9465 -0.9465 -0.9458 -0.9458 0.2124 0.2124 1.7668 1.7668 1.7687 1.7687 4.2151 4.2151 4.2163 4.2163 5.3661 5.3661 5.6407 5.6407 5.6472 5.6472 7.8671 7.8671 9.8569 9.8569 12.5300 12.5300 12.5368 12.5368 14.0182 14.0182 k = 0.0000 0.0000 0.1998 ( 2379 PWs) bands (ev): -12.4050 -12.4050 -8.5201 -8.5201 -7.2946 -7.2946 -7.0369 -7.0369 -7.0363 -7.0363 -3.6275 -3.6275 -3.1170 -3.1170 -1.2395 -1.2395 -1.2376 -1.2376 -0.9177 -0.9177 -0.9170 -0.9170 0.3637 0.3637 1.8848 1.8848 1.8868 1.8868 4.1231 4.1231 4.1243 4.1243 5.3039 5.3039 5.6608 5.6608 5.6674 5.6674 7.8740 7.8740 9.8865 9.8865 12.4755 12.4755 12.4822 12.4822 14.1606 14.1606 k = 0.0000 0.0000 0.2152 ( 2397 PWs) bands (ev): -12.3780 -12.3780 -8.4902 -8.4902 -7.4316 -7.4316 -7.0203 -7.0203 -7.0197 -7.0197 -3.7650 -3.7650 -2.9423 -2.9423 -1.3471 -1.3471 -1.3452 -1.3452 -0.8867 -0.8867 -0.8860 -0.8860 0.5141 0.5141 2.0014 2.0014 2.0033 2.0033 4.0277 4.0277 4.0289 4.0289 5.2367 5.2367 5.6810 5.6810 5.6876 5.6876 7.8809 7.8809 9.9184 9.9184 12.4188 12.4188 12.4254 12.4254 14.3109 14.3110 k = 0.0000 0.0000 0.2305 ( 2397 PWs) bands (ev): -12.3491 -12.3491 -8.4580 -8.4580 -7.5668 -7.5668 -7.0028 -7.0028 -7.0022 -7.0022 -3.9012 -3.9012 -2.7666 -2.7666 -1.4527 -1.4527 -1.4509 -1.4509 -0.8535 -0.8535 -0.8528 -0.8528 0.6634 0.6634 2.1164 2.1164 2.1183 2.1183 3.9298 3.9298 3.9310 3.9310 5.1650 5.1650 5.7014 5.7014 5.7080 5.7080 7.8883 7.8883 9.9526 9.9526 12.3604 12.3604 12.3670 12.3670 14.4687 14.4690 k = 0.0000 0.0000 0.2459 ( 2409 PWs) bands (ev): -12.3183 -12.3183 -8.4237 -8.4237 -7.7000 -7.7000 -6.9843 -6.9843 -6.9837 -6.9837 -4.0360 -4.0360 -2.5903 -2.5903 -1.5565 -1.5565 -1.5546 -1.5546 -0.8182 -0.8182 -0.8175 -0.8175 0.8114 0.8114 2.2295 2.2295 2.2315 2.2315 3.8297 3.8297 3.8309 3.8309 5.0883 5.0883 5.7219 5.7219 5.7286 5.7286 7.8962 7.8962 9.9891 9.9891 12.3006 12.3006 12.3072 12.3072 14.6343 14.6344 k = 0.0000 0.0000 0.2613 ( 2409 PWs) bands (ev): -12.2856 -12.2856 -8.3871 -8.3871 -7.8313 -7.8313 -6.9650 -6.9650 -6.9644 -6.9644 -4.1695 -4.1695 -2.4134 -2.4134 -1.6579 -1.6579 -1.6560 -1.6560 -0.7808 -0.7808 -0.7800 -0.7800 0.9577 0.9577 2.3408 2.3408 2.3427 2.3427 3.7277 3.7277 3.7289 3.7289 5.0072 5.0072 5.7426 5.7426 5.7493 5.7493 7.9043 7.9043 10.0280 10.0280 12.2399 12.2399 12.2465 12.2465 14.7186 14.7187 k = 0.0000 0.0000 0.2767 ( 2409 PWs) bands (ev): -12.2512 -12.2512 -8.3483 -8.3483 -7.9605 -7.9605 -6.9450 -6.9450 -6.9444 -6.9444 -4.3014 -4.3014 -2.2359 -2.2359 -1.7571 -1.7571 -1.7552 -1.7552 -0.7414 -0.7414 -0.7406 -0.7406 1.1021 1.1021 2.4498 2.4498 2.4517 2.4517 3.6243 3.6243 3.6255 3.6255 4.9216 4.9216 5.7633 5.7633 5.7700 5.7700 7.9126 7.9126 10.0691 10.0691 12.1786 12.1786 12.1851 12.1851 14.6037 14.6037 k = 0.0000 0.0000 0.2920 ( 2409 PWs) bands (ev): -12.2150 -12.2150 -8.3074 -8.3074 -8.0876 -8.0876 -6.9243 -6.9243 -6.9237 -6.9237 -4.4319 -4.4319 -2.0579 -2.0579 -1.8539 -1.8539 -1.8520 -1.8520 -0.6999 -0.6999 -0.6991 -0.6991 1.2443 1.2443 2.5565 2.5565 2.5584 2.5584 3.5197 3.5197 3.5208 3.5208 4.8315 4.8315 5.7841 5.7841 5.7909 5.7909 7.9211 7.9211 10.1125 10.1125 12.1169 12.1169 12.1233 12.1233 14.4868 14.4868 k = 0.0000 0.0000 0.3074 ( 2421 PWs) bands (ev): -12.1771 -12.1771 -8.2642 -8.2642 -8.2127 -8.2127 -6.9030 -6.9030 -6.9024 -6.9024 -4.5608 -4.5608 -1.9482 -1.9482 -1.9463 -1.9463 -1.8795 -1.8795 -0.6566 -0.6566 -0.6557 -0.6557 1.3840 1.3840 2.6605 2.6605 2.6625 2.6625 3.4142 3.4142 3.4154 3.4154 4.7370 4.7370 5.8048 5.8048 5.8117 5.8117 7.9297 7.9297 10.1581 10.1581 12.0551 12.0551 12.0616 12.0616 14.3683 14.3683 k = 0.0000 0.0000 0.3228 ( 2415 PWs) bands (ev): -12.1375 -12.1375 -8.3353 -8.3353 -8.2189 -8.2189 -6.8812 -6.8812 -6.8806 -6.8806 -4.6880 -4.6880 -2.0398 -2.0398 -2.0378 -2.0378 -1.7008 -1.7008 -0.6113 -0.6113 -0.6104 -0.6104 1.5210 1.5210 2.7618 2.7618 2.7637 2.7637 3.3083 3.3083 3.3095 3.3095 4.6383 4.6383 5.8256 5.8256 5.8324 5.8324 7.9384 7.9384 10.2059 10.2059 11.9938 11.9938 12.0002 12.0002 14.2488 14.2488 k = 0.0000 0.0000 0.3381 ( 2415 PWs) bands (ev): -12.0964 -12.0964 -8.4555 -8.4555 -8.1714 -8.1714 -6.8591 -6.8591 -6.8585 -6.8585 -4.8137 -4.8137 -2.1286 -2.1286 -2.1266 -2.1266 -1.5220 -1.5220 -0.5643 -0.5643 -0.5634 -0.5634 1.6548 1.6548 2.8600 2.8600 2.8620 2.8620 3.2023 3.2023 3.2035 3.2035 4.5354 4.5354 5.8462 5.8462 5.8531 5.8531 7.9471 7.9471 10.2559 10.2559 11.9331 11.9331 11.9395 11.9395 14.1287 14.1287 k = 0.0000 0.0000 0.3535 ( 2415 PWs) bands (ev): -12.0537 -12.0537 -8.5733 -8.5733 -8.1218 -8.1218 -6.8367 -6.8367 -6.8361 -6.8361 -4.9376 -4.9376 -2.2143 -2.2143 -2.2124 -2.2124 -1.3431 -1.3431 -0.5156 -0.5156 -0.5146 -0.5146 1.7850 1.7850 2.9551 2.9551 2.9570 2.9570 3.0964 3.0964 3.0977 3.0977 4.4284 4.4284 5.8666 5.8666 5.8735 5.8735 7.9558 7.9558 10.3081 10.3081 11.8734 11.8734 11.8797 11.8797 14.0082 14.0082 k = 0.0000 0.0000 0.3689 ( 2427 PWs) bands (ev): -12.0097 -12.0097 -8.6885 -8.6885 -8.0699 -8.0699 -6.8141 -6.8141 -6.8136 -6.8136 -5.0599 -5.0599 -2.2970 -2.2970 -2.2951 -2.2951 -1.1642 -1.1642 -0.4653 -0.4653 -0.4643 -0.4643 1.9114 1.9114 2.9910 2.9910 2.9922 2.9922 3.0466 3.0466 3.0487 3.0487 4.3174 4.3174 5.8866 5.8866 5.8936 5.8936 7.9644 7.9644 10.3622 10.3622 11.8150 11.8150 11.8212 11.8212 13.8879 13.8879 k = 0.0000 0.0000 0.3842 ( 2433 PWs) bands (ev): -11.9644 -11.9644 -8.8010 -8.8010 -8.0159 -8.0159 -6.7916 -6.7916 -6.7911 -6.7911 -5.1804 -5.1804 -2.3765 -2.3765 -2.3745 -2.3745 -0.9855 -0.9855 -0.4136 -0.4136 -0.4126 -0.4126 2.0335 2.0335 2.8864 2.8864 2.8877 2.8877 3.1346 3.1346 3.1366 3.1366 4.2027 4.2027 5.9064 5.9064 5.9134 5.9134 7.9728 7.9728 10.4183 10.4183 11.7581 11.7581 11.7643 11.7643 13.7681 13.7681 k = 0.0000 0.0000 0.3996 ( 2433 PWs) bands (ev): -11.9179 -11.9179 -8.9107 -8.9107 -7.9597 -7.9597 -6.7692 -6.7692 -6.7687 -6.7687 -5.2992 -5.2992 -2.4524 -2.4524 -2.4504 -2.4504 -0.8071 -0.8071 -0.3605 -0.3605 -0.3594 -0.3594 2.1513 2.1513 2.7830 2.7830 2.7843 2.7843 3.2186 3.2186 3.2206 3.2206 4.0840 4.0840 5.9257 5.9257 5.9327 5.9327 7.9811 7.9811 10.4763 10.4763 11.7031 11.7031 11.7092 11.7092 13.6490 13.6490 k = 0.0000 0.0000 0.4150 ( 2433 PWs) bands (ev): -11.8705 -11.8705 -9.0172 -9.0172 -7.9014 -7.9014 -6.7471 -6.7471 -6.7466 -6.7466 -5.4161 -5.4161 -2.5247 -2.5247 -2.5227 -2.5227 -0.6292 -0.6292 -0.3063 -0.3063 -0.3052 -0.3052 2.2639 2.2639 2.6810 2.6810 2.6824 2.6824 3.2984 3.2984 3.3004 3.3004 3.9619 3.9619 5.9444 5.9444 5.9514 5.9514 7.9891 7.9891 10.5361 10.5361 11.6502 11.6502 11.6563 11.6563 13.5312 13.5312 k = 0.0000 0.0000 0.4303 ( 2433 PWs) bands (ev): -11.8223 -11.8223 -9.1205 -9.1205 -7.8410 -7.8410 -6.7255 -6.7255 -6.7250 -6.7250 -5.5312 -5.5312 -2.5932 -2.5932 -2.5912 -2.5912 -0.4518 -0.4518 -0.2513 -0.2513 -0.2502 -0.2502 2.3712 2.3712 2.5809 2.5809 2.5823 2.5823 3.3739 3.3739 3.3759 3.3759 3.8365 3.8365 5.9625 5.9625 5.9695 5.9695 7.9968 7.9968 10.5974 10.5974 11.5997 11.5997 11.6057 11.6057 13.4149 13.4149 k = 0.0000 0.0000 0.4457 ( 2433 PWs) bands (ev): -11.7735 -11.7735 -9.2203 -9.2203 -7.7785 -7.7785 -6.7045 -6.7045 -6.7040 -6.7040 -5.6444 -5.6444 -2.6576 -2.6576 -2.6556 -2.6556 -0.2752 -0.2752 -0.1957 -0.1957 -0.1944 -0.1944 2.4727 2.4727 2.4831 2.4831 2.4845 2.4845 3.4448 3.4448 3.4468 3.4468 3.7079 3.7079 5.9798 5.9798 5.9869 5.9869 8.0042 8.0042 10.6602 10.6602 11.5518 11.5518 11.5578 11.5578 13.3005 13.3005 k = 0.0000 0.0000 0.4611 ( 2433 PWs) bands (ev): -11.7246 -11.7246 -9.3163 -9.3163 -7.7138 -7.7138 -6.6843 -6.6843 -6.6838 -6.6838 -5.7557 -5.7557 -2.7179 -2.7179 -2.7159 -2.7159 -0.1398 -0.1398 -0.1385 -0.1385 -0.0995 -0.0995 2.3879 2.3879 2.3894 2.3894 2.5680 2.5680 3.5110 3.5110 3.5130 3.5130 3.5764 3.5764 5.9962 5.9962 6.0033 6.0033 8.0112 8.0112 10.7241 10.7241 11.5068 11.5068 11.5127 11.5127 13.1885 13.1885 k = 0.0000 0.0000 0.4765 ( 2433 PWs) bands (ev): -11.6758 -11.6758 -9.4081 -9.4081 -7.6471 -7.6471 -6.6650 -6.6650 -6.6646 -6.6646 -5.8651 -5.8651 -2.7738 -2.7738 -2.7717 -2.7717 -0.0840 -0.0840 -0.0826 -0.0826 0.0749 0.0749 2.2960 2.2960 2.2976 2.2976 2.6567 2.6567 3.4422 3.4422 3.5722 3.5722 3.5742 3.5742 6.0117 6.0117 6.0188 6.0188 8.0178 8.0178 10.7889 10.7889 11.4648 11.4648 11.4708 11.4708 13.0793 13.0793 k = 0.0000 0.0000 0.4918 ( 2433 PWs) bands (ev): -11.6275 -11.6275 -9.4952 -9.4952 -7.5783 -7.5783 -6.6469 -6.6469 -6.6465 -6.6465 -5.9725 -5.9725 -2.8251 -2.8251 -2.8230 -2.8230 -0.0289 -0.0289 -0.0274 -0.0274 0.2477 0.2477 2.2079 2.2079 2.2095 2.2095 2.7385 2.7385 3.3057 3.3057 3.6282 3.6282 3.6302 3.6302 6.0260 6.0260 6.0332 6.0332 8.0239 8.0239 10.8541 10.8541 11.4262 11.4262 11.4321 11.4321 12.9736 12.9736 k = 0.0000 0.0000 0.5072 ( 2433 PWs) bands (ev): -11.5805 -11.5805 -9.5770 -9.5770 -7.5074 -7.5074 -6.6301 -6.6301 -6.6297 -6.6297 -6.0779 -6.0779 -2.8716 -2.8716 -2.8695 -2.8695 0.0250 0.0250 0.0265 0.0265 0.4185 0.4185 2.1242 2.1242 2.1260 2.1260 2.8128 2.8128 3.1673 3.1673 3.6788 3.6788 3.6808 3.6808 6.0392 6.0392 6.0464 6.0464 8.0295 8.0295 10.9191 10.9191 11.3911 11.3911 11.3970 11.3970 12.8719 12.8719 k = 0.0000 0.0000 0.5226 ( 2433 PWs) bands (ev): -11.5352 -11.5352 -9.6530 -9.6530 -7.4346 -7.4346 -6.6148 -6.6148 -6.6144 -6.6144 -6.1813 -6.1813 -2.9131 -2.9131 -2.9111 -2.9111 0.0769 0.0769 0.0785 0.0785 0.5868 0.5868 2.0459 2.0459 2.0478 2.0478 2.8794 2.8794 3.0277 3.0277 3.7239 3.7239 3.7260 3.7260 6.0511 6.0511 6.0583 6.0583 8.0345 8.0345 10.9833 10.9833 11.3597 11.3597 11.3655 11.3655 12.7752 12.7752 k = 0.0000 0.0000 0.5379 ( 2427 PWs) bands (ev): -11.4926 -11.4926 -9.7223 -9.7223 -7.3598 -7.3598 -6.6012 -6.6012 -6.6008 -6.6008 -6.2825 -6.2825 -2.9496 -2.9496 -2.9475 -2.9475 0.1258 0.1258 0.1275 0.1275 0.7517 0.7517 1.9740 1.9740 1.9759 1.9759 2.8877 2.8877 2.9381 2.9381 3.7635 3.7635 3.7655 3.7655 6.0616 6.0616 6.0688 6.0688 8.0389 8.0389 11.0455 11.0455 11.3321 11.3321 11.3379 11.3379 12.6846 12.6846 k = 0.0000 0.0000 0.5533 ( 2427 PWs) bands (ev): -11.4536 -11.4536 -9.7838 -9.7838 -7.2833 -7.2833 -6.5893 -6.5893 -6.5889 -6.5889 -6.3815 -6.3815 -2.9807 -2.9807 -2.9786 -2.9786 0.1707 0.1707 0.1725 0.1725 0.9116 0.9116 1.9095 1.9095 1.9115 1.9115 2.7486 2.7486 2.9882 2.9882 3.7971 3.7971 3.7992 3.7992 6.0706 6.0706 6.0779 6.0779 8.0427 8.0427 11.1045 11.1045 11.3085 11.3085 11.3143 11.3143 12.6014 12.6014 k = 0.0000 0.0000 0.5687 ( 2415 PWs) bands (ev): -11.4193 -11.4193 -9.8366 -9.8366 -7.2051 -7.2051 -6.5794 -6.5794 -6.5790 -6.5790 -6.4780 -6.4780 -3.0064 -3.0064 -3.0043 -3.0043 0.2102 0.2102 0.2122 0.2122 1.0645 1.0645 1.8538 1.8538 1.8560 1.8560 2.6128 2.6128 3.0296 3.0296 3.8249 3.8249 3.8269 3.8269 6.0781 6.0781 6.0854 6.0854 8.0459 8.0459 11.1583 11.1583 11.2891 11.2891 11.2949 11.2949 12.5277 12.5277 k = 0.0000 0.0000 0.5840 ( 2397 PWs) bands (ev): -11.3908 -11.3908 -9.8794 -9.8794 -7.1257 -7.1257 -6.5717 -6.5717 -6.5715 -6.5715 -6.5712 -6.5712 -3.0265 -3.0265 -3.0244 -3.0244 0.2432 0.2432 0.2452 0.2452 1.2063 1.2063 1.8084 1.8084 1.8106 1.8106 2.4844 2.4844 3.0621 3.0621 3.8467 3.8467 3.8487 3.8487 6.0841 6.0841 6.0913 6.0913 8.0484 8.0484 11.2049 11.2049 11.2740 11.2740 11.2798 11.2798 12.4658 12.4658 k = 0.0000 0.0000 0.5994 ( 2396 PWs) bands (ev): -11.3694 -11.3694 -9.9110 -9.9110 -7.0466 -7.0466 -6.6609 -6.6609 -6.5659 -6.5659 -6.5655 -6.5655 -3.0409 -3.0409 -3.0388 -3.0388 0.2679 0.2679 0.2701 0.2701 1.3290 1.3290 1.7746 1.7746 1.7769 1.7769 2.3713 2.3713 3.0854 3.0854 3.8622 3.8622 3.8643 3.8643 6.0883 6.0883 6.0956 6.0956 8.0502 8.0502 11.2412 11.2412 11.2631 11.2631 11.2688 11.2688 12.4184 12.4184 k = 0.0000 0.0000 0.6148 ( 2396 PWs) bands (ev): -11.3561 -11.3561 -9.9305 -9.9305 -6.9728 -6.9728 -6.7408 -6.7408 -6.5625 -6.5625 -6.5621 -6.5621 -3.0496 -3.0496 -3.0475 -3.0475 0.2834 0.2834 0.2856 0.2856 1.4178 1.4178 1.7537 1.7537 1.7561 1.7561 2.2882 2.2882 3.0995 3.0995 3.8716 3.8716 3.8736 3.8736 6.0909 6.0909 6.0982 6.0982 8.0512 8.0512 11.2565 11.2565 11.2622 11.2622 11.2645 11.2645 12.3884 12.3884 k = 0.0000 0.0000 0.6302 ( 2390 PWs) bands (ev): -11.3514 -11.3514 -9.9370 -9.9370 -6.9322 -6.9322 -6.7835 -6.7835 -6.5613 -6.5613 -6.5609 -6.5609 -3.0525 -3.0525 -3.0504 -3.0504 0.2887 0.2887 0.2908 0.2908 1.4515 1.4515 1.7466 1.7466 1.7490 1.7490 2.2563 2.2563 3.1041 3.1041 3.8747 3.8747 3.8767 3.8767 6.0920 6.0920 6.0993 6.0993 8.0516 8.0516 11.2543 11.2543 11.2601 11.2601 11.2725 11.2725 12.3781 12.3781 k = 0.0000 0.0000 0.6302 ( 2390 PWs) bands (ev): -11.3514 -11.3514 -9.9370 -9.9370 -6.9322 -6.9322 -6.7835 -6.7835 -6.5613 -6.5613 -6.5609 -6.5609 -3.0525 -3.0525 -3.0504 -3.0504 0.2887 0.2887 0.2908 0.2908 1.4515 1.4515 1.7466 1.7466 1.7490 1.7490 2.2563 2.2563 3.1041 3.1041 3.8747 3.8747 3.8767 3.8767 6.0920 6.0920 6.0993 6.0993 8.0516 8.0516 11.2543 11.2543 11.2601 11.2601 11.2725 11.2725 12.3781 12.3781 k = 0.0132 0.0076 0.6302 ( 2400 PWs) bands (ev): -11.3508 -11.3508 -9.9363 -9.9363 -6.9346 -6.9346 -6.8255 -6.8255 -6.5613 -6.5613 -6.5184 -6.5184 -3.0522 -3.0522 -3.0484 -3.0484 0.2876 0.2876 0.2916 0.2916 1.4527 1.4527 1.7448 1.7448 1.7494 1.7494 2.2584 2.2584 3.1039 3.1039 3.8738 3.8738 3.8759 3.8759 6.0903 6.0903 6.0979 6.0979 8.0496 8.0496 11.2502 11.2502 11.2574 11.2574 11.2760 11.2760 12.3812 12.3812 k = 0.0263 0.0152 0.6302 ( 2406 PWs) bands (ev): -11.3484 -11.3484 -9.9342 -9.9342 -6.9417 -6.9417 -6.9100 -6.9100 -6.5620 -6.5620 -6.4318 -6.4318 -3.0531 -3.0531 -3.0402 -3.0402 0.2825 0.2825 0.2961 0.2961 1.4561 1.4561 1.7370 1.7370 1.7528 1.7528 2.2646 2.2646 3.1035 3.1035 3.8711 3.8711 3.8736 3.8736 6.0847 6.0847 6.0955 6.0955 8.0436 8.0436 11.2353 11.2353 11.2524 11.2524 11.2864 11.2864 12.3903 12.3903 k = 0.0395 0.0228 0.6302 ( 2406 PWs) bands (ev): -11.3445 -11.3445 -9.9306 -9.9306 -7.0055 -7.0055 -6.9534 -6.9534 -6.5632 -6.5632 -6.3329 -6.3329 -3.0549 -3.0549 -3.0265 -3.0265 0.2737 0.2737 0.3039 0.3039 1.4617 1.4617 1.7241 1.7241 1.7588 1.7588 2.2746 2.2746 3.1029 3.1029 3.8664 3.8664 3.8701 3.8701 6.0738 6.0738 6.0933 6.0933 8.0338 8.0338 11.2097 11.2097 11.2459 11.2459 11.3036 11.3036 12.4055 12.4055 k = 0.0526 0.0304 0.6302 ( 2414 PWs) bands (ev): -11.3390 -11.3390 -9.9255 -9.9255 -7.1041 -7.1041 -6.9696 -6.9696 -6.5647 -6.5647 -6.2295 -6.2295 -3.0576 -3.0576 -3.0074 -3.0074 0.2614 0.2614 0.3148 0.3148 1.4695 1.4695 1.7067 1.7067 1.7672 1.7672 2.2878 2.2878 3.1021 3.1021 3.8594 3.8594 3.8654 3.8654 6.0582 6.0582 6.0909 6.0909 8.0201 8.0201 11.1743 11.1743 11.2370 11.2370 11.3276 11.3276 12.4264 12.4264 k = 0.0658 0.0380 0.6302 ( 2410 PWs) bands (ev): -11.3320 -11.3320 -9.9190 -9.9190 -7.2035 -7.2035 -6.9901 -6.9901 -6.5667 -6.5667 -6.1239 -6.1239 -3.0609 -3.0609 -2.9831 -2.9831 0.2459 0.2459 0.3288 0.3288 1.4793 1.4793 1.6856 1.6856 1.7780 1.7780 2.3037 2.3037 3.1009 3.1009 3.8504 3.8504 3.8595 3.8595 6.0382 6.0382 6.0880 6.0880 8.0028 8.0028 11.1300 11.1300 11.2257 11.2257 11.3584 11.3584 12.4529 12.4529 k = 0.0789 0.0456 0.6302 ( 2418 PWs) bands (ev): -11.3234 -11.3234 -9.9112 -9.9112 -7.3029 -7.3029 -7.0148 -7.0148 -6.5691 -6.5691 -6.0170 -6.0170 -3.0650 -3.0650 -2.9538 -2.9538 0.2272 0.2272 0.3458 0.3458 1.4910 1.4910 1.6612 1.6612 1.7910 1.7910 2.3216 2.3216 3.0995 3.0995 3.8393 3.8393 3.8521 3.8521 6.0142 6.0142 6.0845 6.0845 7.9820 7.9820 11.0774 11.0774 11.2118 11.2118 11.3957 11.3957 12.4848 12.4848 k = 0.0921 0.0532 0.6302 ( 2418 PWs) bands (ev): -11.3132 -11.3132 -9.9018 -9.9018 -7.4019 -7.4019 -7.0434 -7.0434 -6.5719 -6.5719 -5.9093 -5.9093 -3.0696 -3.0696 -2.9200 -2.9200 0.2055 0.2055 0.3658 0.3658 1.5044 1.5044 1.6342 1.6342 1.8062 1.8062 2.3411 2.3411 3.0979 3.0979 3.8262 3.8262 3.8435 3.8435 5.9866 5.9866 6.0804 6.0804 7.9581 7.9581 11.0175 11.0175 11.1954 11.1954 11.4394 11.4394 12.5219 12.5219 k = 0.1053 0.0608 0.6302 ( 2418 PWs) bands (ev): -11.3016 -11.3016 -9.8911 -9.8911 -7.5001 -7.5001 -7.0757 -7.0757 -6.5751 -6.5751 -5.8010 -5.8010 -3.0749 -3.0749 -2.8817 -2.8817 0.1810 0.1810 0.3887 0.3887 1.5195 1.5195 1.6048 1.6048 1.8235 1.8235 2.3618 2.3618 3.0960 3.0960 3.8110 3.8110 3.8336 3.8336 5.9556 5.9556 6.0756 6.0756 7.9312 7.9312 10.9511 10.9511 11.1763 11.1763 11.4894 11.4894 12.5641 12.5641 k = 0.1184 0.0684 0.6302 ( 2418 PWs) bands (ev): -11.2884 -11.2884 -9.8790 -9.8790 -7.5975 -7.5975 -7.1112 -7.1112 -6.5786 -6.5786 -5.6923 -5.6923 -3.0808 -3.0808 -2.8394 -2.8394 0.1539 0.1539 0.4145 0.4145 1.5361 1.5361 1.5735 1.5735 1.8428 1.8428 2.3833 2.3833 3.0939 3.0939 3.7937 3.7937 3.8222 3.8222 5.9218 5.9218 6.0702 6.0702 7.9016 7.9016 10.8791 10.8791 11.1547 11.1547 11.5455 11.5455 12.6111 12.6111 k = 0.1316 0.0760 0.6302 ( 2422 PWs) bands (ev): -11.2737 -11.2737 -9.8655 -9.8655 -7.6939 -7.6939 -7.1499 -7.1499 -6.5824 -6.5824 -5.5834 -5.5834 -3.0872 -3.0872 -2.7934 -2.7934 0.1243 0.1243 0.4431 0.4431 1.5405 1.5405 1.5540 1.5540 1.8640 1.8640 2.4054 2.4054 3.0915 3.0915 3.7744 3.7744 3.8093 3.8093 5.8853 5.8853 6.0640 6.0640 7.8697 7.8697 10.8022 10.8022 11.1305 11.1305 11.6075 11.6075 12.6628 12.6628 k = 0.1447 0.0836 0.6302 ( 2424 PWs) bands (ev): -11.2574 -11.2574 -9.8507 -9.8507 -7.7893 -7.7893 -7.1914 -7.1914 -6.5865 -6.5865 -5.4744 -5.4744 -3.0940 -3.0940 -2.7440 -2.7440 0.0924 0.0924 0.4744 0.4744 1.5064 1.5064 1.5731 1.5731 1.8869 1.8869 2.4278 2.4278 3.0889 3.0889 3.7528 3.7528 3.7950 3.7950 5.8469 5.8469 6.0572 6.0572 7.8359 7.8359 10.7213 10.7213 11.1037 11.1037 11.6752 11.6752 12.7191 12.7191 k = 0.1579 0.0912 0.6302 ( 2428 PWs) bands (ev): -11.2398 -11.2398 -9.8345 -9.8345 -7.8835 -7.8835 -7.2353 -7.2353 -6.5909 -6.5909 -5.3654 -5.3654 -3.1013 -3.1013 -2.6916 -2.6916 0.0583 0.0583 0.5083 0.5083 1.4709 1.4709 1.5933 1.5933 1.9114 1.9114 2.4505 2.4505 3.0861 3.0861 3.7293 3.7293 3.7792 3.7792 5.8066 5.8066 6.0495 6.0495 7.8003 7.8003 10.6371 10.6371 11.0744 11.0744 11.7483 11.7483 12.7799 12.7799 k = 0.1711 0.0988 0.6302 ( 2432 PWs) bands (ev): -11.2206 -11.2206 -9.8170 -9.8170 -7.9766 -7.9766 -7.2815 -7.2815 -6.5955 -6.5955 -5.2567 -5.2567 -3.1089 -3.1089 -2.6365 -2.6365 0.0223 0.0223 0.5447 0.5447 1.4345 1.4345 1.6146 1.6146 1.9374 1.9374 2.4732 2.4732 3.0830 3.0830 3.7036 3.7036 3.7617 3.7617 5.7650 5.7650 6.0412 6.0412 7.7634 7.7634 10.5505 10.5505 11.0427 11.0427 11.8268 11.8268 12.8449 12.8449 k = 0.1842 0.1064 0.6302 ( 2432 PWs) bands (ev): -11.2001 -11.2001 -9.7982 -9.7982 -8.0684 -8.0684 -7.3296 -7.3296 -6.6003 -6.6003 -5.1482 -5.1482 -3.1168 -3.1168 -2.5790 -2.5790 -0.0157 -0.0157 0.5835 0.5835 1.3973 1.3973 1.6367 1.6367 1.9646 1.9646 2.4958 2.4958 3.0798 3.0798 3.6760 3.6760 3.7428 3.7428 5.7225 5.7225 6.0321 6.0321 7.7256 7.7256 10.4620 10.4620 11.0087 11.0087 11.9103 11.9103 12.9142 12.9142 k = 0.1974 0.1140 0.6302 ( 2432 PWs) bands (ev): -11.1781 -11.1781 -9.7781 -9.7781 -8.1588 -8.1588 -7.3793 -7.3793 -6.6052 -6.6052 -5.0402 -5.0402 -3.1250 -3.1250 -2.5196 -2.5196 -0.0553 -0.0553 0.6246 0.6246 1.3594 1.3594 1.6596 1.6596 1.9931 1.9931 2.5182 2.5182 3.0763 3.0763 3.6462 3.6462 3.7222 3.7222 5.6795 5.6795 6.0222 6.0222 7.6873 7.6873 10.3723 10.3723 10.9725 10.9725 11.9987 11.9987 12.9874 12.9874 k = 0.2105 0.1215 0.6302 ( 2430 PWs) bands (ev): -11.1547 -11.1547 -9.7568 -9.7568 -8.2479 -8.2479 -7.4304 -7.4304 -6.6103 -6.6103 -4.9328 -4.9328 -3.1333 -3.1333 -2.4585 -2.4585 -0.0965 -0.0965 0.6679 0.6679 1.3210 1.3210 1.6833 1.6833 2.0224 2.0224 2.5405 2.5405 3.0726 3.0726 3.6147 3.6147 3.6999 3.6999 5.6363 5.6363 6.0116 6.0116 7.6487 7.6487 10.2821 10.2821 10.9343 10.9343 12.0918 12.0918 13.0645 13.0645 k = 0.2237 0.1291 0.6302 ( 2418 PWs) bands (ev): -11.1301 -11.1301 -9.7344 -9.7344 -8.3355 -8.3355 -7.4826 -7.4826 -6.6154 -6.6154 -4.8261 -4.8261 -3.1417 -3.1417 -2.3961 -2.3961 -0.1391 -0.1391 0.7132 0.7132 1.2822 1.2822 1.7077 1.7077 2.0526 2.0526 2.5625 2.5625 3.0688 3.0688 3.5811 3.5811 3.6761 3.6761 5.5935 5.5935 6.0003 6.0003 7.6104 7.6104 10.1920 10.1920 10.8944 10.8944 12.1894 12.1894 13.1452 13.1452 k = 0.2368 0.1367 0.6302 ( 2414 PWs) bands (ev): -11.1041 -11.1041 -9.7108 -9.7108 -8.4217 -8.4217 -7.5358 -7.5358 -6.6206 -6.6206 -4.7204 -4.7204 -3.1502 -3.1502 -2.3327 -2.3327 -0.1830 -0.1830 0.7603 0.7603 1.2430 1.2430 1.7327 1.7327 2.0834 2.0834 2.5841 2.5841 3.0646 3.0646 3.5457 3.5457 3.6505 3.6505 5.5511 5.5511 5.9884 5.9884 7.5724 7.5724 10.1024 10.1024 10.8529 10.8529 12.2911 12.2911 13.2294 13.2294 k = 0.2500 0.1443 0.6302 ( 2410 PWs) bands (ev): -11.0769 -11.0769 -9.6861 -9.6861 -8.5062 -8.5062 -7.5896 -7.5896 -6.6258 -6.6258 -4.6158 -4.6158 -3.1587 -3.1587 -2.2687 -2.2687 -0.2281 -0.2281 0.8090 0.8090 1.2036 1.2036 1.7583 1.7583 2.1145 2.1145 2.6054 2.6054 3.0602 3.0602 3.5086 3.5086 3.6234 3.6234 5.5097 5.5097 5.9758 5.9758 7.5352 7.5352 10.0140 10.0140 10.8101 10.8101 12.3968 12.3968 13.3167 13.3167 k = 0.2632 0.1519 0.6302 ( 2398 PWs) bands (ev): -11.0486 -11.0486 -9.6604 -9.6604 -8.5890 -8.5890 -7.6437 -7.6437 -6.6310 -6.6310 -4.5126 -4.5126 -3.1672 -3.1672 -2.2044 -2.2044 -0.2741 -0.2741 0.8593 0.8593 1.1642 1.1642 1.7844 1.7844 2.1459 2.1459 2.6263 2.6263 3.0557 3.0557 3.4700 3.4700 3.5946 3.5946 5.4694 5.4694 5.9628 5.9628 7.4992 7.4992 9.9272 9.9272 10.7665 10.7665 12.5063 12.5063 13.4070 13.4070 k = 0.2763 0.1595 0.6302 ( 2394 PWs) bands (ev): -11.0191 -11.0191 -9.6337 -9.6337 -8.6701 -8.6701 -7.6981 -7.6981 -6.6361 -6.6361 -4.4109 -4.4109 -3.1755 -3.1755 -2.1402 -2.1402 -0.3210 -0.3210 0.9107 0.9107 1.1249 1.1249 1.8110 1.8110 2.1771 2.1771 2.6467 2.6467 3.0509 3.0509 3.4301 3.4301 3.5642 3.5642 5.4305 5.4305 5.9494 5.9494 7.4642 7.4642 9.8424 9.8424 10.7222 10.7222 12.6192 12.6192 13.5001 13.5001 k = 0.2895 0.1671 0.6302 ( 2394 PWs) bands (ev): -10.9887 -10.9887 -9.6062 -9.6062 -8.7494 -8.7494 -7.7524 -7.7524 -6.6412 -6.6412 -4.3112 -4.3112 -3.1836 -3.1836 -2.0764 -2.0764 -0.3686 -0.3686 0.9632 0.9632 1.0857 1.0857 1.8380 1.8380 2.2081 2.2081 2.6666 2.6666 3.0459 3.0459 3.3888 3.3888 3.5324 3.5324 5.3932 5.3932 5.9355 5.9355 7.4308 7.4308 9.7601 9.7601 10.6777 10.6777 12.7352 12.7352 13.5906 13.5906 k = 0.3026 0.1747 0.6302 ( 2394 PWs) bands (ev): -10.9573 -10.9573 -9.5779 -9.5779 -8.8266 -8.8266 -7.8065 -7.8065 -6.6461 -6.6461 -4.2135 -4.2135 -3.1916 -3.1916 -2.0134 -2.0134 -0.4166 -0.4166 1.0163 1.0163 1.0469 1.0469 1.8655 1.8655 2.2386 2.2386 2.6861 2.6861 3.0407 3.0407 3.3466 3.3466 3.4992 3.4992 5.3577 5.3577 5.9214 5.9214 7.3991 7.3991 9.6807 9.6807 10.6334 10.6334 12.8540 12.8540 13.5559 13.5559 k = 0.3158 0.1823 0.6302 ( 2396 PWs) bands (ev): -10.9252 -10.9252 -9.5490 -9.5490 -8.9018 -8.9018 -7.8600 -7.8600 -6.6509 -6.6509 -4.1183 -4.1183 -3.1992 -3.1992 -1.9515 -1.9515 -0.4648 -0.4648 1.0086 1.0086 1.0700 1.0700 1.8931 1.8931 2.2684 2.2684 2.7050 2.7050 3.0352 3.0352 3.3037 3.3037 3.4648 3.4648 5.3241 5.3241 5.9072 5.9072 7.3692 7.3692 9.6046 9.6046 10.5896 10.5896 12.9754 12.9754 13.5243 13.5243 k = 0.3289 0.1899 0.6302 ( 2388 PWs) bands (ev): -10.8924 -10.8924 -9.5195 -9.5195 -8.9746 -8.9746 -7.9128 -7.9128 -6.6555 -6.6555 -4.0260 -4.0260 -3.2066 -3.2066 -1.8912 -1.8912 -0.5129 -0.5129 0.9711 0.9711 1.1238 1.1238 1.9211 1.9211 2.2974 2.2974 2.7234 2.7234 3.0295 3.0295 3.2603 3.2603 3.4295 3.4295 5.2927 5.2927 5.8931 5.8931 7.3413 7.3413 9.5321 9.5321 10.5467 10.5467 13.0989 13.0989 13.4958 13.4958 k = 0.3421 0.1975 0.6302 ( 2392 PWs) bands (ev): -10.8592 -10.8592 -9.4898 -9.4898 -9.0450 -9.0450 -7.9646 -7.9646 -6.6599 -6.6599 -3.9368 -3.9368 -3.2136 -3.2136 -1.8327 -1.8327 -0.5607 -0.5607 0.9345 0.9345 1.1773 1.1773 1.9491 1.9491 2.3253 2.3253 2.7412 2.7412 3.0236 3.0236 3.2168 3.2168 3.3933 3.3933 5.2633 5.2633 5.8791 5.8791 7.3153 7.3153 9.4636 9.4636 10.5051 10.5051 13.2240 13.2240 13.4701 13.4701 k = 0.3553 0.2051 0.6302 ( 2396 PWs) bands (ev): -10.8257 -10.8257 -9.4599 -9.4599 -9.1127 -9.1127 -8.0150 -8.0150 -6.6640 -6.6640 -3.8513 -3.8513 -3.2201 -3.2201 -1.7765 -1.7765 -0.6077 -0.6077 0.8991 0.8991 1.2301 1.2301 1.9772 1.9772 2.3518 2.3518 2.7584 2.7584 3.0175 3.0175 3.1734 3.1734 3.3567 3.3567 5.2361 5.2361 5.8655 5.8655 7.2915 7.2915 9.3993 9.3993 10.4652 10.4652 13.3503 13.3503 13.4472 13.4472 k = 0.3684 0.2127 0.6302 ( 2388 PWs) bands (ev): -10.7922 -10.7922 -9.4300 -9.4300 -9.1774 -9.1774 -8.0637 -8.0637 -6.6679 -6.6679 -3.7699 -3.7699 -3.2263 -3.2263 -1.7229 -1.7229 -0.6534 -0.6534 0.8652 0.8652 1.2819 1.2819 2.0053 2.0053 2.3769 2.3769 2.7751 2.7751 3.0112 3.0112 3.1306 3.1306 3.3202 3.3202 5.2114 5.2114 5.8525 5.8525 7.2698 7.2698 9.3397 9.3397 10.4275 10.4275 13.4269 13.4269 13.4771 13.4771 k = 0.3816 0.2203 0.6302 ( 2388 PWs) bands (ev): -10.7592 -10.7592 -9.4006 -9.4006 -9.2388 -9.2388 -8.1106 -8.1106 -6.6714 -6.6714 -3.6934 -3.6934 -3.2319 -3.2319 -1.6726 -1.6726 -0.6976 -0.6976 0.8331 0.8331 1.3320 1.3320 2.0329 2.0329 2.4002 2.4002 2.7910 2.7910 3.0045 3.0045 3.0888 3.0888 3.2840 3.2840 5.1888 5.1888 5.8402 5.8402 7.2503 7.2503 9.2848 9.2848 10.3921 10.3921 13.4090 13.4090 13.6036 13.6036 k = 0.3947 0.2279 0.6302 ( 2380 PWs) bands (ev): -10.7269 -10.7269 -9.3719 -9.3719 -9.2965 -9.2965 -8.1549 -8.1549 -6.6746 -6.6746 -3.6220 -3.6220 -3.2371 -3.2371 -1.6258 -1.6258 -0.7396 -0.7396 0.8030 0.8030 1.3800 1.3800 2.0599 2.0599 2.4217 2.4217 2.8063 2.8063 2.9977 2.9977 3.0485 3.0485 3.2487 3.2487 5.1687 5.1687 5.8287 5.8287 7.2330 7.2330 9.2351 9.2351 10.3596 10.3596 13.3934 13.3934 13.7288 13.7288 k = 0.4079 0.2355 0.6302 ( 2380 PWs) bands (ev): -10.6958 -10.6958 -9.3500 -9.3500 -9.3444 -9.3444 -8.1964 -8.1964 -6.6775 -6.6775 -3.5567 -3.5567 -3.2417 -3.2417 -1.5831 -1.5831 -0.7790 -0.7790 0.7752 0.7752 1.4250 1.4250 2.0860 2.0860 2.4411 2.4411 2.8208 2.8208 2.9907 2.9907 3.0102 3.0102 3.2149 3.2149 5.1508 5.1508 5.8182 5.8182 7.2178 7.2178 9.1907 9.1907 10.3300 10.3300 13.3800 13.3800 13.8514 13.8514 k = 0.4211 0.2431 0.6302 ( 2384 PWs) bands (ev): -10.6665 -10.6665 -9.3987 -9.3987 -9.3186 -9.3186 -8.2344 -8.2344 -6.6801 -6.6801 -3.4981 -3.4981 -3.2457 -3.2457 -1.5450 -1.5450 -0.8149 -0.8149 0.7502 0.7502 1.4663 1.4663 2.1107 2.1107 2.4582 2.4582 2.8345 2.8345 2.9743 2.9743 2.9836 2.9836 3.1832 3.1832 5.1354 5.1354 5.8088 5.8088 7.2046 7.2046 9.1517 9.1517 10.3038 10.3038 13.3686 13.3686 13.9697 13.9697 k = 0.4342 0.2507 0.6302 ( 2384 PWs) bands (ev): -10.6397 -10.6397 -9.4419 -9.4419 -9.2951 -9.2951 -8.2684 -8.2684 -6.6823 -6.6823 -3.4468 -3.4468 -3.2492 -3.2492 -1.5117 -1.5117 -0.8469 -0.8469 0.7283 0.7283 1.5032 1.5032 2.1335 2.1335 2.4729 2.4729 2.8474 2.8474 2.9419 2.9419 2.9764 2.9764 3.1546 3.1546 5.1224 5.1224 5.8007 5.8007 7.1935 7.1935 9.1185 9.1185 10.2812 10.2812 13.3591 13.3591 14.0816 14.0816 k = 0.4474 0.2583 0.6302 ( 2380 PWs) bands (ev): -10.6161 -10.6161 -9.4790 -9.4790 -9.2744 -9.2744 -8.2976 -8.2976 -6.6842 -6.6842 -3.4037 -3.4037 -3.2521 -3.2521 -1.4838 -1.4838 -0.8742 -0.8742 0.7099 0.7099 1.5349 1.5349 2.1538 2.1538 2.4852 2.4852 2.8591 2.8591 2.9136 2.9136 2.9693 2.9693 3.1296 3.1296 5.1117 5.1117 5.7939 5.7939 7.1845 7.1845 9.0911 9.0911 10.2624 10.2624 13.3516 13.3516 14.1839 14.1839 k = 0.4605 0.2659 0.6302 ( 2380 PWs) bands (ev): -10.5966 -10.5966 -9.5089 -9.5089 -9.2573 -9.2573 -8.3213 -8.3213 -6.6856 -6.6856 -3.3693 -3.3693 -3.2543 -3.2543 -1.4617 -1.4617 -0.8962 -0.8962 0.6951 0.6951 1.5607 1.5607 2.1707 2.1707 2.4948 2.4948 2.8695 2.8695 2.8903 2.8903 2.9625 2.9625 3.1092 3.1092 5.1034 5.1034 5.7885 5.7885 7.1776 7.1776 9.0696 9.0696 10.2476 10.2476 13.3457 13.3457 14.2726 14.2726 k = 0.4737 0.2735 0.6302 ( 2376 PWs) bands (ev): -10.5819 -10.5819 -9.5311 -9.5311 -9.2445 -9.2445 -8.3389 -8.3389 -6.6866 -6.6866 -3.3442 -3.3442 -3.2559 -3.2559 -1.4456 -1.4456 -0.9124 -0.9124 0.6844 0.6844 1.5796 1.5796 2.1836 2.1836 2.5018 2.5018 2.8728 2.8728 2.8780 2.8780 2.9567 2.9567 3.0941 3.0941 5.0975 5.0975 5.7847 5.7847 7.1726 7.1726 9.0542 9.0542 10.2370 10.2370 13.3417 13.3417 14.3424 14.3424 k = 0.4868 0.2811 0.6302 ( 2378 PWs) bands (ev): -10.5728 -10.5728 -9.5447 -9.5447 -9.2366 -9.2366 -8.3497 -8.3497 -6.6872 -6.6872 -3.3290 -3.3290 -3.2569 -3.2569 -1.4359 -1.4359 -0.9222 -0.9222 0.6778 0.6778 1.5913 1.5913 2.1916 2.1916 2.5060 2.5060 2.8619 2.8619 2.8838 2.8838 2.9524 2.9524 3.0847 3.0847 5.0939 5.0939 5.7823 5.7823 7.1697 7.1697 9.0450 9.0450 10.2305 10.2305 13.3392 13.3392 14.3876 14.3876 k = 0.5000 0.2887 0.6302 ( 2380 PWs) bands (ev): -10.5697 -10.5697 -9.5493 -9.5493 -9.2339 -9.2339 -8.3534 -8.3534 -6.6874 -6.6874 -3.3239 -3.3239 -3.2572 -3.2572 -1.4327 -1.4327 -0.9256 -0.9256 0.6757 0.6757 1.5952 1.5952 2.1943 2.1943 2.5073 2.5073 2.8582 2.8582 2.8858 2.8858 2.9508 2.9508 3.0816 3.0816 5.0927 5.0927 5.7815 5.7815 7.1687 7.1687 9.0418 9.0418 10.2284 10.2284 13.3384 13.3384 14.4033 14.4033 k = 0.5000 0.2887 0.6302 ( 2380 PWs) bands (ev): -10.5697 -10.5697 -9.5493 -9.5493 -9.2339 -9.2339 -8.3534 -8.3534 -6.6874 -6.6874 -3.3239 -3.3239 -3.2572 -3.2572 -1.4327 -1.4327 -0.9256 -0.9256 0.6757 0.6757 1.5952 1.5952 2.1943 2.1943 2.5073 2.5073 2.8582 2.8582 2.8858 2.8858 2.9508 2.9508 3.0816 3.0816 5.0927 5.0927 5.7815 5.7815 7.1687 7.1687 9.0418 9.0418 10.2284 10.2284 13.3384 13.3384 14.4033 14.4033 k = 0.4924 0.3018 0.6302 ( 2380 PWs) bands (ev): -10.5688 -10.5688 -9.5506 -9.5506 -9.2330 -9.2330 -8.3545 -8.3545 -6.6879 -6.6879 -3.3207 -3.3207 -3.2580 -3.2580 -1.4296 -1.4296 -0.9290 -0.9290 0.6726 0.6726 1.5977 1.5977 2.1947 2.1947 2.5091 2.5091 2.8579 2.8579 2.8859 2.8859 2.9508 2.9508 3.0802 3.0802 5.0936 5.0936 5.7821 5.7821 7.1654 7.1654 9.0385 9.0385 10.2331 10.2331 13.3272 13.3272 14.4071 14.4071 k = 0.4848 0.3149 0.6302 ( 2376 PWs) bands (ev): -10.5658 -10.5658 -9.5547 -9.5547 -9.2304 -9.2304 -8.3579 -8.3579 -6.6894 -6.6894 -3.3112 -3.3112 -3.2605 -3.2605 -1.4203 -1.4203 -0.9392 -0.9392 0.6633 0.6633 1.6049 1.6049 2.1960 2.1960 2.5142 2.5142 2.8569 2.8569 2.8862 2.8862 2.9505 2.9505 3.0761 3.0761 5.0962 5.0962 5.7840 5.7840 7.1556 7.1556 9.0287 9.0287 10.2472 10.2472 13.2947 13.2947 14.4186 14.4186 k = 0.4773 0.3280 0.6302 ( 2376 PWs) bands (ev): -10.5610 -10.5610 -9.5615 -9.5615 -9.2261 -9.2261 -8.3637 -8.3637 -6.6918 -6.6918 -3.2955 -3.2955 -3.2646 -3.2646 -1.4050 -1.4050 -0.9560 -0.9560 0.6480 0.6480 1.6168 1.6168 2.1981 2.1981 2.5227 2.5227 2.8553 2.8553 2.8866 2.8866 2.9501 2.9501 3.0694 3.0694 5.1005 5.1005 5.7872 5.7872 7.1394 7.1394 9.0129 9.0129 10.2700 10.2700 13.2434 13.2434 14.4375 14.4375 k = 0.4697 0.3412 0.6302 ( 2376 PWs) bands (ev): -10.5542 -10.5542 -9.5709 -9.5709 -9.2200 -9.2200 -8.3716 -8.3716 -6.6951 -6.6951 -3.2736 -3.2736 -3.2701 -3.2701 -1.3838 -1.3838 -0.9792 -0.9792 0.6269 0.6269 1.6331 1.6331 2.2009 2.2009 2.5341 2.5341 2.8529 2.8529 2.8871 2.8871 2.9495 2.9495 3.0601 3.0601 5.1062 5.1062 5.7917 5.7917 7.1170 7.1170 8.9919 8.9919 10.3009 10.3009 13.1764 13.1764 14.4637 14.4637 k = 0.4621 0.3543 0.6302 ( 2384 PWs) bands (ev): -10.5455 -10.5455 -9.5830 -9.5830 -9.2123 -9.2123 -8.3819 -8.3819 -6.6992 -6.6992 -3.2769 -3.2769 -3.2457 -3.2457 -1.3570 -1.3570 -1.0086 -1.0086 0.6003 0.6003 1.6536 1.6536 2.2046 2.2046 2.5482 2.5482 2.8498 2.8498 2.8877 2.8877 2.9487 2.9487 3.0483 3.0483 5.1132 5.1132 5.7977 5.7977 7.0888 7.0888 8.9666 8.9666 10.3388 10.3388 13.0971 13.0971 14.4970 14.4970 k = 0.4545 0.3674 0.6302 ( 2392 PWs) bands (ev): -10.5348 -10.5348 -9.5976 -9.5976 -9.2028 -9.2028 -8.3942 -8.3942 -6.7040 -6.7040 -3.2848 -3.2848 -3.2121 -3.2121 -1.3248 -1.3248 -1.0438 -1.0438 0.5685 0.5685 1.6778 1.6778 2.2091 2.2091 2.5647 2.5647 2.8459 2.8459 2.8884 2.8884 2.9477 2.9477 3.0342 3.0342 5.1212 5.1212 5.8053 5.8053 7.0551 7.0551 8.9381 8.9381 10.3828 10.3828 13.0086 13.0086 14.5371 14.5371 k = 0.4470 0.3805 0.6302 ( 2392 PWs) bands (ev): -10.5223 -10.5223 -9.6148 -9.6148 -9.1916 -9.1916 -8.4087 -8.4087 -6.7092 -6.7092 -3.2934 -3.2934 -3.1729 -3.1729 -1.2877 -1.2877 -1.0845 -1.0845 0.5320 0.5320 1.7054 1.7054 2.2144 2.2144 2.5831 2.5831 2.8411 2.8411 2.8893 2.8893 2.9466 2.9466 3.0180 3.0180 5.1301 5.1301 5.8146 5.8146 7.0164 7.0164 8.9073 8.9073 10.4322 10.4322 12.9133 12.9133 14.5836 14.5836 k = 0.4394 0.3936 0.6302 ( 2388 PWs) bands (ev): -10.5077 -10.5077 -9.6344 -9.6344 -9.1787 -9.1787 -8.4253 -8.4253 -6.7148 -6.7148 -3.3026 -3.3026 -3.1284 -3.1284 -1.2459 -1.2459 -1.1303 -1.1303 0.4912 0.4912 1.7360 1.7360 2.2206 2.2206 2.6031 2.6031 2.8355 2.8355 2.8902 2.8902 2.9453 2.9453 2.9999 2.9999 5.1394 5.1394 5.8260 5.8260 6.9733 6.9733 8.8751 8.8751 10.4860 10.4860 12.8132 12.8132 14.6362 14.6362 k = 0.4318 0.4068 0.6302 ( 2386 PWs) bands (ev): -10.4913 -10.4913 -9.6563 -9.6563 -9.1641 -9.1641 -8.4438 -8.4438 -6.7208 -6.7208 -3.3122 -3.3122 -3.0789 -3.0789 -1.1998 -1.1998 -1.1807 -1.1807 0.4463 0.4463 1.7691 1.7691 2.2276 2.2276 2.6241 2.6241 2.8289 2.8289 2.8912 2.8912 2.9438 2.9438 2.9801 2.9801 5.1489 5.1489 5.8394 5.8394 6.9262 6.9262 8.8422 8.8422 10.5435 10.5435 12.7100 12.7100 14.6945 14.6945 k = 0.4242 0.4199 0.6302 ( 2382 PWs) bands (ev): -10.4729 -10.4729 -9.6805 -9.6805 -9.1478 -9.1478 -8.4642 -8.4642 -6.7268 -6.7268 -3.3218 -3.3218 -3.0247 -3.0247 -1.2354 -1.2354 -1.1497 -1.1497 0.3978 0.3978 1.8042 1.8042 2.2353 2.2353 2.6459 2.6459 2.8213 2.8213 2.8922 2.8922 2.9422 2.9422 2.9589 2.9589 5.1584 5.1584 5.8551 5.8551 6.8760 6.8760 8.8092 8.8092 10.6043 10.6043 12.6048 12.6048 14.7580 14.7580 k = 0.4167 0.4330 0.6302 ( 2374 PWs) bands (ev): -10.4526 -10.4526 -9.7068 -9.7068 -9.1298 -9.1298 -8.4865 -8.4865 -6.7329 -6.7329 -3.3314 -3.3314 -2.9661 -2.9661 -1.2942 -1.2942 -1.0961 -1.0961 0.3460 0.3460 1.8409 1.8409 2.2439 2.2439 2.6680 2.6680 2.8126 2.8126 2.8933 2.8933 2.9365 2.9365 2.9403 2.9403 5.1674 5.1674 5.8731 5.8731 6.8229 6.8229 8.7769 8.7769 10.6678 10.6678 12.4989 12.4989 14.8263 14.8263 k = 0.4091 0.4461 0.6302 ( 2378 PWs) bands (ev): -10.4304 -10.4304 -9.7352 -9.7352 -9.1101 -9.1101 -8.5106 -8.5106 -6.7388 -6.7388 -3.3407 -3.3407 -2.9035 -2.9035 -1.3565 -1.3565 -1.0393 -1.0393 0.2912 0.2912 1.8785 1.8785 2.2531 2.2531 2.6901 2.6901 2.8028 2.8028 2.8942 2.8942 2.9130 2.9130 2.9382 2.9382 5.1758 5.1758 5.8935 5.8935 6.7677 6.7677 8.7456 8.7456 10.7334 10.7334 12.3928 12.3928 14.8989 14.8989 k = 0.4015 0.4593 0.6302 ( 2382 PWs) bands (ev): -10.4063 -10.4063 -9.7656 -9.7656 -9.0889 -9.0889 -8.5363 -8.5363 -6.7445 -6.7445 -3.3495 -3.3495 -2.8371 -2.8371 -1.4222 -1.4222 -0.9797 -0.9797 0.2338 0.2338 1.9168 1.9168 2.2630 2.2630 2.7118 2.7118 2.7920 2.7920 2.8888 2.8888 2.8949 2.8949 2.9358 2.9358 5.1834 5.1834 5.9164 5.9164 6.7111 6.7111 8.7159 8.7159 10.8008 10.8008 12.2876 12.2876 14.9754 14.9754 k = 0.3939 0.4724 0.6302 ( 2386 PWs) bands (ev): -10.3802 -10.3802 -9.7977 -9.7977 -9.0659 -9.0659 -8.5635 -8.5635 -6.7499 -6.7499 -3.3578 -3.3578 -2.7674 -2.7674 -1.4910 -1.4910 -0.9175 -0.9175 0.1740 0.1740 1.9550 1.9550 2.2735 2.2735 2.7329 2.7329 2.7803 2.7803 2.8642 2.8642 2.8955 2.8955 2.9332 2.9332 5.1901 5.1901 5.9420 5.9420 6.6537 6.6537 8.6881 8.6881 10.8698 10.8698 12.1837 12.1837 15.0552 15.0552 k = 0.3864 0.4855 0.6302 ( 2384 PWs) bands (ev): -10.3523 -10.3523 -9.8315 -9.8315 -9.0413 -9.0413 -8.5922 -8.5922 -6.7548 -6.7548 -3.3653 -3.3653 -2.6945 -2.6945 -1.5625 -1.5625 -0.8531 -0.8531 0.1121 0.1121 1.9926 1.9926 2.2844 2.2844 2.7531 2.7531 2.7678 2.7678 2.8396 2.8396 2.8960 2.8960 2.9305 2.9305 5.1958 5.1958 5.9702 5.9702 6.5960 6.5960 8.6626 8.6626 10.9402 10.9402 12.0818 12.0818 15.1380 15.1380 k = 0.3788 0.4986 0.6302 ( 2384 PWs) bands (ev): -10.3224 -10.3224 -9.8668 -9.8668 -9.0151 -9.0151 -8.6223 -8.6223 -6.7591 -6.7591 -3.3719 -3.3719 -2.6188 -2.6188 -1.6365 -1.6365 -0.7868 -0.7868 0.0483 0.0483 2.0290 2.0290 2.2956 2.2956 2.7548 2.7548 2.7723 2.7723 2.8153 2.8153 2.8962 2.8962 2.9274 2.9274 5.2005 5.2005 6.0008 6.0008 6.5388 6.5388 8.6397 8.6397 11.0116 11.0116 11.9823 11.9823 15.2232 15.2232 k = 0.3712 0.5117 0.6302 ( 2384 PWs) bands (ev): -10.2907 -10.2907 -9.9036 -9.9036 -8.9873 -8.9873 -8.6536 -8.6536 -6.7629 -6.7629 -3.3777 -3.3777 -2.5406 -2.5406 -1.7128 -1.7128 -0.7190 -0.7190 -0.0172 -0.0172 2.0632 2.0632 2.3066 2.3066 2.7420 2.7420 2.7895 2.7895 2.7924 2.7924 2.8961 2.8961 2.9240 2.9240 5.2042 5.2042 6.0338 6.0338 6.4824 6.4824 8.6197 8.6197 11.0840 11.0840 11.8857 11.8857 15.3104 15.3104 k = 0.3636 0.5249 0.6302 ( 2392 PWs) bands (ev): -10.2571 -10.2571 -9.9416 -9.9416 -8.9579 -8.9579 -8.6861 -8.6861 -6.7661 -6.7661 -3.3824 -3.3824 -2.4604 -2.4604 -1.7913 -1.7913 -0.6498 -0.6498 -0.0843 -0.0843 2.0942 2.0942 2.3173 2.3173 2.7299 2.7299 2.7696 2.7696 2.8060 2.8060 2.8960 2.8960 2.9203 2.9203 5.2070 5.2070 6.0691 6.0691 6.4274 6.4274 8.6028 8.6028 11.1572 11.1572 11.7921 11.7921 15.3990 15.3990 k = 0.3561 0.5380 0.6302 ( 2392 PWs) bands (ev): -10.2215 -10.2215 -9.9808 -9.9808 -8.9270 -8.9270 -8.7195 -8.7195 -6.7686 -6.7686 -3.3861 -3.3861 -2.3783 -2.3783 -1.8718 -1.8718 -0.5795 -0.5795 -0.1527 -0.1527 2.1208 2.1208 2.3269 2.3269 2.7196 2.7196 2.7496 2.7496 2.8197 2.8197 2.8959 2.8959 2.9164 2.9164 5.2089 5.2089 6.1066 6.1066 6.3743 6.3743 8.5893 8.5893 11.2311 11.2311 11.7021 11.7021 15.4887 15.4887 k = 0.3485 0.5511 0.6302 ( 2384 PWs) bands (ev): -10.1841 -10.1841 -10.0209 -10.0209 -8.8945 -8.8945 -8.7539 -8.7539 -6.7703 -6.7703 -3.3888 -3.3888 -2.2946 -2.2946 -1.9541 -1.9541 -0.5084 -0.5084 -0.2223 -0.2223 2.1417 2.1417 2.3349 2.3349 2.7121 2.7121 2.7325 2.7325 2.8307 2.8307 2.8965 2.8965 2.9121 2.9121 5.2101 5.2101 6.1460 6.1460 6.3236 6.3236 8.5795 8.5795 11.3057 11.3057 11.6160 11.6160 15.5789 15.5789 k = 0.3409 0.5642 0.6302 ( 2388 PWs) bands (ev): -10.1448 -10.1448 -10.0619 -10.0619 -8.8605 -8.8605 -8.7891 -8.7891 -6.7714 -6.7714 -3.3904 -3.3904 -2.2096 -2.2096 -2.0380 -2.0380 -0.4368 -0.4368 -0.2930 -0.2930 2.1551 2.1551 2.3403 2.3403 2.7088 2.7088 2.7193 2.7193 2.8378 2.8378 2.8984 2.8984 2.9075 2.9075 5.2107 5.2107 6.1872 6.1872 6.2754 6.2754 8.5735 8.5735 11.3807 11.3807 11.5339 11.5339 15.6688 15.6688 k = 0.3333 0.5774 0.6302 ( 2388 PWs) bands (ev): -10.1037 -10.1037 -10.1036 -10.1036 -8.8251 -8.8251 -8.8250 -8.8250 -6.7717 -6.7717 -3.3910 -3.3910 -2.1238 -2.1238 -2.1234 -2.1234 -0.3658 -0.3658 -0.3636 -0.3636 2.1598 2.1598 2.3424 2.3424 2.7109 2.7109 2.7114 2.7114 2.8403 2.8403 2.9025 2.9025 2.9025 2.9025 5.2109 5.2109 6.2286 6.2286 6.2317 6.2317 8.5714 8.5714 11.4549 11.4549 11.4573 11.4573 15.7563 15.7563 k = 0.3333 0.5774 0.6302 ( 2388 PWs) bands (ev): -10.1037 -10.1037 -10.1036 -10.1036 -8.8251 -8.8251 -8.8250 -8.8250 -6.7717 -6.7717 -3.3910 -3.3910 -2.1238 -2.1238 -2.1234 -2.1234 -0.3658 -0.3658 -0.3636 -0.3636 2.1598 2.1598 2.3424 2.3424 2.7109 2.7109 2.7114 2.7114 2.8403 2.8403 2.9025 2.9025 2.9025 2.9025 5.2109 5.2109 6.2286 6.2286 6.2317 6.2317 8.5714 8.5714 11.4549 11.4549 11.4573 11.4573 15.7563 15.7595 k = 0.3256 0.5639 0.6302 ( 2384 PWs) bands (ev): -10.1470 -10.1470 -10.0596 -10.0596 -8.8624 -8.8624 -8.7872 -8.7872 -6.7714 -6.7714 -3.3904 -3.3904 -2.2127 -2.2127 -2.0350 -2.0350 -0.4390 -0.4390 -0.2909 -0.2909 2.1547 2.1547 2.3400 2.3400 2.7089 2.7089 2.7201 2.7201 2.8379 2.8379 2.8970 2.8970 2.9089 2.9089 5.2108 5.2108 6.1871 6.1871 6.2756 6.2756 8.5736 8.5736 11.3811 11.3811 11.5336 11.5336 15.6591 15.6591 k = 0.3178 0.5505 0.6302 ( 2390 PWs) bands (ev): -10.1909 -10.1909 -10.0137 -10.0137 -8.9003 -8.9003 -8.7479 -8.7479 -6.7703 -6.7703 -3.3888 -3.3888 -2.3034 -2.3034 -1.9459 -1.9459 -0.5141 -0.5141 -0.2170 -0.2170 2.1394 2.1394 2.3328 2.3328 2.7132 2.7132 2.7357 2.7357 2.8312 2.8312 2.8910 2.8910 2.9165 2.9165 5.2105 5.2105 6.1477 6.1477 6.3224 6.3224 8.5803 8.5803 11.3110 11.3110 11.6115 11.6115 15.5456 15.5456 k = 0.3101 0.5371 0.6302 ( 2394 PWs) bands (ev): -10.2350 -10.2350 -9.9658 -9.9658 -8.9385 -8.9385 -8.7071 -8.7071 -6.7685 -6.7685 -3.3860 -3.3860 -2.3953 -2.3953 -1.8567 -1.8567 -0.5898 -0.5898 -0.1435 -0.1435 2.1145 2.1145 2.3210 2.3210 2.7241 2.7241 2.7575 2.7575 2.8211 2.8211 2.8845 2.8845 2.9248 2.9248 5.2103 5.2103 6.1119 6.1119 6.3704 6.3704 8.5917 8.5917 11.2458 11.2458 11.6896 11.6896 15.4203 15.4203 k = 0.3023 0.5236 0.6302 ( 2394 PWs) bands (ev): -10.2795 -10.2795 -9.9160 -9.9160 -8.9771 -8.9771 -8.6649 -8.6649 -6.7660 -6.7660 -3.3823 -3.3823 -2.4885 -2.4885 -1.7675 -1.7675 -0.6663 -0.6663 -0.0704 -0.0704 2.0809 2.0809 2.3049 2.3049 2.7412 2.7412 2.7844 2.7844 2.8080 2.8080 2.8775 2.8775 2.9332 2.9332 5.2102 5.2102 6.0798 6.0798 6.4196 6.4196 8.6078 8.6078 11.1858 11.1858 11.7680 11.7680 15.2858 15.2858 k = 0.2946 0.5102 0.6302 ( 2396 PWs) bands (ev): -10.3240 -10.3240 -9.8644 -9.8644 -9.0158 -9.0158 -8.6213 -8.6213 -6.7629 -6.7629 -3.3775 -3.3775 -2.5829 -2.5829 -1.6786 -1.6786 -0.7432 -0.7432 0.0022 0.0022 2.0401 2.0401 2.2854 2.2854 2.7638 2.7638 2.7920 2.7920 2.8156 2.8156 2.8701 2.8701 2.9415 2.9415 5.2106 5.2106 6.0514 6.0514 6.4697 6.4697 8.6288 8.6288 11.1309 11.1309 11.8467 11.8467 15.1444 15.1444 k = 0.2868 0.4968 0.6302 ( 2392 PWs) bands (ev): -10.3685 -10.3685 -9.8108 -9.8108 -9.0547 -9.0547 -8.5764 -8.5764 -6.7591 -6.7591 -3.3718 -3.3718 -2.6785 -2.6785 -1.5904 -1.5904 -0.8206 -0.8206 0.0740 0.0740 1.9932 1.9932 2.2631 2.2631 2.7735 2.7735 2.7912 2.7912 2.8498 2.8498 2.8621 2.8621 2.9496 2.9496 5.2116 5.2116 6.0267 6.0267 6.5206 6.5206 8.6548 8.6548 11.0812 11.0812 11.9255 11.9255 14.9982 14.9982 k = 0.2791 0.4834 0.6302 ( 2388 PWs) bands (ev): -10.4129 -10.4129 -9.7553 -9.7553 -9.0935 -9.0935 -8.5301 -8.5301 -6.7548 -6.7548 -3.3652 -3.3652 -2.7752 -2.7752 -1.5029 -1.5029 -0.8985 -0.8985 0.1449 0.1449 1.9413 1.9413 2.2388 2.2388 2.7526 2.7526 2.8226 2.8226 2.8536 2.8536 2.8863 2.8863 2.9575 2.9575 5.2133 5.2133 6.0055 6.0055 6.5723 6.5723 8.6857 8.6857 11.0367 11.0367 12.0045 12.0045 14.8485 14.8485 k = 0.2713 0.4699 0.6302 ( 2392 PWs) bands (ev): -10.4571 -10.4571 -9.6980 -9.6980 -9.1322 -9.1322 -8.4826 -8.4826 -6.7500 -6.7500 -3.3578 -3.3578 -2.8731 -2.8731 -1.4165 -1.4165 -0.9767 -0.9767 0.2148 0.2148 1.8852 1.8852 2.2130 2.2130 2.7292 2.7292 2.8445 2.8445 2.8574 2.8574 2.9244 2.9244 2.9650 2.9650 5.2158 5.2158 5.9878 5.9878 6.6246 6.6246 8.7217 8.7217 10.9973 10.9973 12.0836 12.0836 14.6965 14.6965 k = 0.2636 0.4565 0.6302 ( 2392 PWs) bands (ev): -10.5009 -10.5009 -9.6388 -9.6388 -9.1708 -9.1708 -8.4340 -8.4340 -6.7447 -6.7447 -3.3497 -3.3497 -2.9719 -2.9719 -1.3313 -1.3313 -1.0552 -1.0552 0.2836 0.2836 1.8257 1.8257 2.1860 2.1860 2.7035 2.7035 2.8348 2.8348 2.8952 2.8952 2.9635 2.9635 2.9723 2.9723 5.2195 5.2195 5.9733 5.9733 6.6774 6.6774 8.7628 8.7628 10.9629 10.9629 12.1627 12.1627 14.5434 14.5434 k = 0.2558 0.4431 0.6302 ( 2388 PWs) bands (ev): -10.5443 -10.5443 -9.5778 -9.5778 -9.2090 -9.2090 -8.3841 -8.3841 -6.7389 -6.7389 -3.3408 -3.3408 -3.0718 -3.0718 -1.2474 -1.2474 -1.1338 -1.1338 0.3513 0.3513 1.7635 1.7635 2.1583 2.1583 2.6757 2.6757 2.8244 2.8244 2.9356 2.9356 2.9794 2.9794 3.0035 3.0035 5.2244 5.2244 5.9618 5.9618 6.7307 6.7307 8.8088 8.8088 10.9336 10.9336 12.2420 12.2420 14.3899 14.3899 k = 0.2481 0.4297 0.6302 ( 2388 PWs) bands (ev): -10.5872 -10.5872 -9.5149 -9.5149 -9.2469 -9.2469 -8.3332 -8.3332 -6.7328 -6.7328 -3.3312 -3.3312 -3.1726 -3.1726 -1.2127 -1.2127 -1.1652 -1.1652 0.4176 0.4176 1.6992 1.6992 2.1301 2.1301 2.6457 2.6457 2.8134 2.8134 2.9780 2.9780 2.9862 2.9862 3.0438 3.0438 5.2307 5.2307 5.9532 5.9532 6.7843 6.7843 8.8599 8.8599 10.9091 10.9091 12.3212 12.3212 14.2367 14.2367 k = 0.2403 0.4162 0.6302 ( 2394 PWs) bands (ev): -10.6294 -10.6294 -9.4503 -9.4503 -9.2844 -9.2844 -8.2813 -8.2813 -6.7263 -6.7263 -3.3211 -3.3211 -3.2744 -3.2744 -1.2916 -1.2916 -1.0846 -1.0846 0.4827 0.4827 1.6332 1.6332 2.1017 2.1017 2.6139 2.6139 2.8017 2.8017 2.9926 2.9926 3.0223 3.0223 3.0842 3.0842 5.2385 5.2385 5.9471 5.9471 6.8380 6.8380 8.9159 8.9159 10.8893 10.8893 12.4003 12.4003 14.0843 14.0843 k = 0.2326 0.4028 0.6302 ( 2394 PWs) bands (ev): -10.6710 -10.6710 -9.3839 -9.3839 -9.3213 -9.3213 -8.2285 -8.2285 -6.7195 -6.7195 -3.3771 -3.3771 -3.3105 -3.3105 -1.3706 -1.3706 -1.0058 -1.0058 0.5463 0.5463 1.5662 1.5662 2.0730 2.0730 2.5804 2.5804 2.7893 2.7893 2.9991 2.9991 3.0680 3.0680 3.1246 3.1246 5.2482 5.2482 5.9434 5.9434 6.8918 6.8918 8.9767 8.9767 10.8741 10.8741 12.4792 12.4792 13.9333 13.9333 k = 0.2248 0.3894 0.6302 ( 2386 PWs) bands (ev): -10.7119 -10.7119 -9.3576 -9.3576 -9.3157 -9.3157 -8.1748 -8.1748 -6.7125 -6.7125 -3.4806 -3.4806 -3.2994 -3.2994 -1.4494 -1.4494 -0.9289 -0.9289 0.6086 0.6086 1.4984 1.4984 2.0442 2.0442 2.5454 2.5454 2.7763 2.7763 3.0054 3.0054 3.1148 3.1148 3.1649 3.1649 5.2598 5.2598 5.9419 5.9419 6.9458 6.9458 9.0421 9.0421 10.8632 10.8632 12.5578 12.5578 13.7840 13.7840 k = 0.2171 0.3759 0.6302 ( 2386 PWs) bands (ev): -10.7519 -10.7519 -9.3933 -9.3933 -9.2457 -9.2457 -8.1203 -8.1203 -6.7052 -6.7052 -3.5850 -3.5850 -3.2880 -3.2880 -1.5282 -1.5282 -0.8540 -0.8540 0.6695 0.6695 1.4304 1.4304 2.0154 2.0154 2.5090 2.5090 2.7625 2.7625 3.0114 3.0114 3.1623 3.1623 3.2049 3.2049 5.2734 5.2734 5.9422 5.9422 6.9998 6.9998 9.1121 9.1121 10.8564 10.8564 12.6359 12.6359 13.6368 13.6368 k = 0.2093 0.3625 0.6302 ( 2386 PWs) bands (ev): -10.7910 -10.7910 -9.4283 -9.4283 -9.1740 -9.1740 -8.0651 -8.0651 -6.6978 -6.6978 -3.6902 -3.6902 -3.2763 -3.2763 -1.6067 -1.6067 -0.7812 -0.7812 0.7288 0.7288 1.3624 1.3624 1.9867 1.9867 2.4715 2.4715 2.7481 2.7481 3.0173 3.0173 3.2102 3.2102 3.2444 3.2444 5.2894 5.2894 5.9442 5.9442 7.0536 7.0536 9.1864 9.1864 10.8535 10.8535 12.7133 12.7133 13.4920 13.4920 k = 0.2016 0.3491 0.6302 ( 2386 PWs) bands (ev): -10.8291 -10.8291 -9.4624 -9.4624 -9.1006 -9.1006 -8.0094 -8.0094 -6.6903 -6.6903 -3.7961 -3.7961 -3.2643 -3.2643 -1.6850 -1.6850 -0.7106 -0.7106 0.7868 0.7868 1.2948 1.2948 1.9582 1.9582 2.4332 2.4332 2.7329 2.7329 3.0231 3.0231 3.2581 3.2581 3.2834 3.2834 5.3077 5.3077 5.9477 5.9477 7.1072 7.1072 9.2649 9.2649 10.8544 10.8544 12.7896 12.7896 13.3499 13.3499 k = 0.1938 0.3357 0.6302 ( 2386 PWs) bands (ev): -10.8662 -10.8662 -9.4957 -9.4957 -9.0254 -9.0254 -7.9531 -7.9531 -6.6827 -6.6827 -3.9028 -3.9028 -3.2521 -3.2521 -1.7628 -1.7628 -0.6421 -0.6421 0.8433 0.8433 1.2279 1.2279 1.9298 1.9298 2.3942 2.3942 2.7170 2.7170 3.0288 3.0288 3.3056 3.3056 3.3218 3.3218 5.3285 5.3285 5.9524 5.9524 7.1606 7.1606 9.3472 9.3472 10.8587 10.8587 12.8642 12.8642 13.2108 13.2108 k = 0.1860 0.3222 0.6302 ( 2396 PWs) bands (ev): -10.9023 -10.9023 -9.5282 -9.5282 -8.9486 -8.9486 -7.8966 -7.8966 -6.6751 -6.6751 -4.0103 -4.0103 -3.2399 -3.2399 -1.8403 -1.8403 -0.5758 -0.5758 0.8984 0.8984 1.1618 1.1618 1.9017 1.9017 2.3547 2.3547 2.7005 2.7005 3.0342 3.0342 3.3524 3.3524 3.3595 3.3595 5.3519 5.3519 5.9581 5.9581 7.2135 7.2135 9.4331 9.4331 10.8660 10.8660 12.9362 12.9362 13.0749 13.0749 k = 0.1783 0.3088 0.6302 ( 2400 PWs) bands (ev): -10.9372 -10.9372 -9.5596 -9.5596 -8.8702 -8.8702 -7.8398 -7.8398 -6.6675 -6.6675 -4.1184 -4.1184 -3.2276 -3.2276 -1.9170 -1.9170 -0.5118 -0.5118 0.9521 0.9521 1.0972 1.0972 1.8739 1.8739 2.3150 2.3150 2.6832 2.6832 3.0395 3.0395 3.3964 3.3964 3.3982 3.3982 5.3779 5.3779 5.9646 5.9646 7.2660 7.2660 9.5223 9.5223 10.8763 10.8763 12.9425 12.9425 13.0044 13.0044 k = 0.1705 0.2954 0.6302 ( 2404 PWs) bands (ev): -10.9710 -10.9710 -9.5901 -9.5901 -8.7901 -8.7901 -7.7828 -7.7828 -6.6599 -6.6599 -4.2271 -4.2271 -3.2153 -3.2153 -1.9930 -1.9930 -0.4500 -0.4500 1.0044 1.0044 1.0340 1.0340 1.8464 1.8464 2.2754 2.2754 2.6652 2.6652 3.0446 3.0446 3.4326 3.4326 3.4425 3.4425 5.4065 5.4065 5.9718 5.9718 7.3181 7.3181 9.6144 9.6144 10.8892 10.8892 12.8137 12.8137 13.0661 13.0661 k = 0.1628 0.2820 0.6302 ( 2400 PWs) bands (ev): -11.0035 -11.0035 -9.6195 -9.6195 -8.7084 -8.7084 -7.7259 -7.7259 -6.6524 -6.6524 -4.3363 -4.3363 -3.2031 -3.2031 -2.0681 -2.0681 -0.3904 -0.3904 0.9725 0.9725 1.0555 1.0555 1.8193 1.8193 2.2360 2.2360 2.6467 2.6467 3.0496 3.0496 3.4678 3.4678 3.4852 3.4852 5.4378 5.4378 5.9796 5.9796 7.3696 7.3696 9.7091 9.7091 10.9044 10.9044 12.6888 12.6888 13.1174 13.1174 k = 0.1550 0.2685 0.6302 ( 2406 PWs) bands (ev): -11.0347 -11.0347 -9.6478 -9.6478 -8.6252 -8.6252 -7.6693 -7.6693 -6.6450 -6.6450 -4.4461 -4.4461 -3.1911 -3.1911 -2.1421 -2.1421 -0.3330 -0.3330 0.9129 0.9129 1.1051 1.1051 1.7925 1.7925 2.1970 2.1970 2.6274 2.6274 3.0543 3.0543 3.5020 3.5020 3.5259 3.5259 5.4714 5.4714 5.9877 5.9877 7.4203 7.4203 9.8059 9.8059 10.9217 10.9217 12.5679 12.5679 13.1518 13.1518 k = 0.1473 0.2551 0.6302 ( 2398 PWs) bands (ev): -11.0647 -11.0647 -9.6749 -9.6749 -8.5404 -8.5404 -7.6129 -7.6129 -6.6378 -6.6378 -4.5563 -4.5563 -3.1792 -3.1792 -2.2150 -2.2150 -0.2779 -0.2779 0.8554 0.8554 1.1535 1.1535 1.7662 1.7662 2.1587 2.1587 2.6076 2.6076 3.0589 3.0589 3.5352 3.5352 3.5644 3.5644 5.5074 5.5074 5.9960 5.9960 7.4703 7.4703 9.9044 9.9044 10.9407 10.9407 12.4513 12.4513 13.1620 13.1620 k = 0.1395 0.2417 0.6302 ( 2394 PWs) bands (ev): -11.0933 -11.0933 -9.7009 -9.7009 -8.4540 -8.4540 -7.5572 -7.5572 -6.6307 -6.6307 -4.6670 -4.6670 -3.1676 -3.1676 -2.2864 -2.2864 -0.2249 -0.2249 0.8001 0.8001 1.2007 1.2007 1.7404 1.7404 2.1212 2.1212 2.5871 2.5871 3.0634 3.0634 3.5672 3.5672 3.6007 3.6007 5.5454 5.5454 6.0045 6.0045 7.5193 7.5193 10.0041 10.0041 10.9611 10.9611 12.3391 12.3391 13.1443 13.1443 k = 0.1318 0.2283 0.6302 ( 2398 PWs) bands (ev): -11.1205 -11.1205 -9.7256 -9.7256 -8.3662 -8.3662 -7.5022 -7.5022 -6.6238 -6.6238 -4.7780 -4.7780 -3.1563 -3.1563 -2.3564 -2.3564 -0.1743 -0.1743 0.7472 0.7472 1.2465 1.2465 1.7150 1.7150 2.0848 2.0848 2.5662 2.5662 3.0675 3.0675 3.5981 3.5981 3.6345 3.6345 5.5852 5.5852 6.0129 6.0129 7.5673 7.5673 10.1045 10.1045 10.9826 10.9826 12.2315 12.2315 13.1033 13.1033 k = 0.1240 0.2148 0.6302 ( 2398 PWs) bands (ev): -11.1463 -11.1463 -9.7492 -9.7492 -8.2770 -8.2770 -7.4482 -7.4482 -6.6172 -6.6172 -4.8894 -4.8894 -3.1454 -3.1454 -2.4245 -2.4245 -0.1258 -0.1258 0.6967 0.6967 1.2911 1.2911 1.6902 1.6902 2.0496 2.0496 2.5447 2.5447 3.0715 3.0715 3.6276 3.6276 3.6658 3.6658 5.6264 5.6264 6.0212 6.0212 7.6142 7.6142 10.2050 10.2050 11.0050 11.0050 12.1287 12.1287 13.0475 13.0475 k = 0.1163 0.2014 0.6302 ( 2402 PWs) bands (ev): -11.1707 -11.1707 -9.7714 -9.7714 -8.1863 -8.1863 -7.3953 -7.3953 -6.6109 -6.6109 -5.0010 -5.0010 -3.1349 -3.1349 -2.4906 -2.4906 -0.0797 -0.0797 0.6488 0.6488 1.3344 1.3344 1.6661 1.6661 2.0156 2.0156 2.5227 2.5227 3.0753 3.0753 3.6559 3.6559 3.6946 3.6946 5.6685 5.6685 6.0294 6.0294 7.6595 7.6595 10.3051 10.3051 11.0280 11.0280 12.0307 12.0307 12.9843 12.9843 k = 0.1085 0.1880 0.6302 ( 2402 PWs) bands (ev): -11.1937 -11.1937 -9.7923 -9.7923 -8.0943 -8.0943 -7.3439 -7.3439 -6.6049 -6.6049 -5.1128 -5.1128 -3.1249 -3.1249 -2.5544 -2.5544 -0.0358 -0.0358 0.6036 0.6036 1.3764 1.3764 1.6426 1.6426 1.9833 1.9833 2.5005 2.5005 3.0789 3.0789 3.6827 3.6827 3.7208 3.7208 5.7112 5.7112 6.0372 6.0372 7.7035 7.7035 10.4040 10.4040 11.0511 11.0511 11.9379 11.9379 12.9186 12.9186 k = 0.1008 0.1745 0.6302 ( 2406 PWs) bands (ev): -11.2151 -11.2151 -9.8120 -9.8120 -8.0009 -8.0009 -7.2943 -7.2943 -6.5992 -6.5992 -5.2246 -5.2246 -3.1154 -3.1154 -2.6157 -2.6157 0.0057 0.0057 0.5612 0.5612 1.4172 1.4172 1.6200 1.6200 1.9525 1.9525 2.4779 2.4779 3.0823 3.0823 3.7080 3.7080 3.7446 3.7446 5.7539 5.7539 6.0448 6.0448 7.7459 7.7459 10.5012 10.5012 11.0743 11.0743 11.8504 11.8504 12.8531 12.8531 k = 0.0930 0.1611 0.6302 ( 2410 PWs) bands (ev): -11.2351 -11.2351 -9.8302 -9.8302 -7.9063 -7.9063 -7.2465 -7.2465 -6.5938 -6.5938 -5.3365 -5.3365 -3.1064 -3.1064 -2.6742 -2.6742 0.0448 0.0448 0.5217 0.5217 1.4566 1.4566 1.5982 1.5982 1.9236 1.9236 2.4551 2.4551 3.0854 3.0854 3.7318 3.7318 3.7660 3.7660 5.7962 5.7962 6.0519 6.0519 7.7864 7.7864 10.5958 10.5958 11.0971 11.0971 11.7683 11.7683 12.7895 12.7895 k = 0.0853 0.1477 0.6302 ( 2418 PWs) bands (ev): -11.2536 -11.2536 -9.8471 -9.8471 -7.8104 -7.8104 -7.2011 -7.2011 -6.5888 -6.5888 -5.4484 -5.4484 -3.0980 -3.0980 -2.7297 -2.7297 0.0815 0.0815 0.4851 0.4851 1.4946 1.4946 1.5774 1.5774 1.8965 1.8965 2.4323 2.4323 3.0883 3.0883 3.7539 3.7539 3.7851 3.7851 5.8372 5.8372 6.0585 6.0585 7.8249 7.8249 10.6872 10.6872 11.1193 11.1193 11.6919 11.6919 12.7289 12.7289 k = 0.0775 0.1343 0.6302 ( 2422 PWs) bands (ev): -11.2704 -11.2704 -9.8626 -9.8626 -7.7134 -7.7134 -7.1582 -7.1582 -6.5841 -6.5841 -5.5602 -5.5602 -3.0902 -3.0902 -2.7817 -2.7817 0.1156 0.1156 0.4516 0.4516 1.5310 1.5310 1.5577 1.5577 1.8714 1.8714 2.4095 2.4095 3.0910 3.0910 3.7744 3.7744 3.8021 3.8021 5.8770 5.8770 6.0647 6.0647 7.8611 7.8611 10.7747 10.7747 11.1406 11.1406 11.6213 11.6213 12.6719 12.6719 k = 0.0698 0.1208 0.6302 ( 2418 PWs) bands (ev): -11.2858 -11.2858 -9.8766 -9.8766 -7.6152 -7.6152 -7.1181 -7.1181 -6.5799 -6.5799 -5.6717 -5.6717 -3.0830 -3.0830 -2.8300 -2.8300 0.1471 0.1471 0.4211 0.4211 1.5392 1.5392 1.5658 1.5658 1.8485 1.8485 2.3870 2.3870 3.0934 3.0934 3.7932 3.7932 3.8170 3.8170 5.9147 5.9147 6.0704 6.0704 7.8949 7.8949 10.8574 10.8574 11.1608 11.1608 11.5567 11.5567 12.6191 12.6191 k = 0.0620 0.1074 0.6302 ( 2418 PWs) bands (ev): -11.2995 -11.2995 -9.8892 -9.8892 -7.5160 -7.5160 -7.0813 -7.0813 -6.5760 -6.5760 -5.7829 -5.7829 -3.0765 -3.0765 -2.8743 -2.8743 0.1758 0.1758 0.3937 0.3937 1.5221 1.5221 1.5987 1.5987 1.8278 1.8278 2.3651 2.3651 3.0956 3.0956 3.8101 3.8101 3.8300 3.8300 5.9499 5.9499 6.0756 6.0756 7.9260 7.9260 10.9344 10.9344 11.1796 11.1796 11.4983 11.4983 12.5708 12.5708 k = 0.0543 0.0940 0.6302 ( 2418 PWs) bands (ev): -11.3117 -11.3117 -9.9004 -9.9004 -7.4159 -7.4159 -7.0478 -7.0478 -6.5726 -6.5726 -5.8936 -5.8936 -3.0708 -3.0708 -2.9143 -2.9143 0.2016 0.2016 0.3695 0.3695 1.5065 1.5065 1.6294 1.6294 1.8093 1.8093 2.3439 2.3439 3.0976 3.0976 3.8252 3.8252 3.8411 3.8411 5.9821 5.9821 6.0802 6.0802 7.9542 7.9542 11.0051 11.0051 11.1968 11.1968 11.4463 11.4463 12.5274 12.5274 k = 0.0465 0.0806 0.6302 ( 2418 PWs) bands (ev): -11.3222 -11.3222 -9.9101 -9.9101 -7.3151 -7.3151 -7.0181 -7.0181 -6.5696 -6.5696 -6.0038 -6.0038 -3.0657 -3.0657 -2.9497 -2.9497 0.2243 0.2243 0.3484 0.3484 1.4925 1.4925 1.6577 1.6577 1.7931 1.7931 2.3238 2.3238 3.0993 3.0993 3.8384 3.8384 3.8506 3.8506 6.0108 6.0108 6.0843 6.0843 7.9792 7.9792 11.0686 11.0686 11.2122 11.2122 11.4007 11.4007 12.4890 12.4890 k = 0.0388 0.0671 0.6302 ( 2422 PWs) bands (ev): -11.3312 -11.3312 -9.9183 -9.9183 -7.2137 -7.2137 -6.9925 -6.9925 -6.5670 -6.5670 -6.1130 -6.1130 -3.0614 -3.0614 -2.9802 -2.9802 0.2439 0.2439 0.3305 0.3305 1.4804 1.4804 1.6830 1.6830 1.7794 1.7794 2.3054 2.3054 3.1007 3.1007 3.8496 3.8496 3.8584 3.8584 6.0358 6.0358 6.0878 6.0878 8.0008 8.0008 11.1240 11.1240 11.2255 11.2255 11.3619 11.3619 12.4559 12.4559 k = 0.0310 0.0537 0.6302 ( 2410 PWs) bands (ev): -11.3385 -11.3385 -9.9250 -9.9250 -7.1122 -7.1122 -6.9711 -6.9711 -6.5649 -6.5649 -6.2209 -6.2209 -3.0579 -3.0579 -3.0055 -3.0055 0.2602 0.2602 0.3159 0.3159 1.4702 1.4702 1.7051 1.7051 1.7681 1.7681 2.2890 2.2890 3.1020 3.1020 3.8589 3.8589 3.8648 3.8648 6.0567 6.0567 6.0907 6.0907 8.0188 8.0188 11.1706 11.1706 11.2367 11.2367 11.3299 11.3299 12.4283 12.4283 k = 0.0233 0.0403 0.6302 ( 2402 PWs) bands (ev): -11.3442 -11.3442 -9.9303 -9.9303 -7.0114 -7.0114 -6.9542 -6.9542 -6.5632 -6.5632 -6.3267 -6.3267 -3.0551 -3.0551 -3.0254 -3.0254 0.2730 0.2730 0.3045 0.3045 1.4621 1.4621 1.7231 1.7231 1.7593 1.7593 2.2754 2.2754 3.1029 3.1029 3.8660 3.8660 3.8699 3.8699 6.0730 6.0730 6.0932 6.0932 8.0330 8.0330 11.2077 11.2077 11.2457 11.2457 11.3049 11.3049 12.4066 12.4066 k = 0.0155 0.0269 0.6302 ( 2402 PWs) bands (ev): -11.3483 -11.3483 -9.9340 -9.9340 -6.9420 -6.9420 -6.9138 -6.9138 -6.5621 -6.5621 -6.4279 -6.4279 -3.0532 -3.0532 -3.0398 -3.0398 0.2822 0.2822 0.2964 0.2964 1.4563 1.4563 1.7366 1.7366 1.7530 1.7530 2.2650 2.2650 3.1036 3.1036 3.8710 3.8710 3.8735 3.8735 6.0843 6.0843 6.0954 6.0954 8.0433 8.0433 11.2345 11.2345 11.2523 11.2523 11.2870 11.2870 12.3908 12.3908 k = 0.0078 0.0134 0.6302 ( 2402 PWs) bands (ev): -11.3507 -11.3507 -9.9363 -9.9363 -6.9347 -6.9347 -6.8270 -6.8270 -6.5614 -6.5614 -6.5169 -6.5169 -3.0522 -3.0522 -3.0483 -3.0483 0.2876 0.2876 0.2917 0.2917 1.4527 1.4527 1.7447 1.7447 1.7494 1.7494 2.2585 2.2585 3.1039 3.1039 3.8738 3.8738 3.8759 3.8759 6.0903 6.0903 6.0979 6.0979 8.0495 8.0495 11.2500 11.2500 11.2572 11.2572 11.2761 11.2761 12.3813 12.3813 k = 0.0000 0.0000 0.6302 ( 2390 PWs) bands (ev): -11.3514 -11.3514 -9.9370 -9.9370 -6.9322 -6.9322 -6.7835 -6.7835 -6.5613 -6.5613 -6.5609 -6.5609 -3.0525 -3.0525 -3.0504 -3.0504 0.2887 0.2887 0.2908 0.2908 1.4515 1.4515 1.7466 1.7466 1.7490 1.7490 2.2563 2.2563 3.1041 3.1041 3.8747 3.8747 3.8767 3.8767 6.0920 6.0920 6.0993 6.0993 8.0516 8.0516 11.2543 11.2543 11.2601 11.2601 11.2725 11.2725 12.3781 12.3781 k = 0.5000 0.2887 0.6302 ( 2380 PWs) bands (ev): -10.5697 -10.5697 -9.5493 -9.5493 -9.2339 -9.2339 -8.3534 -8.3534 -6.6874 -6.6874 -3.3239 -3.3239 -3.2572 -3.2572 -1.4327 -1.4327 -0.9256 -0.9256 0.6757 0.6757 1.5952 1.5952 2.1943 2.1943 2.5073 2.5073 2.8582 2.8582 2.8858 2.8858 2.9508 2.9508 3.0816 3.0816 5.0927 5.0927 5.7815 5.7815 7.1687 7.1687 9.0418 9.0418 10.2284 10.2284 13.3384 13.3384 14.4033 14.4033 k = 0.5000 0.2887 0.6148 ( 2380 PWs) bands (ev): -10.5744 -10.5744 -9.5544 -9.5544 -9.2272 -9.2272 -8.3464 -8.3464 -6.6886 -6.6886 -3.3268 -3.3268 -3.2542 -3.2542 -1.4279 -1.4279 -0.9303 -0.9303 0.6815 0.6815 1.5870 1.5870 2.1831 2.1831 2.5173 2.5173 2.7277 2.7277 2.9556 2.9556 3.0137 3.0137 3.0796 3.0796 5.0930 5.0930 5.7794 5.7794 7.1681 7.1681 9.0447 9.0447 10.2309 10.2309 13.3399 13.3399 14.3903 14.3903 k = 0.5000 0.2887 0.5994 ( 2372 PWs) bands (ev): -10.5883 -10.5883 -9.5695 -9.5695 -9.2073 -9.2073 -8.3258 -8.3258 -6.6923 -6.6923 -3.3355 -3.3355 -3.2452 -3.2452 -1.4135 -1.4135 -0.9443 -0.9443 0.6986 0.6986 1.5632 1.5632 2.1503 2.1503 2.5461 2.5461 2.5823 2.5823 2.9690 2.9690 3.0736 3.0736 3.1515 3.1515 5.0938 5.0938 5.7729 5.7729 7.1666 7.1666 9.0535 9.0535 10.2384 10.2384 13.3446 13.3446 14.3552 14.3552 k = 0.5000 0.2887 0.5840 ( 2376 PWs) bands (ev): -10.6105 -10.6105 -9.5935 -9.5935 -9.1752 -9.1752 -8.2925 -8.2925 -6.6984 -6.6984 -3.3497 -3.3497 -3.2303 -3.2303 -1.3900 -1.3900 -0.9670 -0.9670 0.7265 0.7265 1.5265 1.5265 2.0985 2.0985 2.4346 2.4346 2.5913 2.5913 2.9886 2.9886 3.0637 3.0637 3.2863 3.2863 5.0948 5.0948 5.7622 5.7622 7.1639 7.1639 9.0677 9.0677 10.2510 10.2510 13.3524 13.3524 14.3057 14.3057 k = 0.5000 0.2887 0.5687 ( 2382 PWs) bands (ev): -10.6399 -10.6399 -9.6251 -9.6251 -9.1318 -9.1318 -8.2480 -8.2480 -6.7068 -6.7068 -3.3689 -3.3689 -3.2096 -3.2096 -1.3577 -1.3577 -0.9976 -0.9976 0.7644 0.7644 1.4800 1.4800 2.0306 2.0306 2.2850 2.2850 2.6495 2.6495 3.0117 3.0117 3.0498 3.0498 3.4178 3.4178 5.0961 5.0961 5.7475 5.7475 7.1602 7.1602 9.0876 9.0876 10.2684 10.2684 13.3632 13.3632 14.2482 14.2482 k = 0.5000 0.2887 0.5533 ( 2378 PWs) bands (ev): -10.6753 -10.6753 -9.6627 -9.6627 -9.0785 -9.0785 -8.1938 -8.1938 -6.7174 -6.7174 -3.3925 -3.3925 -3.1832 -3.1832 -1.3171 -1.3171 -1.0352 -1.0352 0.8112 0.8112 1.4266 1.4266 1.9497 1.9497 2.1343 2.1343 2.7179 2.7179 3.0320 3.0320 3.0359 3.0359 3.5455 3.5455 5.0973 5.0973 5.7288 5.7288 7.1556 7.1556 9.1130 9.1130 10.2907 10.2907 13.3770 13.3770 14.1867 14.1867 k = 0.5000 0.2887 0.5379 ( 2380 PWs) bands (ev): -10.7153 -10.7153 -9.7051 -9.7051 -9.0165 -9.0165 -8.1312 -8.1312 -6.7301 -6.7301 -3.4200 -3.4200 -3.1512 -3.1512 -1.2690 -1.2690 -1.0789 -1.0789 0.8659 0.8659 1.3686 1.3686 1.8578 1.8578 1.9825 1.9825 2.7942 2.7942 3.0102 3.0102 3.0593 3.0593 3.6692 3.6692 5.0981 5.0981 5.7063 5.7063 7.1500 7.1500 9.1437 9.1437 10.3177 10.3177 13.3938 13.3938 14.1234 14.1234 k = 0.5000 0.2887 0.5226 ( 2380 PWs) bands (ev): -10.7589 -10.7589 -9.7508 -9.7508 -8.9471 -8.9471 -8.0617 -8.0617 -6.7447 -6.7447 -3.4507 -3.4507 -3.1138 -3.1138 -1.2140 -1.2140 -1.1277 -1.1277 0.9274 0.9274 1.3078 1.3078 1.7569 1.7569 1.8301 1.8301 2.8766 2.8766 2.9844 2.9844 3.0807 3.0807 3.7885 3.7885 5.0982 5.0982 5.6804 5.6804 7.1434 7.1434 9.1795 9.1795 10.3494 10.3494 13.4134 13.4134 14.0595 14.0595 k = 0.5000 0.2887 0.5072 ( 2376 PWs) bands (ev): -10.8051 -10.8051 -9.7989 -9.7989 -8.8711 -8.8711 -7.9862 -7.9862 -6.7611 -6.7611 -3.4840 -3.4840 -3.0711 -3.0711 -1.1809 -1.1809 -1.1526 -1.1526 0.9947 0.9947 1.2453 1.2453 1.6483 1.6483 1.6777 1.6777 2.9545 2.9545 2.9639 2.9639 3.0993 3.0993 3.9033 3.9033 5.0972 5.0972 5.6512 5.6512 7.1360 7.1360 9.2203 9.2203 10.3854 10.3854 13.4358 13.4358 13.9961 13.9961 k = 0.5000 0.2887 0.4918 ( 2384 PWs) bands (ev): -10.8529 -10.8529 -9.8485 -9.8485 -8.7895 -8.7895 -7.9056 -7.9056 -6.7790 -6.7790 -3.5192 -3.5192 -3.0235 -3.0235 -1.2379 -1.2379 -1.0857 -1.0857 1.0663 1.0663 1.1822 1.1822 1.5259 1.5259 1.5331 1.5331 2.9208 2.9208 3.0548 3.0548 3.1147 3.1147 4.0131 4.0131 5.0947 5.0947 5.6191 5.6191 7.1277 7.1277 9.2657 9.2657 10.4258 10.4258 13.4607 13.4607 13.9334 13.9334 k = 0.5000 0.2887 0.4765 ( 2384 PWs) bands (ev): -10.9019 -10.9019 -9.8990 -9.8990 -8.7028 -8.7028 -7.8207 -7.8207 -6.7983 -6.7983 -3.5558 -3.5558 -2.9709 -2.9709 -1.2981 -1.2981 -1.0136 -1.0136 1.1189 1.1189 1.1393 1.1393 1.3778 1.3778 1.4120 1.4120 2.8830 2.8830 3.1267 3.1267 3.1488 3.1488 4.1178 4.1178 5.0904 5.0904 5.5844 5.5844 7.1186 7.1186 9.3155 9.3155 10.4703 10.4703 13.4881 13.4881 13.8720 13.8720 k = 0.5000 0.2887 0.4611 ( 2388 PWs) bands (ev): -10.9513 -10.9513 -9.9497 -9.9497 -8.6118 -8.6118 -7.7320 -7.7320 -6.8188 -6.8188 -3.5934 -3.5934 -2.9138 -2.9138 -1.3612 -1.3612 -0.9369 -0.9369 1.0562 1.0562 1.1749 1.1749 1.2715 1.2715 1.2860 1.2860 2.8412 2.8412 3.1353 3.1353 3.2453 3.2453 4.2169 4.2169 5.0837 5.0837 5.5474 5.5474 7.1089 7.1089 9.3695 9.3695 10.5187 10.5187 13.5179 13.5179 13.8120 13.8120 k = 0.5000 0.2887 0.4457 ( 2396 PWs) bands (ev): -11.0007 -11.0007 -10.0004 -10.0004 -8.5168 -8.5168 -7.6400 -7.6400 -6.8404 -6.8404 -3.6314 -3.6314 -2.8523 -2.8523 -1.4269 -1.4269 -0.8561 -0.8561 0.9942 0.9942 1.0551 1.0551 1.1555 1.1555 1.3251 1.3251 2.7954 2.7954 3.1405 3.1405 3.3439 3.3439 4.3104 4.3104 5.0745 5.0745 5.5085 5.5085 7.0984 7.0984 9.4275 9.4275 10.5708 10.5708 13.5499 13.5499 13.7537 13.7537 k = 0.5000 0.2887 0.4303 ( 2394 PWs) bands (ev): -11.0499 -11.0499 -10.0505 -10.0505 -8.4182 -8.4182 -7.5451 -7.5451 -6.8627 -6.8627 -3.6694 -3.6694 -2.7865 -2.7865 -1.4950 -1.4950 -0.7716 -0.7716 0.9092 0.9092 0.9335 0.9335 1.0213 1.0213 1.4093 1.4093 2.7457 2.7457 3.1424 3.1424 3.4441 3.4441 4.3979 4.3979 5.0624 5.0624 5.4680 5.4680 7.0875 7.0875 9.4891 9.4891 10.6265 10.6265 13.5839 13.5839 13.6971 13.6971 k = 0.5000 0.2887 0.4150 ( 2396 PWs) bands (ev): -11.0984 -11.0984 -10.1000 -10.1000 -8.3163 -8.3163 -7.4477 -7.4477 -6.8856 -6.8856 -3.7070 -3.7070 -2.7167 -2.7167 -1.5656 -1.5656 -0.6839 -0.6839 0.7627 0.7627 0.8739 0.8739 0.8838 0.8838 1.4989 1.4989 2.6921 2.6921 3.1413 3.1413 3.5456 3.5456 4.4793 4.4793 5.0471 5.0471 5.4262 5.4262 7.0760 7.0760 9.5541 9.5541 10.6855 10.6855 13.6197 13.6197 13.6424 13.6424 k = 0.5000 0.2887 0.3996 ( 2396 PWs) bands (ev): -11.1461 -11.1461 -10.1484 -10.1484 -8.2114 -8.2114 -7.3481 -7.3481 -6.9090 -6.9090 -3.7440 -3.7440 -2.6432 -2.6432 -1.6386 -1.6386 -0.5935 -0.5935 0.6179 0.6179 0.7435 0.7435 0.8159 0.8159 1.5915 1.5915 2.6344 2.6344 3.1373 3.1373 3.6480 3.6480 4.5544 4.5544 5.0284 5.0284 5.3836 5.3836 7.0640 7.0640 9.6223 9.6223 10.7475 10.7475 13.5896 13.5896 13.6572 13.6572 k = 0.5000 0.2887 0.3842 ( 2392 PWs) bands (ev): -11.1928 -11.1928 -10.1958 -10.1958 -8.1037 -8.1037 -7.2465 -7.2465 -6.9327 -6.9327 -3.7799 -3.7799 -2.5660 -2.5660 -1.7141 -1.7141 -0.5007 -0.5007 0.4755 0.4755 0.6011 0.6011 0.7595 0.7595 1.6865 1.6865 2.5730 2.5730 3.1307 3.1307 3.7512 3.7512 4.6228 4.6228 5.0061 5.0061 5.3404 5.3404 7.0518 7.0518 9.6935 9.6935 10.8124 10.8124 13.5389 13.5389 13.6961 13.6961 k = 0.5000 0.2887 0.3689 ( 2392 PWs) bands (ev): -11.2383 -11.2383 -10.2418 -10.2418 -7.9933 -7.9933 -7.1432 -7.1432 -6.9566 -6.9566 -3.8146 -3.8146 -2.4855 -2.4855 -1.7924 -1.7924 -0.4063 -0.4063 0.3365 0.3365 0.4572 0.4572 0.7048 0.7048 1.7835 1.7835 2.5076 2.5076 3.1216 3.1216 3.8548 3.8548 4.6845 4.6845 4.9801 4.9801 5.2971 5.2971 7.0391 7.0391 9.7673 9.7673 10.8797 10.8797 13.4901 13.4901 13.7363 13.7363 k = 0.5000 0.2887 0.3535 ( 2404 PWs) bands (ev): -11.2825 -11.2825 -10.2865 -10.2865 -7.8805 -7.8805 -7.0385 -7.0385 -6.9804 -6.9804 -3.8478 -3.8478 -2.4017 -2.4017 -1.8738 -1.8738 -0.3115 -0.3115 0.2012 0.2012 0.3132 0.3132 0.6520 0.6520 1.8821 1.8821 2.4383 2.4383 3.1102 3.1102 3.9585 3.9585 4.7391 4.7391 4.9503 4.9503 5.2537 5.2537 7.0262 7.0262 9.8435 9.8435 10.9494 10.9494 13.4435 13.4435 13.7773 13.7773 k = 0.5000 0.2887 0.3381 ( 2404 PWs) bands (ev): -11.3252 -11.3252 -10.3297 -10.3297 -7.7654 -7.7654 -7.0040 -7.0040 -6.9326 -6.9326 -3.8791 -3.8791 -2.3149 -2.3149 -1.9583 -1.9583 -0.2202 -0.2202 0.0704 0.0704 0.1732 0.1732 0.6011 0.6011 1.9822 1.9822 2.3653 2.3653 3.0967 3.0967 4.0621 4.0621 4.7869 4.7869 4.9168 4.9168 5.2108 5.2108 7.0131 7.0131 9.9219 9.9219 11.0211 11.0211 13.3990 13.3990 13.8192 13.8192 k = 0.5000 0.2887 0.3228 ( 2404 PWs) bands (ev): -11.3665 -11.3665 -10.3713 -10.3713 -7.6480 -7.6480 -7.0274 -7.0274 -6.8259 -6.8259 -3.9083 -3.9083 -2.2252 -2.2252 -2.0464 -2.0464 -0.1532 -0.1532 -0.0554 -0.0554 0.0580 0.0580 0.5522 0.5522 2.0835 2.0835 2.2887 2.2887 3.0811 3.0811 4.1654 4.1654 4.8277 4.8277 4.8796 4.8796 5.1685 5.1685 7.0000 7.0000 10.0022 10.0022 11.0945 11.0945 13.3567 13.3567 13.8616 13.8616 k = 0.5000 0.2887 0.3074 ( 2394 PWs) bands (ev): -11.4061 -11.4061 -10.4112 -10.4112 -7.5285 -7.5285 -7.0503 -7.0503 -6.7185 -6.7185 -3.9352 -3.9352 -2.1383 -2.1383 -2.1327 -2.1327 -0.1983 -0.1983 -0.1757 -0.1757 0.0555 0.0555 0.5054 0.5054 2.1859 2.1859 2.2085 2.2085 3.0637 3.0637 4.2679 4.2679 4.8389 4.8389 4.8613 4.8613 5.1271 5.1271 6.9868 6.9868 10.0842 10.0842 11.1694 11.1694 13.3166 13.3166 13.9044 13.9044 k = 0.5000 0.2887 0.2920 ( 2394 PWs) bands (ev): -11.4440 -11.4440 -10.4494 -10.4494 -7.4070 -7.4070 -7.0727 -7.0727 -6.6109 -6.6109 -3.9593 -3.9593 -2.2343 -2.2343 -2.0378 -2.0378 -0.3283 -0.3283 -0.2900 -0.2900 0.1386 0.1386 0.4606 0.4606 2.1248 2.1248 2.2891 2.2891 3.0443 3.0443 4.3694 4.3694 4.7949 4.7949 4.8877 4.8877 5.0868 5.0868 6.9736 6.9736 10.1675 10.1675 11.2454 11.2454 13.2786 13.2786 13.9470 13.9470 k = 0.5000 0.2887 0.2767 ( 2400 PWs) bands (ev): -11.4803 -11.4803 -10.4859 -10.4859 -7.2837 -7.2837 -7.0945 -7.0945 -6.5034 -6.5034 -3.9805 -3.9805 -2.3347 -2.3347 -1.9404 -1.9404 -0.4744 -0.4744 -0.3980 -0.3980 0.2385 0.2385 0.4179 0.4179 2.0378 2.0378 2.3930 2.3930 3.0231 3.0231 4.4695 4.4695 4.7479 4.7479 4.9067 4.9067 5.0478 5.0478 6.9605 6.9605 10.2517 10.2517 11.3222 11.3222 13.2427 13.2427 13.9893 13.9893 k = 0.5000 0.2887 0.2613 ( 2408 PWs) bands (ev): -11.5148 -11.5148 -10.5206 -10.5206 -7.1586 -7.1586 -7.1156 -7.1156 -6.3964 -6.3964 -3.9984 -3.9984 -2.4394 -2.4394 -1.8407 -1.8407 -0.6246 -0.6246 -0.4993 -0.4993 0.3434 0.3434 0.3774 0.3774 1.9475 1.9475 2.4974 2.4974 3.0000 3.0000 4.5679 4.5679 4.6981 4.6981 4.9187 4.9187 5.0102 5.0102 6.9475 6.9475 10.3368 10.3368 11.3993 11.3993 13.2091 13.2091 14.0311 14.0311 k = 0.5000 0.2887 0.2459 ( 2414 PWs) bands (ev): -11.5474 -11.5474 -10.5535 -10.5535 -7.1359 -7.1359 -7.0318 -7.0318 -6.2904 -6.2904 -4.0125 -4.0125 -2.5485 -2.5485 -1.7390 -1.7390 -0.7762 -0.7762 -0.5936 -0.5936 0.3390 0.3390 0.4506 0.4506 1.8541 1.8541 2.6021 2.6021 2.9750 2.9750 4.6460 4.6460 4.6644 4.6644 4.9236 4.9236 4.9743 4.9743 6.9347 6.9347 10.4223 10.4223 11.4764 11.4764 13.1775 13.1775 14.0719 14.0719 k = 0.5000 0.2887 0.2305 ( 2414 PWs) bands (ev): -11.5782 -11.5782 -10.5845 -10.5845 -7.1553 -7.1553 -6.9034 -6.9034 -6.1859 -6.1859 -4.0224 -4.0224 -2.6619 -2.6619 -1.6353 -1.6353 -0.9282 -0.9282 -0.6809 -0.6809 0.3029 0.3029 0.5592 0.5592 1.7580 1.7580 2.7071 2.7071 2.9480 2.9480 4.5922 4.5922 4.7584 4.7584 4.9215 4.9215 4.9402 4.9402 6.9222 6.9222 10.5078 10.5078 11.5531 11.5531 13.1481 13.1481 14.1114 14.1114 k = 0.5000 0.2887 0.2152 ( 2422 PWs) bands (ev): -11.6072 -11.6072 -10.6135 -10.6135 -7.1737 -7.1737 -6.7735 -6.7735 -6.0836 -6.0836 -4.0276 -4.0276 -2.7796 -2.7796 -1.5297 -1.5297 -1.0800 -1.0800 -0.7611 -0.7611 0.2691 0.2691 0.6687 0.6687 1.6591 1.6591 2.8120 2.8120 2.9188 2.9188 4.5369 4.5369 4.8495 4.8495 4.9079 4.9079 4.9125 4.9125 6.9099 6.9099 10.5928 10.5928 11.6289 11.6289 13.1208 13.1208 14.0583 14.0583 k = 0.5000 0.2887 0.1998 ( 2426 PWs) bands (ev): -11.6342 -11.6342 -10.6407 -10.6407 -7.1911 -7.1911 -6.6423 -6.6423 -5.9842 -5.9842 -4.0276 -4.0276 -2.9012 -2.9012 -1.4224 -1.4224 -1.2310 -1.2310 -0.8344 -0.8344 0.2375 0.2375 0.7787 0.7787 1.5576 1.5576 2.8871 2.8871 2.9169 2.9169 4.4811 4.4811 4.8776 4.8776 4.8966 4.8966 4.9377 4.9377 6.8981 6.8981 10.6770 10.6770 11.7034 11.7034 13.0955 13.0955 14.0249 14.0249 k = 0.5000 0.2887 0.1844 ( 2418 PWs) bands (ev): -11.6593 -11.6593 -10.6659 -10.6659 -7.2075 -7.2075 -6.5099 -6.5099 -5.8884 -5.8884 -4.0218 -4.0218 -3.0263 -3.0263 -1.3810 -1.3810 -1.3135 -1.3135 -0.9008 -0.9008 0.2081 0.2081 0.8891 0.8891 1.4539 1.4539 2.8528 2.8528 3.0214 3.0214 4.4252 4.4252 4.8494 4.8494 4.8745 4.8745 5.0220 5.0220 6.8866 6.8866 10.7597 10.7597 11.7760 11.7760 13.0723 13.0723 13.9937 13.9937 k = 0.5000 0.2887 0.1691 ( 2422 PWs) bands (ev): -11.6824 -11.6824 -10.6892 -10.6892 -7.2227 -7.2227 -6.3765 -6.3765 -5.7972 -5.7972 -4.0095 -4.0095 -3.1544 -3.1544 -1.5295 -1.5295 -1.2033 -1.2033 -0.9607 -0.9607 0.1811 0.1811 0.9994 0.9994 1.3480 1.3480 2.8156 2.8156 3.1254 3.1254 4.3700 4.3700 4.8233 4.8233 4.8459 4.8459 5.1022 5.1022 6.8756 6.8756 10.8404 10.8404 11.8462 11.8462 13.0510 13.0510 13.9645 13.9645 k = 0.5000 0.2887 0.1537 ( 2422 PWs) bands (ev): -11.7036 -11.7036 -10.7104 -10.7104 -7.2367 -7.2367 -6.2422 -6.2422 -5.7115 -5.7115 -3.9903 -3.9903 -3.2852 -3.2852 -1.6760 -1.6760 -1.0917 -1.0917 -1.0143 -1.0143 0.1563 0.1563 1.1094 1.1094 1.2402 1.2402 2.7750 2.7750 3.2287 3.2287 4.3161 4.3161 4.7993 4.7993 4.8111 4.8111 5.1778 5.1778 6.8652 6.8652 10.9185 10.9185 11.9134 11.9134 13.0318 13.0318 13.9375 13.9375 k = 0.5000 0.2887 0.1383 ( 2424 PWs) bands (ev): -11.7229 -11.7229 -10.7297 -10.7297 -7.2495 -7.2495 -6.1073 -6.1073 -5.6322 -5.6322 -3.9636 -3.9636 -3.4180 -3.4180 -1.8199 -1.8199 -1.0617 -1.0617 -0.9791 -0.9791 0.1339 0.1339 1.1307 1.1307 1.2188 1.2188 2.7308 2.7308 3.3311 3.3311 4.2645 4.2645 4.7704 4.7704 4.7776 4.7776 5.2483 5.2483 6.8553 6.8553 10.9931 10.9931 11.9769 11.9769 13.0145 13.0145 13.9127 13.9127 k = 0.5000 0.2887 0.1230 ( 2424 PWs) bands (ev): -11.7401 -11.7401 -10.7470 -10.7470 -7.2611 -7.2611 -5.9723 -5.9723 -5.5602 -5.5602 -3.9291 -3.9291 -3.5521 -3.5521 -1.9605 -1.9605 -1.1034 -1.1034 -0.8654 -0.8654 0.1139 0.1139 1.0197 1.0197 1.3274 1.3274 2.6826 2.6826 3.4325 3.4325 4.2158 4.2158 4.7241 4.7241 4.7580 4.7580 5.3132 5.3132 6.8461 6.8461 11.0636 11.0636 12.0362 12.0362 12.9992 12.9992 13.8900 13.8900 k = 0.5000 0.2887 0.1076 ( 2416 PWs) bands (ev): -11.7553 -11.7553 -10.7623 -10.7623 -7.2714 -7.2714 -5.8375 -5.8375 -5.4961 -5.4961 -3.8869 -3.8869 -3.6868 -3.6868 -2.0969 -2.0969 -1.1395 -1.1395 -0.7509 -0.7509 0.0961 0.0961 0.9075 0.9075 1.4348 1.4348 2.6301 2.6301 3.5325 3.5325 4.1709 4.1709 4.6725 4.6725 4.7408 4.7408 5.3720 5.3720 6.8376 6.8376 11.1290 11.1290 12.0906 12.0906 12.9857 12.9857 13.8695 13.8695 k = 0.5000 0.2887 0.0922 ( 2414 PWs) bands (ev): -11.7685 -11.7685 -10.7755 -10.7755 -7.2803 -7.2803 -5.7037 -5.7037 -5.4406 -5.4406 -3.8377 -3.8377 -3.8210 -3.8210 -2.2280 -2.2280 -1.1703 -1.1703 -0.6359 -0.6359 0.0808 0.0808 0.7942 0.7942 1.5408 1.5408 2.5730 2.5730 3.6311 3.6311 4.1304 4.1304 4.6158 4.6158 4.7258 4.7258 5.4244 5.4244 6.8301 6.8301 11.1884 11.1884 12.1395 12.1395 12.9740 12.9740 13.8513 13.8513 k = 0.5000 0.2887 0.0768 ( 2408 PWs) bands (ev): -11.7797 -11.7797 -10.7868 -10.7868 -7.2880 -7.2880 -5.5720 -5.5720 -5.3939 -5.3939 -3.9535 -3.9535 -3.7828 -3.7828 -2.3519 -2.3519 -1.1960 -1.1960 -0.5207 -0.5207 0.0677 0.0677 0.6804 0.6804 1.6449 1.6449 2.5111 2.5111 3.7279 3.7279 4.0951 4.0951 4.5543 4.5543 4.7131 4.7131 5.4696 5.4696 6.8234 6.8234 11.2409 11.2409 12.1821 12.1821 12.9643 12.9643 13.8355 13.8355 k = 0.5000 0.2887 0.0615 ( 2416 PWs) bands (ev): -11.7888 -11.7888 -10.7960 -10.7960 -7.2942 -7.2942 -5.4445 -5.4445 -5.3561 -5.3561 -4.0819 -4.0819 -3.7247 -3.7247 -2.4663 -2.4663 -1.2169 -1.2169 -0.4058 -0.4058 0.0570 0.0570 0.5666 0.5666 1.7468 1.7468 2.4444 2.4444 3.8226 3.8226 4.0653 4.0653 4.4883 4.4883 4.7027 4.7027 5.5072 5.5072 6.8177 6.8177 11.2854 11.2854 12.2179 12.2179 12.9563 12.9563 13.8222 13.8222 k = 0.5000 0.2887 0.0461 ( 2412 PWs) bands (ev): -11.7960 -11.7960 -10.8031 -10.8031 -7.2991 -7.2991 -5.3270 -5.3270 -5.3247 -5.3247 -4.2026 -4.2026 -3.6673 -3.6673 -2.5671 -2.5671 -1.2329 -1.2329 -0.2920 -0.2920 0.0487 0.0487 0.4536 0.4536 1.8461 1.8461 2.3729 2.3729 3.9149 3.9149 4.0418 4.0418 4.4184 4.4184 4.6946 4.6946 5.5370 5.5370 6.8132 6.8132 11.3212 11.3212 12.2464 12.2464 12.9501 12.9501 13.8116 13.8116 k = 0.5000 0.2887 0.0307 ( 2416 PWs) bands (ev): -11.8011 -11.8011 -10.8082 -10.8082 -7.3026 -7.3026 -5.3065 -5.3065 -5.2196 -5.2196 -4.3084 -4.3084 -3.6166 -3.6166 -2.6486 -2.6486 -1.2443 -1.2443 -0.1818 -0.1818 0.0428 0.0428 0.3439 0.3439 1.9421 1.9421 2.2969 2.2969 4.0041 4.0041 4.0247 4.0247 4.3450 4.3450 4.6888 4.6888 5.5585 5.5585 6.8099 6.8099 11.3474 11.3474 12.2671 12.2671 12.9457 12.9457 13.8039 13.8039 k = 0.5000 0.2887 0.0154 ( 2424 PWs) bands (ev): -11.8042 -11.8042 -10.8113 -10.8113 -7.3047 -7.3047 -5.2943 -5.2943 -5.1425 -5.1425 -4.3860 -4.3860 -3.5805 -3.5805 -2.7031 -2.7031 -1.2511 -1.2511 -0.0831 -0.0831 0.0392 0.0392 0.2454 0.2454 2.0333 2.0333 2.2177 2.2177 4.0143 4.0143 4.0884 4.0884 4.2702 4.2702 4.6853 4.6853 5.5714 5.5714 6.8079 6.8079 11.3633 11.3633 12.2796 12.2796 12.9430 12.9430 13.7992 13.7992 k = 0.5000 0.2887-0.0000 ( 2414 PWs) bands (ev): -11.8052 -11.8052 -10.8123 -10.8123 -7.3054 -7.3054 -5.2903 -5.2903 -5.1129 -5.1129 -4.4158 -4.4158 -3.5673 -3.5673 -2.7225 -2.7225 -1.2533 -1.2533 -0.0323 -0.0323 0.0381 0.0381 0.1949 0.1949 2.0993 2.0993 2.1558 2.1558 4.0108 4.0108 4.1448 4.1448 4.2170 4.2170 4.6842 4.6842 5.5758 5.5758 6.8072 6.8072 11.3687 11.3687 12.2839 12.2839 12.9422 12.9422 13.7976 13.7976 k = 0.3333 0.5774-0.0000 ( 2394 PWs) bands (ev): -11.3497 -11.3497 -11.3496 -11.3496 -7.4128 -7.4128 -5.0207 -5.0207 -5.0207 -5.0207 -4.0249 -4.0249 -4.0248 -4.0248 -2.2164 -2.2164 -2.2160 -2.2160 -0.2290 -0.2290 0.0792 0.0792 0.5348 0.5348 3.1778 3.1778 3.1797 3.1797 3.2131 3.2131 3.2143 3.2143 3.4563 3.4563 5.7067 5.7067 5.7086 5.7086 5.8883 5.8883 11.0639 11.0639 13.1908 13.1908 13.1934 13.1934 14.1406 14.1406 k = 0.3333 0.5774 0.0154 ( 2406 PWs) bands (ev): -11.3487 -11.3487 -11.3486 -11.3486 -7.4121 -7.4121 -5.0368 -5.0368 -5.0368 -5.0368 -4.0122 -4.0122 -4.0120 -4.0120 -2.2109 -2.2109 -2.2104 -2.2104 -0.2660 -0.2660 0.1153 0.1153 0.5360 0.5360 3.1003 3.1003 3.1019 3.1019 3.2876 3.2876 3.2890 3.2890 3.4583 3.4583 5.7078 5.7078 5.7097 5.7097 5.8843 5.8843 11.0581 11.0581 13.1864 13.1864 13.1890 13.1890 14.1463 14.1463 k = 0.3333 0.5774 0.0307 ( 2406 PWs) bands (ev): -11.3456 -11.3456 -11.3455 -11.3455 -7.4099 -7.4099 -5.0825 -5.0825 -5.0824 -5.0824 -3.9764 -3.9764 -3.9762 -3.9762 -2.1941 -2.1941 -2.1937 -2.1937 -0.3488 -0.3488 0.1956 0.1956 0.5395 0.5395 3.0052 3.0052 3.0067 3.0067 3.3742 3.3742 3.3757 3.3757 3.4642 3.4642 5.7114 5.7114 5.7133 5.7133 5.8724 5.8724 11.0412 11.0412 13.1734 13.1734 13.1760 13.1760 14.1558 14.1558 k = 0.3333 0.5774 0.0461 ( 2400 PWs) bands (ev): -11.3405 -11.3405 -11.3404 -11.3404 -7.4063 -7.4063 -5.1519 -5.1519 -5.1519 -5.1519 -3.9234 -3.9234 -3.9233 -3.9233 -2.1662 -2.1662 -2.1657 -2.1657 -0.4484 -0.4484 0.2911 0.2911 0.5455 0.5455 2.9072 2.9072 2.9087 2.9087 3.4580 3.4580 3.4594 3.4594 3.4740 3.4740 5.7173 5.7173 5.7192 5.7192 5.8526 5.8526 11.0135 11.0135 13.1524 13.1524 13.1550 13.1550 14.1690 14.1690 k = 0.3333 0.5774 0.0615 ( 2400 PWs) bands (ev): -11.3334 -11.3334 -11.3333 -11.3333 -7.4013 -7.4013 -5.2388 -5.2388 -5.2388 -5.2388 -3.8598 -3.8598 -3.8596 -3.8596 -2.1270 -2.1270 -2.1265 -2.1265 -0.5546 -0.5546 0.3913 0.3913 0.5538 0.5538 2.8070 2.8070 2.8085 2.8085 3.4877 3.4877 3.5383 3.5383 3.5398 3.5398 5.7256 5.7256 5.7275 5.7275 5.8252 5.8252 10.9756 10.9756 13.1240 13.1240 13.1266 13.1266 14.1866 14.1866 k = 0.3333 0.5774 0.0768 ( 2412 PWs) bands (ev): -11.3242 -11.3242 -11.3241 -11.3241 -7.3949 -7.3949 -5.3380 -5.3380 -5.3379 -5.3379 -3.7905 -3.7905 -3.7904 -3.7904 -2.0766 -2.0766 -2.0761 -2.0761 -0.6638 -0.6638 0.4928 0.4928 0.5644 0.5644 2.7049 2.7049 2.7064 2.7064 3.5054 3.5054 3.6148 3.6148 3.6162 3.6162 5.7360 5.7360 5.7379 5.7379 5.7903 5.7903 10.9283 10.9283 13.0889 13.0889 13.0915 13.0915 14.2079 14.2079 k = 0.3333 0.5774 0.0922 ( 2418 PWs) bands (ev): -11.3130 -11.3130 -11.3129 -11.3129 -7.3870 -7.3870 -5.4456 -5.4456 -5.4456 -5.4456 -3.7194 -3.7194 -3.7193 -3.7193 -2.0150 -2.0150 -2.0146 -2.0146 -0.7745 -0.7745 0.5774 0.5774 0.5940 0.5940 2.6012 2.6012 2.6027 2.6027 3.5270 3.5270 3.6872 3.6872 3.6886 3.6886 5.7479 5.7479 5.7486 5.7486 5.7508 5.7508 10.8725 10.8725 13.0482 13.0482 13.0509 13.0509 14.2324 14.2324 k = 0.3333 0.5774 0.1076 ( 2427 PWs) bands (ev): -11.2998 -11.2998 -11.2997 -11.2997 -7.3778 -7.3778 -5.5592 -5.5592 -5.5592 -5.5592 -3.6488 -3.6488 -3.6486 -3.6486 -1.9427 -1.9427 -1.9422 -1.9422 -0.8857 -0.8857 0.5927 0.5927 0.6939 0.6939 2.4961 2.4961 2.4976 2.4976 3.5525 3.5525 3.7553 3.7553 3.7567 3.7567 5.6995 5.6995 5.7631 5.7631 5.7651 5.7651 10.8091 10.8091 13.0027 13.0027 13.0053 13.0053 14.2594 14.2594 k = 0.3333 0.5774 0.1230 ( 2421 PWs) bands (ev): -11.2846 -11.2846 -11.2845 -11.2845 -7.3672 -7.3672 -5.6768 -5.6768 -5.6767 -5.6767 -3.5801 -3.5801 -3.5800 -3.5800 -1.8598 -1.8598 -1.8594 -1.8594 -0.9970 -0.9970 0.6105 0.6105 0.7920 0.7920 2.3900 2.3900 2.3915 2.3915 3.5820 3.5820 3.8189 3.8189 3.8203 3.8203 5.6444 5.6444 5.7796 5.7796 5.7815 5.7815 10.7393 10.7393 12.9531 12.9531 12.9557 12.9557 14.2885 14.2885 k = 0.3333 0.5774 0.1383 ( 2415 PWs) bands (ev): -11.2673 -11.2673 -11.2672 -11.2672 -7.3553 -7.3553 -5.7971 -5.7971 -5.7971 -5.7971 -3.5142 -3.5142 -3.5140 -3.5140 -1.7670 -1.7670 -1.7666 -1.7666 -1.1081 -1.1081 0.6305 0.6305 0.8880 0.8880 2.2829 2.2829 2.2844 2.2844 3.6154 3.6154 3.8779 3.8779 3.8793 3.8793 5.5833 5.5833 5.7977 5.7977 5.7997 5.7997 10.6638 10.6638 12.9001 12.9001 12.9027 12.9027 14.3192 14.3192 k = 0.3333 0.5774 0.1537 ( 2415 PWs) bands (ev): -11.2481 -11.2481 -11.2480 -11.2480 -7.3421 -7.3421 -5.9193 -5.9193 -5.9192 -5.9192 -3.4512 -3.4512 -3.4511 -3.4511 -1.6650 -1.6650 -1.6647 -1.6647 -1.2186 -1.2186 0.6529 0.6529 0.9814 0.9814 2.1751 2.1751 2.1766 2.1766 3.6526 3.6526 3.9320 3.9320 3.9334 3.9334 5.5167 5.5167 5.8173 5.8173 5.8193 5.8193 10.5838 10.5838 12.8444 12.8444 12.8470 12.8470 14.3514 14.3514 k = 0.3333 0.5774 0.1691 ( 2421 PWs) bands (ev): -11.2269 -11.2269 -11.2268 -11.2268 -7.3276 -7.3276 -6.0426 -6.0426 -6.0426 -6.0426 -3.3913 -3.3913 -3.3912 -3.3912 -1.5547 -1.5547 -1.5544 -1.5544 -1.3285 -1.3285 0.6776 0.6776 1.0720 1.0720 2.0668 2.0668 2.0683 2.0683 3.6936 3.6936 3.9811 3.9811 3.9825 3.9825 5.4449 5.4449 5.8381 5.8381 5.8401 5.8401 10.4999 10.4999 12.7863 12.7863 12.7889 12.7889 14.3848 14.3848 k = 0.3333 0.5774 0.1844 ( 2421 PWs) bands (ev): -11.2037 -11.2037 -11.2036 -11.2036 -7.3119 -7.3119 -6.1664 -6.1664 -6.1664 -6.1664 -3.3342 -3.3342 -3.3340 -3.3340 -1.4374 -1.4374 -1.4369 -1.4369 -1.4364 -1.4364 0.7047 0.7047 1.1598 1.1598 1.9582 1.9582 1.9597 1.9597 3.7383 3.7383 4.0251 4.0251 4.0265 4.0265 5.3686 5.3686 5.8599 5.8599 5.8619 5.8619 10.4130 10.4130 12.7264 12.7264 12.7291 12.7291 14.4193 14.4193 k = 0.3333 0.5774 0.1998 ( 2418 PWs) bands (ev): -11.1786 -11.1786 -11.1785 -11.1785 -7.2951 -7.2951 -6.2904 -6.2904 -6.2904 -6.2904 -3.2794 -3.2794 -3.2792 -3.2792 -1.5450 -1.5450 -1.3123 -1.3123 -1.3120 -1.3120 0.7340 0.7340 1.2444 1.2444 1.8494 1.8494 1.8509 1.8509 3.7866 3.7866 4.0640 4.0640 4.0653 4.0653 5.2880 5.2880 5.8824 5.8824 5.8845 5.8845 10.3238 10.3238 12.6653 12.6653 12.6679 12.6679 14.4549 14.4549 k = 0.3333 0.5774 0.2152 ( 2415 PWs) bands (ev): -11.1515 -11.1515 -11.1514 -11.1514 -7.2771 -7.2771 -6.4142 -6.4142 -6.4141 -6.4141 -3.2266 -3.2266 -3.2264 -3.2264 -1.6515 -1.6515 -1.1819 -1.1819 -1.1816 -1.1816 0.7656 0.7656 1.3258 1.3258 1.7407 1.7407 1.7423 1.7423 3.8383 3.8383 4.0976 4.0976 4.0989 4.0989 5.2036 5.2036 5.9054 5.9054 5.9075 5.9075 10.2330 10.2330 12.6031 12.6031 12.6057 12.6057 14.4915 14.4915 k = 0.3333 0.5774 0.2305 ( 2415 PWs) bands (ev): -11.1225 -11.1225 -11.1224 -11.1224 -7.2581 -7.2581 -6.5374 -6.5374 -6.5374 -6.5374 -3.1753 -3.1753 -3.1752 -3.1752 -1.7565 -1.7565 -1.0464 -1.0464 -1.0460 -1.0460 0.7995 0.7995 1.4038 1.4038 1.6323 1.6323 1.6338 1.6338 3.8931 3.8931 4.1259 4.1259 4.1272 4.1272 5.1159 5.1159 5.9286 5.9286 5.9308 5.9308 10.1412 10.1412 12.5403 12.5403 12.5429 12.5429 14.5291 14.5291 k = 0.3333 0.5774 0.2459 ( 2421 PWs) bands (ev): -11.0917 -11.0917 -11.0916 -11.0916 -7.2381 -7.2381 -6.6600 -6.6600 -6.6599 -6.6599 -3.1253 -3.1253 -3.1251 -3.1251 -1.8598 -1.8598 -0.9065 -0.9065 -0.9062 -0.9062 0.8356 0.8356 1.4784 1.4784 1.5242 1.5242 1.5257 1.5257 3.9509 3.9509 4.1488 4.1488 4.1500 4.1500 5.0252 5.0252 5.9517 5.9517 5.9539 5.9539 10.0489 10.0489 12.4771 12.4771 12.4798 12.4798 14.5677 14.5677 k = 0.3333 0.5774 0.2613 ( 2415 PWs) bands (ev): -11.0589 -11.0589 -11.0588 -11.0588 -7.2171 -7.2171 -6.7816 -6.7816 -6.7815 -6.7815 -3.0761 -3.0761 -3.0760 -3.0760 -1.9614 -1.9614 -0.7628 -0.7628 -0.7625 -0.7625 0.8741 0.8741 1.4167 1.4167 1.4182 1.4182 1.5495 1.5495 4.0114 4.0114 4.1663 4.1663 4.1675 4.1675 4.9319 4.9319 5.9745 5.9745 5.9768 5.9768 9.9565 9.9565 12.4140 12.4140 12.4166 12.4166 14.6076 14.6076 k = 0.3333 0.5774 0.2767 ( 2415 PWs) bands (ev): -11.0244 -11.0244 -11.0243 -11.0243 -7.1953 -7.1953 -6.9021 -6.9021 -6.9020 -6.9020 -3.0276 -3.0276 -3.0274 -3.0274 -2.0610 -2.0610 -0.6160 -0.6160 -0.6157 -0.6157 0.9147 0.9147 1.3099 1.3099 1.3114 1.3114 1.6172 1.6172 4.0743 4.0743 4.1783 4.1783 4.1795 4.1795 4.8365 4.8365 5.9968 5.9968 5.9990 5.9990 9.8646 9.8646 12.3510 12.3510 12.3536 12.3536 14.6486 14.6486 k = 0.3333 0.5774 0.2920 ( 2409 PWs) bands (ev): -10.9880 -10.9880 -10.9880 -10.9880 -7.1728 -7.1728 -7.0212 -7.0212 -7.0212 -7.0212 -2.9793 -2.9793 -2.9791 -2.9791 -2.1585 -2.1585 -0.4665 -0.4665 -0.4662 -0.4662 0.9576 0.9576 1.2040 1.2040 1.2055 1.2055 1.6815 1.6815 4.1392 4.1392 4.1849 4.1849 4.1860 4.1860 4.7392 4.7392 6.0182 6.0182 6.0206 6.0206 9.7735 9.7735 12.2885 12.2885 12.2911 12.2911 14.6909 14.6909 k = 0.3333 0.5774 0.3074 ( 2409 PWs) bands (ev): -10.9500 -10.9500 -10.9499 -10.9499 -7.1496 -7.1496 -7.1390 -7.1390 -7.1389 -7.1389 -2.9312 -2.9312 -2.9311 -2.9311 -2.2537 -2.2537 -0.3149 -0.3149 -0.3146 -0.3146 1.0025 1.0025 1.0992 1.0992 1.1007 1.1007 1.7423 1.7423 4.1857 4.1857 4.1867 4.1867 4.2057 4.2057 4.6403 4.6403 6.0388 6.0388 6.0412 6.0412 9.6836 9.6836 12.2267 12.2267 12.2293 12.2293 14.7345 14.7345 k = 0.3333 0.5774 0.3228 ( 2409 PWs) bands (ev): -10.9103 -10.9103 -10.9102 -10.9102 -7.2551 -7.2551 -7.2550 -7.2550 -7.1258 -7.1258 -2.8831 -2.8831 -2.8830 -2.8830 -2.3465 -2.3465 -0.1616 -0.1616 -0.1613 -0.1613 0.9956 0.9956 0.9972 0.9972 1.0497 1.0497 1.7998 1.7998 4.1807 4.1807 4.1817 4.1817 4.2734 4.2734 4.5402 4.5402 6.0583 6.0583 6.0608 6.0608 9.5952 9.5952 12.1658 12.1658 12.1684 12.1684 14.7796 14.7796 k = 0.3333 0.5774 0.3381 ( 2415 PWs) bands (ev): -10.8689 -10.8689 -10.8688 -10.8688 -7.3695 -7.3695 -7.3694 -7.3694 -7.1016 -7.1016 -2.8350 -2.8350 -2.8348 -2.8348 -2.4366 -2.4366 -0.0069 -0.0069 -0.0067 -0.0067 0.8935 0.8935 0.8951 0.8951 1.0989 1.0989 1.8541 1.8541 4.1699 4.1699 4.1708 4.1708 4.3420 4.3420 4.4392 4.4392 6.0767 6.0767 6.0792 6.0792 9.5087 9.5087 12.1060 12.1060 12.1086 12.1086 14.8261 14.8261 k = 0.3333 0.5774 0.3535 ( 2406 PWs) bands (ev): -10.8260 -10.8260 -10.8259 -10.8259 -7.4820 -7.4820 -7.4819 -7.4819 -7.0771 -7.0771 -2.7866 -2.7866 -2.7865 -2.7865 -2.5240 -2.5240 0.1485 0.1485 0.1488 0.1488 0.7932 0.7932 0.7948 0.7948 1.1502 1.1502 1.9053 1.9053 4.1532 4.1532 4.1541 4.1541 4.3376 4.3376 4.4110 4.4110 6.0939 6.0939 6.0965 6.0965 9.4244 9.4244 12.0477 12.0477 12.0503 12.0503 14.8741 14.8741 k = 0.3333 0.5774 0.3689 ( 2406 PWs) bands (ev): -10.7816 -10.7816 -10.7816 -10.7816 -7.5924 -7.5924 -7.5924 -7.5924 -7.0524 -7.0524 -2.7382 -2.7382 -2.7381 -2.7381 -2.6084 -2.6084 0.3043 0.3043 0.3046 0.3046 0.6952 0.6952 0.6968 0.6968 1.2036 1.2036 1.9533 1.9533 4.1305 4.1305 4.1313 4.1313 4.2356 4.2356 4.4799 4.4799 6.1099 6.1099 6.1125 6.1125 9.3426 9.3426 11.9910 11.9910 11.9936 11.9936 14.9237 14.9237 k = 0.3333 0.5774 0.3842 ( 2406 PWs) bands (ev): -10.7359 -10.7359 -10.7359 -10.7359 -7.7007 -7.7007 -7.7006 -7.7006 -7.0277 -7.0277 -2.6901 -2.6901 -2.6896 -2.6896 -2.6891 -2.6891 0.4576 0.4576 0.4581 0.4581 0.6019 0.6019 0.6033 0.6033 1.2589 1.2589 1.9982 1.9982 4.1017 4.1017 4.1023 4.1023 4.1336 4.1336 4.5482 4.5482 6.1247 6.1247 6.1274 6.1274 9.2634 9.2634 11.9360 11.9360 11.9386 11.9386 14.9748 14.9748 k = 0.3333 0.5774 0.3996 ( 2403 PWs) bands (ev): -10.6890 -10.6890 -10.6889 -10.6889 -7.8066 -7.8066 -7.8066 -7.8066 -7.0031 -7.0031 -2.7676 -2.7676 -2.6410 -2.6410 -2.6409 -2.6409 0.4957 0.4957 0.4975 0.4975 0.6261 0.6261 0.6263 0.6263 1.3161 1.3161 2.0403 2.0403 4.0313 4.0313 4.0669 4.0669 4.0677 4.0677 4.6155 4.6155 6.1383 6.1383 6.1410 6.1410 9.1873 9.1873 11.8831 11.8831 11.8857 11.8857 15.0275 15.0275 k = 0.3333 0.5774 0.4150 ( 2403 PWs) bands (ev): -10.6410 -10.6410 -10.6409 -10.6409 -7.9100 -7.9100 -7.9099 -7.9099 -6.9787 -6.9787 -2.8420 -2.8420 -2.5925 -2.5925 -2.5924 -2.5924 0.4077 0.4077 0.4095 0.4095 0.7788 0.7788 0.7790 0.7790 1.3751 1.3751 2.0794 2.0794 3.9297 3.9297 4.0256 4.0256 4.0263 4.0263 4.6813 4.6813 6.1507 6.1507 6.1535 6.1535 9.1144 9.1144 11.8323 11.8323 11.8349 11.8349 15.0816 15.0816 k = 0.3333 0.5774 0.4303 ( 2397 PWs) bands (ev): -10.5921 -10.5921 -10.5920 -10.5920 -8.0105 -8.0105 -8.0104 -8.0104 -6.9549 -6.9549 -2.9126 -2.9126 -2.5442 -2.5442 -2.5442 -2.5442 0.3193 0.3193 0.3211 0.3211 0.9342 0.9342 0.9345 0.9345 1.4358 1.4358 2.1158 2.1158 3.8287 3.8287 3.9781 3.9781 3.9788 3.9788 4.7453 4.7453 6.1621 6.1621 6.1649 6.1649 9.0451 9.0451 11.7840 11.7840 11.7865 11.7865 15.1372 15.1372 k = 0.3333 0.5774 0.4457 ( 2391 PWs) bands (ev): -10.5426 -10.5426 -10.5425 -10.5425 -8.1080 -8.1080 -8.1079 -8.1079 -6.9316 -6.9316 -2.9792 -2.9792 -2.4964 -2.4964 -2.4963 -2.4963 0.2335 0.2335 0.2353 0.2353 1.0894 1.0894 1.0896 1.0896 1.4982 1.4982 2.1494 2.1494 3.7286 3.7286 3.9242 3.9242 3.9248 3.9248 4.8068 4.8068 6.1724 6.1724 6.1752 6.1752 8.9795 8.9795 11.7383 11.7383 11.7408 11.7408 15.1940 15.1940 k = 0.3333 0.5774 0.4611 ( 2385 PWs) bands (ev): -10.4926 -10.4926 -10.4926 -10.4926 -8.2021 -8.2021 -8.2020 -8.2020 -6.9092 -6.9092 -3.0416 -3.0416 -2.4493 -2.4493 -2.4492 -2.4492 0.1510 0.1510 0.1529 0.1529 1.2436 1.2436 1.2439 1.2439 1.5620 1.5620 2.1802 2.1802 3.6296 3.6296 3.8640 3.8640 3.8646 3.8646 4.8655 4.8655 6.1816 6.1816 6.1845 6.1845 8.9179 8.9179 11.6954 11.6954 11.6979 11.6979 15.2518 15.2518 k = 0.3333 0.5774 0.4765 ( 2385 PWs) bands (ev): -10.4427 -10.4427 -10.4426 -10.4426 -8.2925 -8.2925 -8.2924 -8.2924 -6.8878 -6.8878 -3.0996 -3.0996 -2.4033 -2.4033 -2.4032 -2.4032 0.0724 0.0724 0.0743 0.0743 1.3966 1.3966 1.3968 1.3968 1.6270 1.6270 2.2083 2.2083 3.5321 3.5321 3.7975 3.7975 3.7981 3.7981 4.9208 4.9208 6.1900 6.1900 6.1929 6.1929 8.8606 8.8606 11.6555 11.6555 11.6580 11.6580 15.3104 15.3104 k = 0.3333 0.5774 0.4918 ( 2391 PWs) bands (ev): -10.3932 -10.3932 -10.3931 -10.3931 -8.3787 -8.3787 -8.3786 -8.3786 -6.8676 -6.8676 -3.1529 -3.1529 -2.3587 -2.3587 -2.3586 -2.3586 -0.0018 -0.0018 0.0001 0.0001 1.5480 1.5480 1.5483 1.5483 1.6932 1.6932 2.2338 2.2338 3.4362 3.4362 3.7248 3.7248 3.7253 3.7253 4.9726 4.9726 6.1975 6.1975 6.2004 6.2004 8.8079 8.8079 11.6187 11.6187 11.6212 11.6212 15.3696 15.3696 k = 0.3333 0.5774 0.5072 ( 2388 PWs) bands (ev): -10.3447 -10.3447 -10.3446 -10.3446 -8.4601 -8.4601 -8.4600 -8.4600 -6.8489 -6.8489 -3.2014 -3.2014 -2.3162 -2.3162 -2.3160 -2.3160 -0.0711 -0.0711 -0.0692 -0.0692 1.6976 1.6976 1.6979 1.6979 1.7599 1.7599 2.2566 2.2566 3.3428 3.3428 3.6461 3.6461 3.6466 3.6466 5.0202 5.0202 6.2041 6.2041 6.2071 6.2071 8.7598 8.7598 11.5853 11.5853 11.5877 11.5877 15.4287 15.4288 k = 0.3333 0.5774 0.5226 ( 2394 PWs) bands (ev): -10.2977 -10.2977 -10.2977 -10.2977 -8.5360 -8.5360 -8.5359 -8.5359 -6.8318 -6.8318 -3.2448 -3.2448 -2.2762 -2.2762 -2.2759 -2.2759 -0.1350 -0.1350 -0.1330 -0.1330 1.8264 1.8264 1.8450 1.8450 1.8454 1.8454 2.2766 2.2766 3.2522 3.2522 3.5615 3.5615 3.5619 3.5619 5.0630 5.0630 6.2098 6.2098 6.2129 6.2129 8.7168 8.7168 11.5553 11.5553 11.5578 11.5578 15.4872 15.4872 k = 0.3333 0.5774 0.5379 ( 2388 PWs) bands (ev): -10.2533 -10.2533 -10.2532 -10.2532 -8.6056 -8.6056 -8.6056 -8.6056 -6.8165 -6.8165 -3.2829 -3.2829 -2.2393 -2.2393 -2.2390 -2.2390 -0.1925 -0.1925 -0.1905 -0.1905 1.8927 1.8927 1.9899 1.9899 1.9902 1.9902 2.2940 2.2940 3.1653 3.1653 3.4713 3.4713 3.4717 3.4717 5.1011 5.1011 6.2148 6.2148 6.2179 6.2179 8.6790 8.6790 11.5291 11.5291 11.5316 11.5316 15.5442 15.5442 k = 0.3333 0.5774 0.5533 ( 2388 PWs) bands (ev): -10.2124 -10.2124 -10.2123 -10.2123 -8.6679 -8.6679 -8.6678 -8.6678 -6.8032 -6.8032 -3.3155 -3.3155 -2.2063 -2.2063 -2.2060 -2.2060 -0.2431 -0.2431 -0.2410 -0.2410 1.9571 1.9571 2.1318 2.1318 2.1321 2.1321 2.3088 2.3088 3.0833 3.0833 3.3757 3.3757 3.3760 3.3760 5.1340 5.1340 6.2190 6.2190 6.2221 6.2221 8.6466 8.6466 11.5067 11.5067 11.5091 11.5091 15.5985 15.5985 k = 0.3333 0.5774 0.5687 ( 2382 PWs) bands (ev): -10.1761 -10.1761 -10.1760 -10.1760 -8.7216 -8.7216 -8.7215 -8.7215 -6.7921 -6.7921 -3.3425 -3.3425 -2.1779 -2.1779 -2.1775 -2.1775 -0.2859 -0.2859 -0.2838 -0.2838 2.0183 2.0183 2.2704 2.2704 2.2707 2.2707 2.3208 2.3208 3.0078 3.0078 3.2752 3.2752 3.2755 3.2755 5.1613 5.1613 6.2225 6.2225 6.2256 6.2256 8.6198 8.6198 11.4882 11.4882 11.4906 11.4906 15.6486 15.6486 k = 0.3333 0.5774 0.5840 ( 2379 PWs) bands (ev): -10.1458 -10.1458 -10.1457 -10.1457 -8.7655 -8.7655 -8.7654 -8.7654 -6.7833 -6.7833 -3.3636 -3.3636 -2.1548 -2.1548 -2.1545 -2.1545 -0.3202 -0.3202 -0.3181 -0.3181 2.0733 2.0733 2.3302 2.3302 2.4047 2.4047 2.4050 2.4050 2.9415 2.9415 3.1706 3.1706 3.1709 3.1709 5.1829 5.1829 6.2252 6.2252 6.2283 6.2283 8.5987 8.5987 11.4737 11.4737 11.4761 11.4761 15.6921 15.6921 k = 0.3333 0.5774 0.5994 ( 2379 PWs) bands (ev): -10.1229 -10.1229 -10.1228 -10.1228 -8.7981 -8.7981 -8.7980 -8.7980 -6.7769 -6.7769 -3.3788 -3.3788 -2.1378 -2.1378 -2.1374 -2.1374 -0.3453 -0.3453 -0.3432 -0.3432 2.1185 2.1185 2.3370 2.3370 2.5327 2.5327 2.5331 2.5331 2.8882 2.8882 3.0638 3.0638 3.0640 3.0640 5.1984 5.1984 6.2271 6.2271 6.2302 6.2302 8.5836 8.5836 11.4632 11.4632 11.4657 11.4657 15.7264 15.7264 k = 0.3333 0.5774 0.6148 ( 2379 PWs) bands (ev): -10.1086 -10.1086 -10.1085 -10.1085 -8.8182 -8.8182 -8.8182 -8.8182 -6.7730 -6.7730 -3.3879 -3.3879 -2.1273 -2.1273 -2.1269 -2.1269 -0.3606 -0.3606 -0.3584 -0.3584 2.1489 2.1489 2.3410 2.3410 2.6480 2.6480 2.6484 2.6484 2.8528 2.8528 2.9612 2.9612 2.9614 2.9614 5.2078 5.2078 6.2283 6.2283 6.2314 6.2314 8.5745 8.5745 11.4570 11.4570 11.4594 11.4594 15.7486 15.7487 k = 0.3333 0.5774 0.6302 ( 2388 PWs) bands (ev): -10.1037 -10.1037 -10.1036 -10.1036 -8.8251 -8.8251 -8.8250 -8.8250 -6.7717 -6.7717 -3.3910 -3.3910 -2.1238 -2.1238 -2.1234 -2.1234 -0.3658 -0.3658 -0.3636 -0.3636 2.1598 2.1598 2.3424 2.3424 2.7109 2.7109 2.7114 2.7114 2.8403 2.8403 2.9025 2.9025 2.9025 2.9025 5.2109 5.2109 6.2286 6.2286 6.2317 6.2317 8.5714 8.5714 11.4549 11.4549 11.4573 11.4573 15.7563 15.7563 Writing output data file C.save init_run : 0.15s CPU 0.37s WALL ( 1 calls) electrons : 111.91s CPU 114.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 111.90s CPU 114.76s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 338 calls) cegterg : 102.38s CPU 104.03s WALL ( 616 calls) Called by sum_band: Called by *egterg: h_psi : 48.57s CPU 49.50s WALL ( 9654 calls) s_psi : 2.58s CPU 2.60s WALL ( 9654 calls) g_psi : 0.14s CPU 0.14s WALL ( 8700 calls) cdiaghg : 49.96s CPU 50.63s WALL ( 9038 calls) cegterg:over : 3.36s CPU 3.44s WALL ( 8700 calls) cegterg:upda : 2.26s CPU 2.37s WALL ( 8700 calls) cegterg:last : 1.45s CPU 1.50s WALL ( 1292 calls) cdiaghg:chol : 2.38s CPU 2.59s WALL ( 9038 calls) cdiaghg:inve : 1.94s CPU 1.77s WALL ( 9038 calls) cdiaghg:para : 2.64s CPU 2.75s WALL ( 18076 calls) Called by h_psi: h_psi:vloc : 41.11s CPU 41.92s WALL ( 9654 calls) h_psi:vnl : 7.31s CPU 7.45s WALL ( 9654 calls) add_vuspsi : 3.05s CPU 3.06s WALL ( 9654 calls) General routines calbec : 4.24s CPU 4.36s WALL ( 9654 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 37.66s CPU 38.47s WALL ( 787056 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 676 calls) Parallel routines fft_scatter : 17.35s CPU 17.89s WALL ( 787079 calls) PWSCF : 2m 2.46s CPU 2m31.14s WALL This run was terminated on: 17:15:42 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=