Program PWSCF v.5.1.1 starts on 17Jul2015 at 14:29: 9 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./BiPt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 23 6 2833 653 104 Max 62 24 7 2838 676 111 Sum 1969 745 223 90753 21199 3473 bravais-lattice index = 14 lattice parameter (alat) = 8.1542 a.u. unit-cell volume = 597.3943 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.154168 celldm(2)= 1.000000 celldm(3)= 1.272306 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.272306 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.785974 ) PseudoPot. # 1 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Bi 5.00 208.98040 Bi( 1.00) Pt 10.00 195.08400 Pt( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6361530 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6361530 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6361530 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6361530 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6361530 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6361530 ) 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 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6361530 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6361530 ) 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 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6361530 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6361530 ) 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 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6361530 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6361530 ) 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 C2 2C3 -2C3 2C6 -2C6 3C2' 3C2'' i -i s_h -C2 -3C2' -3C2' -s_h G_7+ 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 2.00 -2.00 0.00 G_8+ 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 2.00 -2.00 0.00 G_9+ 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 -2.00 2.00 0.00 G_8- 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 -2.00 2.00 0.00 G_9- 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 -2.00 2.00 0.00 2S6 -2S6 2S3 -2S3 3s_v 3s_d -3s_v -3s_d G_7+ 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8+ 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9+ -2.00 2.00 0.00 0.00 0.00 0.00 G_7- -1.00 1.00 -1.73 1.73 0.00 0.00 G_8- -1.00 1.00 1.73 -1.73 0.00 0.00 G_9- 2.00 -2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 3C2'-3C2' 3 -3 9 10 -10 -9 3C2''-3C2' 4 -4 12 -11 11 -12 2C6 5 6 2C3 7 8 i 13 s_h -s_h 14 -14 3s_v-3s_v 15 -15 21 22 -22 -21 3s_d-3s_d 16 -16 24 -23 23 -24 2S3 17 18 2S6 19 20 -E -1 -2C6 -5 -6 -2C3 -7 -8 -i -13 -2S3 -17 -18 -2S6 -19 -20 Cartesian axes number of k points= 330 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0030303 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0030303 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0030303 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0030303 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0030303 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0030303 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0030303 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0030303 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0030303 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0030303 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0030303 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0030303 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0030303 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0030303 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0030303 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0030303 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0030303 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0030303 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0030303 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0030303 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0030303 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0030303 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0030303 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0030303 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0030303 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0030303 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0030303 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0030303 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0030303 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0030303 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0030303 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0030303 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0030303 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0030303 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0030303 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0030303 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0030303 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0030303 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0030303 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0030303 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0030303 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0030303 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030303 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030303 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0030303 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0030303 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0030303 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0030303 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0030303 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0030303 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0030303 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0030303 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0030303 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0030303 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0030303 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0030303 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0030303 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0030303 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0030303 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0030303 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0030303 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0030303 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0030303 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0030303 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0030303 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0030303 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0030303 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0030303 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030303 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030303 k( 72) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0030303 k( 73) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0030303 k( 74) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0030303 k( 75) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0030303 k( 76) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0030303 k( 77) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0030303 k( 78) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0030303 k( 79) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0030303 k( 80) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0030303 k( 81) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0030303 k( 82) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0030303 k( 83) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0030303 k( 84) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0030303 k( 85) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0030303 k( 86) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0030303 k( 87) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0030303 k( 88) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0030303 k( 89) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0030303 k( 90) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0030303 k( 91) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0030303 k( 92) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0030303 k( 93) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0030303 k( 94) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0030303 k( 95) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0030303 k( 96) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0030303 k( 97) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0030303 k( 98) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0030303 k( 99) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0030303 k( 100) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0030303 k( 101) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0030303 k( 102) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0030303 k( 103) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0030303 k( 104) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0030303 k( 105) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0030303 k( 106) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0030303 k( 107) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0030303 k( 108) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0030303 k( 109) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0030303 k( 110) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0030303 k( 111) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0030303 k( 112) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0030303 k( 113) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0030303 k( 114) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0030303 k( 115) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0030303 k( 116) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0030303 k( 117) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0030303 k( 118) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0030303 k( 119) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0030303 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 122) = ( 0.0000000 0.0000000 0.0135513), wk = 0.0030303 k( 123) = ( 0.0000000 0.0000000 0.0271026), wk = 0.0030303 k( 124) = ( 0.0000000 0.0000000 0.0406539), wk = 0.0030303 k( 125) = ( 0.0000000 0.0000000 0.0542051), wk = 0.0030303 k( 126) = ( 0.0000000 0.0000000 0.0677564), wk = 0.0030303 k( 127) = ( 0.0000000 0.0000000 0.0813077), wk = 0.0030303 k( 128) = ( 0.0000000 0.0000000 0.0948590), wk = 0.0030303 k( 129) = ( 0.0000000 0.0000000 0.1084103), wk = 0.0030303 k( 130) = ( 0.0000000 0.0000000 0.1219616), wk = 0.0030303 k( 131) = ( 0.0000000 0.0000000 0.1355128), wk = 0.0030303 k( 132) = ( 0.0000000 0.0000000 0.1490641), wk = 0.0030303 k( 133) = ( 0.0000000 0.0000000 0.1626154), wk = 0.0030303 k( 134) = ( 0.0000000 0.0000000 0.1761667), wk = 0.0030303 k( 135) = ( 0.0000000 0.0000000 0.1897180), wk = 0.0030303 k( 136) = ( 0.0000000 0.0000000 0.2032693), wk = 0.0030303 k( 137) = ( 0.0000000 0.0000000 0.2168206), wk = 0.0030303 k( 138) = ( 0.0000000 0.0000000 0.2303718), wk = 0.0030303 k( 139) = ( 0.0000000 0.0000000 0.2439231), wk = 0.0030303 k( 140) = ( 0.0000000 0.0000000 0.2574744), wk = 0.0030303 k( 141) = ( 0.0000000 0.0000000 0.2710257), wk = 0.0030303 k( 142) = ( 0.0000000 0.0000000 0.2845770), wk = 0.0030303 k( 143) = ( 0.0000000 0.0000000 0.2981283), wk = 0.0030303 k( 144) = ( 0.0000000 0.0000000 0.3116795), wk = 0.0030303 k( 145) = ( 0.0000000 0.0000000 0.3252308), wk = 0.0030303 k( 146) = ( 0.0000000 0.0000000 0.3387821), wk = 0.0030303 k( 147) = ( 0.0000000 0.0000000 0.3523334), wk = 0.0030303 k( 148) = ( 0.0000000 0.0000000 0.3658847), wk = 0.0030303 k( 149) = ( 0.0000000 0.0000000 0.3794360), wk = 0.0030303 k( 150) = ( 0.0000000 0.0000000 0.3929872), wk = 0.0030303 k( 151) = ( 0.0000000 0.0000000 0.3929872), wk = 0.0030303 k( 152) = ( 0.0116279 0.0067134 0.3929872), wk = 0.0030303 k( 153) = ( 0.0232558 0.0134267 0.3929872), wk = 0.0030303 k( 154) = ( 0.0348837 0.0201401 0.3929872), wk = 0.0030303 k( 155) = ( 0.0465116 0.0268535 0.3929872), wk = 0.0030303 k( 156) = ( 0.0581395 0.0335669 0.3929872), wk = 0.0030303 k( 157) = ( 0.0697674 0.0402803 0.3929872), wk = 0.0030303 k( 158) = ( 0.0813954 0.0469936 0.3929872), wk = 0.0030303 k( 159) = ( 0.0930233 0.0537070 0.3929872), wk = 0.0030303 k( 160) = ( 0.1046512 0.0604204 0.3929872), wk = 0.0030303 k( 161) = ( 0.1162791 0.0671338 0.3929872), wk = 0.0030303 k( 162) = ( 0.1279070 0.0738471 0.3929872), wk = 0.0030303 k( 163) = ( 0.1395349 0.0805605 0.3929872), wk = 0.0030303 k( 164) = ( 0.1511628 0.0872739 0.3929872), wk = 0.0030303 k( 165) = ( 0.1627907 0.0939873 0.3929872), wk = 0.0030303 k( 166) = ( 0.1744186 0.1007006 0.3929872), wk = 0.0030303 k( 167) = ( 0.1860465 0.1074140 0.3929872), wk = 0.0030303 k( 168) = ( 0.1976744 0.1141274 0.3929872), wk = 0.0030303 k( 169) = ( 0.2093023 0.1208408 0.3929872), wk = 0.0030303 k( 170) = ( 0.2209302 0.1275541 0.3929872), wk = 0.0030303 k( 171) = ( 0.2325581 0.1342675 0.3929872), wk = 0.0030303 k( 172) = ( 0.2441860 0.1409809 0.3929872), wk = 0.0030303 k( 173) = ( 0.2558140 0.1476943 0.3929872), wk = 0.0030303 k( 174) = ( 0.2674419 0.1544076 0.3929872), wk = 0.0030303 k( 175) = ( 0.2790698 0.1611210 0.3929872), wk = 0.0030303 k( 176) = ( 0.2906977 0.1678344 0.3929872), wk = 0.0030303 k( 177) = ( 0.3023256 0.1745478 0.3929872), wk = 0.0030303 k( 178) = ( 0.3139535 0.1812611 0.3929872), wk = 0.0030303 k( 179) = ( 0.3255814 0.1879745 0.3929872), wk = 0.0030303 k( 180) = ( 0.3372093 0.1946879 0.3929872), wk = 0.0030303 k( 181) = ( 0.3488372 0.2014013 0.3929872), wk = 0.0030303 k( 182) = ( 0.3604651 0.2081146 0.3929872), wk = 0.0030303 k( 183) = ( 0.3720930 0.2148280 0.3929872), wk = 0.0030303 k( 184) = ( 0.3837209 0.2215414 0.3929872), wk = 0.0030303 k( 185) = ( 0.3953488 0.2282548 0.3929872), wk = 0.0030303 k( 186) = ( 0.4069767 0.2349681 0.3929872), wk = 0.0030303 k( 187) = ( 0.4186047 0.2416815 0.3929872), wk = 0.0030303 k( 188) = ( 0.4302326 0.2483949 0.3929872), wk = 0.0030303 k( 189) = ( 0.4418605 0.2551083 0.3929872), wk = 0.0030303 k( 190) = ( 0.4534884 0.2618216 0.3929872), wk = 0.0030303 k( 191) = ( 0.4651163 0.2685350 0.3929872), wk = 0.0030303 k( 192) = ( 0.4767442 0.2752484 0.3929872), wk = 0.0030303 k( 193) = ( 0.4883721 0.2819618 0.3929872), wk = 0.0030303 k( 194) = ( 0.5000000 0.2886751 0.3929872), wk = 0.0030303 k( 195) = ( 0.5000000 0.2886751 0.3929872), wk = 0.0030303 k( 196) = ( 0.4933333 0.3002221 0.3929872), wk = 0.0030303 k( 197) = ( 0.4866667 0.3117692 0.3929872), wk = 0.0030303 k( 198) = ( 0.4800000 0.3233162 0.3929872), wk = 0.0030303 k( 199) = ( 0.4733333 0.3348632 0.3929872), wk = 0.0030303 k( 200) = ( 0.4666667 0.3464102 0.3929872), wk = 0.0030303 k( 201) = ( 0.4600000 0.3579572 0.3929872), wk = 0.0030303 k( 202) = ( 0.4533333 0.3695042 0.3929872), wk = 0.0030303 k( 203) = ( 0.4466667 0.3810512 0.3929872), wk = 0.0030303 k( 204) = ( 0.4400000 0.3925982 0.3929872), wk = 0.0030303 k( 205) = ( 0.4333333 0.4041452 0.3929872), wk = 0.0030303 k( 206) = ( 0.4266667 0.4156922 0.3929872), wk = 0.0030303 k( 207) = ( 0.4200000 0.4272392 0.3929872), wk = 0.0030303 k( 208) = ( 0.4133333 0.4387862 0.3929872), wk = 0.0030303 k( 209) = ( 0.4066667 0.4503332 0.3929872), wk = 0.0030303 k( 210) = ( 0.4000000 0.4618802 0.3929872), wk = 0.0030303 k( 211) = ( 0.3933333 0.4734272 0.3929872), wk = 0.0030303 k( 212) = ( 0.3866667 0.4849742 0.3929872), wk = 0.0030303 k( 213) = ( 0.3800000 0.4965212 0.3929872), wk = 0.0030303 k( 214) = ( 0.3733333 0.5080682 0.3929872), wk = 0.0030303 k( 215) = ( 0.3666667 0.5196152 0.3929872), wk = 0.0030303 k( 216) = ( 0.3600000 0.5311622 0.3929872), wk = 0.0030303 k( 217) = ( 0.3533333 0.5427092 0.3929872), wk = 0.0030303 k( 218) = ( 0.3466667 0.5542563 0.3929872), wk = 0.0030303 k( 219) = ( 0.3400000 0.5658033 0.3929872), wk = 0.0030303 k( 220) = ( 0.3333333 0.5773503 0.3929872), wk = 0.0030303 k( 221) = ( 0.3333333 0.5773503 0.3929872), wk = 0.0030303 k( 222) = ( 0.3265306 0.5655676 0.3929872), wk = 0.0030303 k( 223) = ( 0.3197279 0.5537850 0.3929872), wk = 0.0030303 k( 224) = ( 0.3129252 0.5420023 0.3929872), wk = 0.0030303 k( 225) = ( 0.3061224 0.5302196 0.3929872), wk = 0.0030303 k( 226) = ( 0.2993197 0.5184370 0.3929872), wk = 0.0030303 k( 227) = ( 0.2925170 0.5066543 0.3929872), wk = 0.0030303 k( 228) = ( 0.2857143 0.4948717 0.3929872), wk = 0.0030303 k( 229) = ( 0.2789116 0.4830890 0.3929872), wk = 0.0030303 k( 230) = ( 0.2721088 0.4713063 0.3929872), wk = 0.0030303 k( 231) = ( 0.2653061 0.4595237 0.3929872), wk = 0.0030303 k( 232) = ( 0.2585034 0.4477410 0.3929872), wk = 0.0030303 k( 233) = ( 0.2517007 0.4359584 0.3929872), wk = 0.0030303 k( 234) = ( 0.2448980 0.4241757 0.3929872), wk = 0.0030303 k( 235) = ( 0.2380952 0.4123931 0.3929872), wk = 0.0030303 k( 236) = ( 0.2312925 0.4006104 0.3929872), wk = 0.0030303 k( 237) = ( 0.2244898 0.3888277 0.3929872), wk = 0.0030303 k( 238) = ( 0.2176871 0.3770451 0.3929872), wk = 0.0030303 k( 239) = ( 0.2108843 0.3652624 0.3929872), wk = 0.0030303 k( 240) = ( 0.2040816 0.3534798 0.3929872), wk = 0.0030303 k( 241) = ( 0.1972789 0.3416971 0.3929872), wk = 0.0030303 k( 242) = ( 0.1904762 0.3299144 0.3929872), wk = 0.0030303 k( 243) = ( 0.1836735 0.3181318 0.3929872), wk = 0.0030303 k( 244) = ( 0.1768707 0.3063491 0.3929872), wk = 0.0030303 k( 245) = ( 0.1700680 0.2945665 0.3929872), wk = 0.0030303 k( 246) = ( 0.1632653 0.2827838 0.3929872), wk = 0.0030303 k( 247) = ( 0.1564626 0.2710012 0.3929872), wk = 0.0030303 k( 248) = ( 0.1496599 0.2592185 0.3929872), wk = 0.0030303 k( 249) = ( 0.1428571 0.2474358 0.3929872), wk = 0.0030303 k( 250) = ( 0.1360544 0.2356532 0.3929872), wk = 0.0030303 k( 251) = ( 0.1292517 0.2238705 0.3929872), wk = 0.0030303 k( 252) = ( 0.1224490 0.2120879 0.3929872), wk = 0.0030303 k( 253) = ( 0.1156463 0.2003052 0.3929872), wk = 0.0030303 k( 254) = ( 0.1088435 0.1885225 0.3929872), wk = 0.0030303 k( 255) = ( 0.1020408 0.1767399 0.3929872), wk = 0.0030303 k( 256) = ( 0.0952381 0.1649572 0.3929872), wk = 0.0030303 k( 257) = ( 0.0884354 0.1531746 0.3929872), wk = 0.0030303 k( 258) = ( 0.0816327 0.1413919 0.3929872), wk = 0.0030303 k( 259) = ( 0.0748299 0.1296092 0.3929872), wk = 0.0030303 k( 260) = ( 0.0680272 0.1178266 0.3929872), wk = 0.0030303 k( 261) = ( 0.0612245 0.1060439 0.3929872), wk = 0.0030303 k( 262) = ( 0.0544218 0.0942613 0.3929872), wk = 0.0030303 k( 263) = ( 0.0476191 0.0824786 0.3929872), wk = 0.0030303 k( 264) = ( 0.0408163 0.0706960 0.3929872), wk = 0.0030303 k( 265) = ( 0.0340136 0.0589133 0.3929872), wk = 0.0030303 k( 266) = ( 0.0272109 0.0471306 0.3929872), wk = 0.0030303 k( 267) = ( 0.0204082 0.0353480 0.3929872), wk = 0.0030303 k( 268) = ( 0.0136054 0.0235653 0.3929872), wk = 0.0030303 k( 269) = ( 0.0068027 0.0117827 0.3929872), wk = 0.0030303 k( 270) = ( 0.0000000 0.0000000 0.3929872), wk = 0.0030303 k( 271) = ( 0.5000000 0.2886751 0.3929872), wk = 0.0030303 k( 272) = ( 0.5000000 0.2886751 0.3794360), wk = 0.0030303 k( 273) = ( 0.5000000 0.2886751 0.3658847), wk = 0.0030303 k( 274) = ( 0.5000000 0.2886751 0.3523334), wk = 0.0030303 k( 275) = ( 0.5000000 0.2886751 0.3387821), wk = 0.0030303 k( 276) = ( 0.5000000 0.2886751 0.3252308), wk = 0.0030303 k( 277) = ( 0.5000000 0.2886751 0.3116795), wk = 0.0030303 k( 278) = ( 0.5000000 0.2886751 0.2981283), wk = 0.0030303 k( 279) = ( 0.5000000 0.2886751 0.2845770), wk = 0.0030303 k( 280) = ( 0.5000000 0.2886751 0.2710257), wk = 0.0030303 k( 281) = ( 0.5000000 0.2886751 0.2574744), wk = 0.0030303 k( 282) = ( 0.5000000 0.2886751 0.2439231), wk = 0.0030303 k( 283) = ( 0.5000000 0.2886751 0.2303718), wk = 0.0030303 k( 284) = ( 0.5000000 0.2886751 0.2168206), wk = 0.0030303 k( 285) = ( 0.5000000 0.2886751 0.2032693), wk = 0.0030303 k( 286) = ( 0.5000000 0.2886751 0.1897180), wk = 0.0030303 k( 287) = ( 0.5000000 0.2886751 0.1761667), wk = 0.0030303 k( 288) = ( 0.5000000 0.2886751 0.1626154), wk = 0.0030303 k( 289) = ( 0.5000000 0.2886751 0.1490641), wk = 0.0030303 k( 290) = ( 0.5000000 0.2886751 0.1355128), wk = 0.0030303 k( 291) = ( 0.5000000 0.2886751 0.1219616), wk = 0.0030303 k( 292) = ( 0.5000000 0.2886751 0.1084103), wk = 0.0030303 k( 293) = ( 0.5000000 0.2886751 0.0948590), wk = 0.0030303 k( 294) = ( 0.5000000 0.2886751 0.0813077), wk = 0.0030303 k( 295) = ( 0.5000000 0.2886751 0.0677564), wk = 0.0030303 k( 296) = ( 0.5000000 0.2886751 0.0542051), wk = 0.0030303 k( 297) = ( 0.5000000 0.2886751 0.0406539), wk = 0.0030303 k( 298) = ( 0.5000000 0.2886751 0.0271026), wk = 0.0030303 k( 299) = ( 0.5000000 0.2886751 0.0135513), wk = 0.0030303 k( 300) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030303 k( 301) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030303 k( 302) = ( 0.3333333 0.5773503 0.0135513), wk = 0.0030303 k( 303) = ( 0.3333333 0.5773503 0.0271026), wk = 0.0030303 k( 304) = ( 0.3333333 0.5773503 0.0406539), wk = 0.0030303 k( 305) = ( 0.3333333 0.5773503 0.0542051), wk = 0.0030303 k( 306) = ( 0.3333333 0.5773503 0.0677564), wk = 0.0030303 k( 307) = ( 0.3333333 0.5773503 0.0813077), wk = 0.0030303 k( 308) = ( 0.3333333 0.5773503 0.0948590), wk = 0.0030303 k( 309) = ( 0.3333333 0.5773503 0.1084103), wk = 0.0030303 k( 310) = ( 0.3333333 0.5773503 0.1219616), wk = 0.0030303 k( 311) = ( 0.3333333 0.5773503 0.1355128), wk = 0.0030303 k( 312) = ( 0.3333333 0.5773503 0.1490641), wk = 0.0030303 k( 313) = ( 0.3333333 0.5773503 0.1626154), wk = 0.0030303 k( 314) = ( 0.3333333 0.5773503 0.1761667), wk = 0.0030303 k( 315) = ( 0.3333333 0.5773503 0.1897180), wk = 0.0030303 k( 316) = ( 0.3333333 0.5773503 0.2032693), wk = 0.0030303 k( 317) = ( 0.3333333 0.5773503 0.2168206), wk = 0.0030303 k( 318) = ( 0.3333333 0.5773503 0.2303718), wk = 0.0030303 k( 319) = ( 0.3333333 0.5773503 0.2439231), wk = 0.0030303 k( 320) = ( 0.3333333 0.5773503 0.2574744), wk = 0.0030303 k( 321) = ( 0.3333333 0.5773503 0.2710257), wk = 0.0030303 k( 322) = ( 0.3333333 0.5773503 0.2845770), wk = 0.0030303 k( 323) = ( 0.3333333 0.5773503 0.2981283), wk = 0.0030303 k( 324) = ( 0.3333333 0.5773503 0.3116795), wk = 0.0030303 k( 325) = ( 0.3333333 0.5773503 0.3252308), wk = 0.0030303 k( 326) = ( 0.3333333 0.5773503 0.3387821), wk = 0.0030303 k( 327) = ( 0.3333333 0.5773503 0.3523334), wk = 0.0030303 k( 328) = ( 0.3333333 0.5773503 0.3658847), wk = 0.0030303 k( 329) = ( 0.3333333 0.5773503 0.3794360), wk = 0.0030303 k( 330) = ( 0.3333333 0.5773503 0.3929872), wk = 0.0030303 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0116279 -0.0000000 0.0000000), wk = 0.0030303 k( 3) = ( 0.0232558 -0.0000000 -0.0000000), wk = 0.0030303 k( 4) = ( 0.0348837 -0.0000000 0.0000000), wk = 0.0030303 k( 5) = ( 0.0465116 -0.0000000 0.0000000), wk = 0.0030303 k( 6) = ( 0.0581395 -0.0000000 0.0000000), wk = 0.0030303 k( 7) = ( 0.0697674 -0.0000000 0.0000000), wk = 0.0030303 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0030303 k( 9) = ( 0.0930233 -0.0000000 0.0000000), wk = 0.0030303 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0030303 k( 11) = ( 0.1162791 -0.0000000 0.0000000), wk = 0.0030303 k( 12) = ( 0.1279070 -0.0000000 -0.0000000), wk = 0.0030303 k( 13) = ( 0.1395349 -0.0000000 0.0000000), wk = 0.0030303 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0030303 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0030303 k( 16) = ( 0.1744186 -0.0000000 0.0000000), wk = 0.0030303 k( 17) = ( 0.1860465 -0.0000000 0.0000000), wk = 0.0030303 k( 18) = ( 0.1976744 -0.0000000 0.0000000), wk = 0.0030303 k( 19) = ( 0.2093023 -0.0000000 0.0000000), wk = 0.0030303 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0030303 k( 21) = ( 0.2325581 -0.0000000 0.0000000), wk = 0.0030303 k( 22) = ( 0.2441860 -0.0000000 0.0000000), wk = 0.0030303 k( 23) = ( 0.2558140 -0.0000000 0.0000000), wk = 0.0030303 k( 24) = ( 0.2674419 -0.0000000 -0.0000000), wk = 0.0030303 k( 25) = ( 0.2790698 -0.0000000 0.0000000), wk = 0.0030303 k( 26) = ( 0.2906977 -0.0000000 0.0000000), wk = 0.0030303 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0030303 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0030303 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0030303 k( 30) = ( 0.3372093 0.0000000 -0.0000000), wk = 0.0030303 k( 31) = ( 0.3488372 -0.0000000 0.0000000), wk = 0.0030303 k( 32) = ( 0.3604651 -0.0000000 0.0000000), wk = 0.0030303 k( 33) = ( 0.3720930 -0.0000000 0.0000000), wk = 0.0030303 k( 34) = ( 0.3837209 -0.0000000 0.0000000), wk = 0.0030303 k( 35) = ( 0.3953488 -0.0000000 0.0000000), wk = 0.0030303 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0030303 k( 37) = ( 0.4186047 -0.0000000 0.0000000), wk = 0.0030303 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0030303 k( 39) = ( 0.4418605 -0.0000000 0.0000000), wk = 0.0030303 k( 40) = ( 0.4534884 -0.0000000 0.0000000), wk = 0.0030303 k( 41) = ( 0.4651163 -0.0000000 0.0000000), wk = 0.0030303 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0030303 k( 43) = ( 0.4883721 -0.0000000 0.0000000), wk = 0.0030303 k( 44) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030303 k( 45) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030303 k( 46) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0030303 k( 47) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0030303 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0030303 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0030303 k( 50) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0030303 k( 51) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0030303 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0030303 k( 53) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0030303 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0030303 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0030303 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0030303 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0030303 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0030303 k( 59) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0030303 k( 60) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0030303 k( 61) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0030303 k( 62) = ( 0.3866667 0.2266667 -0.0000000), wk = 0.0030303 k( 63) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0030303 k( 64) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0030303 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0030303 k( 66) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0030303 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0030303 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0030303 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0030303 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030303 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030303 k( 72) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0030303 k( 73) = ( 0.3197279 0.3197279 0.0000000), wk = 0.0030303 k( 74) = ( 0.3129252 0.3129252 0.0000000), wk = 0.0030303 k( 75) = ( 0.3061224 0.3061224 0.0000000), wk = 0.0030303 k( 76) = ( 0.2993197 0.2993197 -0.0000000), wk = 0.0030303 k( 77) = ( 0.2925170 0.2925170 0.0000000), wk = 0.0030303 k( 78) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0030303 k( 79) = ( 0.2789116 0.2789116 0.0000000), wk = 0.0030303 k( 80) = ( 0.2721088 0.2721088 0.0000000), wk = 0.0030303 k( 81) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0030303 k( 82) = ( 0.2585034 0.2585034 0.0000000), wk = 0.0030303 k( 83) = ( 0.2517007 0.2517007 0.0000000), wk = 0.0030303 k( 84) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0030303 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0030303 k( 86) = ( 0.2312925 0.2312925 0.0000000), wk = 0.0030303 k( 87) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0030303 k( 88) = ( 0.2176871 0.2176871 0.0000000), wk = 0.0030303 k( 89) = ( 0.2108843 0.2108843 0.0000000), wk = 0.0030303 k( 90) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0030303 k( 91) = ( 0.1972789 0.1972789 0.0000000), wk = 0.0030303 k( 92) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0030303 k( 93) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0030303 k( 94) = ( 0.1768707 0.1768707 0.0000000), wk = 0.0030303 k( 95) = ( 0.1700680 0.1700680 0.0000000), wk = 0.0030303 k( 96) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0030303 k( 97) = ( 0.1564626 0.1564626 0.0000000), wk = 0.0030303 k( 98) = ( 0.1496599 0.1496599 0.0000000), wk = 0.0030303 k( 99) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0030303 k( 100) = ( 0.1360544 0.1360544 0.0000000), wk = 0.0030303 k( 101) = ( 0.1292517 0.1292517 0.0000000), wk = 0.0030303 k( 102) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0030303 k( 103) = ( 0.1156463 0.1156463 0.0000000), wk = 0.0030303 k( 104) = ( 0.1088435 0.1088435 0.0000000), wk = 0.0030303 k( 105) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0030303 k( 106) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0030303 k( 107) = ( 0.0884354 0.0884354 0.0000000), wk = 0.0030303 k( 108) = ( 0.0816327 0.0816326 0.0000000), wk = 0.0030303 k( 109) = ( 0.0748299 0.0748299 0.0000000), wk = 0.0030303 k( 110) = ( 0.0680272 0.0680272 0.0000000), wk = 0.0030303 k( 111) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0030303 k( 112) = ( 0.0544218 0.0544218 0.0000000), wk = 0.0030303 k( 113) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0030303 k( 114) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0030303 k( 115) = ( 0.0340136 0.0340136 0.0000000), wk = 0.0030303 k( 116) = ( 0.0272109 0.0272109 0.0000000), wk = 0.0030303 k( 117) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0030303 k( 118) = ( 0.0136054 0.0136054 0.0000000), wk = 0.0030303 k( 119) = ( 0.0068027 0.0068027 0.0000000), wk = 0.0030303 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 122) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0030303 k( 123) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0030303 k( 124) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0030303 k( 125) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0030303 k( 126) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0030303 k( 127) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0030303 k( 128) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0030303 k( 129) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0030303 k( 130) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0030303 k( 131) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0030303 k( 132) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0030303 k( 133) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0030303 k( 134) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0030303 k( 135) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0030303 k( 136) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0030303 k( 137) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0030303 k( 138) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0030303 k( 139) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0030303 k( 140) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0030303 k( 141) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0030303 k( 142) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0030303 k( 143) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0030303 k( 144) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0030303 k( 145) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0030303 k( 146) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0030303 k( 147) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0030303 k( 148) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0030303 k( 149) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0030303 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 152) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0030303 k( 153) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0030303 k( 154) = ( 0.0348837 -0.0000000 0.5000000), wk = 0.0030303 k( 155) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0030303 k( 156) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0030303 k( 157) = ( 0.0697674 -0.0000000 0.5000000), wk = 0.0030303 k( 158) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0030303 k( 159) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0030303 k( 160) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0030303 k( 161) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0030303 k( 162) = ( 0.1279070 -0.0000000 0.5000000), wk = 0.0030303 k( 163) = ( 0.1395349 -0.0000000 0.5000000), wk = 0.0030303 k( 164) = ( 0.1511628 -0.0000000 0.5000000), wk = 0.0030303 k( 165) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0030303 k( 166) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0030303 k( 167) = ( 0.1860465 -0.0000000 0.5000000), wk = 0.0030303 k( 168) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0030303 k( 169) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0030303 k( 170) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0030303 k( 171) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0030303 k( 172) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0030303 k( 173) = ( 0.2558140 -0.0000000 0.5000000), wk = 0.0030303 k( 174) = ( 0.2674419 -0.0000000 0.5000000), wk = 0.0030303 k( 175) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0030303 k( 176) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0030303 k( 177) = ( 0.3023256 -0.0000000 0.5000000), wk = 0.0030303 k( 178) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0030303 k( 179) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0030303 k( 180) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0030303 k( 181) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0030303 k( 182) = ( 0.3604651 -0.0000000 0.5000000), wk = 0.0030303 k( 183) = ( 0.3720930 -0.0000000 0.5000000), wk = 0.0030303 k( 184) = ( 0.3837209 -0.0000000 0.5000000), wk = 0.0030303 k( 185) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0030303 k( 186) = ( 0.4069767 -0.0000000 0.5000000), wk = 0.0030303 k( 187) = ( 0.4186047 -0.0000000 0.5000000), wk = 0.0030303 k( 188) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0030303 k( 189) = ( 0.4418605 -0.0000000 0.5000000), wk = 0.0030303 k( 190) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0030303 k( 191) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0030303 k( 192) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0030303 k( 193) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0030303 k( 194) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030303 k( 195) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030303 k( 196) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0030303 k( 197) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0030303 k( 198) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0030303 k( 199) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0030303 k( 200) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0030303 k( 201) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0030303 k( 202) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0030303 k( 203) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0030303 k( 204) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0030303 k( 205) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0030303 k( 206) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0030303 k( 207) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0030303 k( 208) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0030303 k( 209) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0030303 k( 210) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0030303 k( 211) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0030303 k( 212) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0030303 k( 213) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0030303 k( 214) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0030303 k( 215) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0030303 k( 216) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0030303 k( 217) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0030303 k( 218) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0030303 k( 219) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0030303 k( 220) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030303 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030303 k( 222) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0030303 k( 223) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0030303 k( 224) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0030303 k( 225) = ( 0.3061224 0.3061224 0.5000000), wk = 0.0030303 k( 226) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0030303 k( 227) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0030303 k( 228) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0030303 k( 229) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0030303 k( 230) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0030303 k( 231) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0030303 k( 232) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0030303 k( 233) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0030303 k( 234) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0030303 k( 235) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0030303 k( 236) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0030303 k( 237) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0030303 k( 238) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0030303 k( 239) = ( 0.2108843 0.2108843 0.5000000), wk = 0.0030303 k( 240) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0030303 k( 241) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0030303 k( 242) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0030303 k( 243) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0030303 k( 244) = ( 0.1768707 0.1768707 0.5000000), wk = 0.0030303 k( 245) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0030303 k( 246) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0030303 k( 247) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0030303 k( 248) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0030303 k( 249) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0030303 k( 250) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0030303 k( 251) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0030303 k( 252) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0030303 k( 253) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0030303 k( 254) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0030303 k( 255) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0030303 k( 256) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0030303 k( 257) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0030303 k( 258) = ( 0.0816327 0.0816326 0.5000000), wk = 0.0030303 k( 259) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0030303 k( 260) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0030303 k( 261) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0030303 k( 262) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0030303 k( 263) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0030303 k( 264) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0030303 k( 265) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0030303 k( 266) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0030303 k( 267) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0030303 k( 268) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0030303 k( 269) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0030303 k( 270) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 271) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030303 k( 272) = ( 0.5000000 -0.0000000 0.4827586), wk = 0.0030303 k( 273) = ( 0.5000000 -0.0000000 0.4655172), wk = 0.0030303 k( 274) = ( 0.5000000 -0.0000000 0.4482759), wk = 0.0030303 k( 275) = ( 0.5000000 -0.0000000 0.4310345), wk = 0.0030303 k( 276) = ( 0.5000000 -0.0000000 0.4137931), wk = 0.0030303 k( 277) = ( 0.5000000 -0.0000000 0.3965517), wk = 0.0030303 k( 278) = ( 0.5000000 -0.0000000 0.3793103), wk = 0.0030303 k( 279) = ( 0.5000000 -0.0000000 0.3620690), wk = 0.0030303 k( 280) = ( 0.5000000 -0.0000000 0.3448276), wk = 0.0030303 k( 281) = ( 0.5000000 -0.0000000 0.3275862), wk = 0.0030303 k( 282) = ( 0.5000000 -0.0000000 0.3103448), wk = 0.0030303 k( 283) = ( 0.5000000 -0.0000000 0.2931034), wk = 0.0030303 k( 284) = ( 0.5000000 -0.0000000 0.2758621), wk = 0.0030303 k( 285) = ( 0.5000000 -0.0000000 0.2586207), wk = 0.0030303 k( 286) = ( 0.5000000 -0.0000000 0.2413793), wk = 0.0030303 k( 287) = ( 0.5000000 -0.0000000 0.2241379), wk = 0.0030303 k( 288) = ( 0.5000000 -0.0000000 0.2068965), wk = 0.0030303 k( 289) = ( 0.5000000 -0.0000000 0.1896552), wk = 0.0030303 k( 290) = ( 0.5000000 -0.0000000 0.1724138), wk = 0.0030303 k( 291) = ( 0.5000000 -0.0000000 0.1551724), wk = 0.0030303 k( 292) = ( 0.5000000 -0.0000000 0.1379310), wk = 0.0030303 k( 293) = ( 0.5000000 -0.0000000 0.1206897), wk = 0.0030303 k( 294) = ( 0.5000000 -0.0000000 0.1034483), wk = 0.0030303 k( 295) = ( 0.5000000 -0.0000000 0.0862069), wk = 0.0030303 k( 296) = ( 0.5000000 -0.0000000 0.0689655), wk = 0.0030303 k( 297) = ( 0.5000000 -0.0000000 0.0517241), wk = 0.0030303 k( 298) = ( 0.5000000 -0.0000000 0.0344828), wk = 0.0030303 k( 299) = ( 0.5000000 -0.0000000 0.0172414), wk = 0.0030303 k( 300) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030303 k( 301) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030303 k( 302) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0030303 k( 303) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0030303 k( 304) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0030303 k( 305) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0030303 k( 306) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0030303 k( 307) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0030303 k( 308) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0030303 k( 309) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0030303 k( 310) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0030303 k( 311) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0030303 k( 312) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0030303 k( 313) = ( 0.3333333 0.3333333 0.2068965), wk = 0.0030303 k( 314) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0030303 k( 315) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0030303 k( 316) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0030303 k( 317) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0030303 k( 318) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0030303 k( 319) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0030303 k( 320) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0030303 k( 321) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0030303 k( 322) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0030303 k( 323) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0030303 k( 324) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0030303 k( 325) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0030303 k( 326) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0030303 k( 327) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0030303 k( 328) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0030303 k( 329) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0030303 k( 330) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030303 Dense grid: 90753 G-vectors FFT dimensions: ( 54, 54, 72) Smooth grid: 21199 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 176, 38) NL pseudopotentials 0.13 Mb ( 88, 100) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.02 Mb ( 2835) G-vector shells 0.01 Mb ( 1349) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.41 Mb ( 176, 152) Each subspace H/S matrix 0.35 Mb ( 152, 152) Each matrix 0.12 Mb ( 100, 2, 38) The potential is recalculated from file : ./BiPt.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.4 secs Computing kpt #: 7 total cpu time spent up to now is 8.2 secs Computing kpt #: 8 total cpu time spent up to now is 9.1 secs Computing kpt #: 9 total cpu time spent up to now is 9.8 secs Computing kpt #: 10 total cpu time spent up to now is 10.6 secs Computing kpt #: 11 total cpu time spent up to now is 11.3 secs Computing kpt #: 12 total cpu time spent up to now is 12.1 secs Computing kpt #: 13 total cpu time spent up to now is 12.8 secs Computing kpt #: 14 total cpu time spent up to now is 13.6 secs Computing kpt #: 15 total cpu time spent up to now is 14.4 secs Computing kpt #: 16 total cpu time spent up to now is 15.2 secs Computing kpt #: 17 total cpu time spent up to now is 16.0 secs Computing kpt #: 18 total cpu time spent up to now is 16.8 secs Computing kpt #: 19 total cpu time spent up to now is 17.5 secs Computing kpt #: 20 total cpu time spent up to now is 18.3 secs Computing kpt #: 21 total cpu time spent up to now is 19.0 secs Computing kpt #: 22 total cpu time spent up to now is 19.8 secs Computing kpt #: 23 total cpu time spent up to now is 20.5 secs Computing kpt #: 24 total cpu time spent up to now is 21.3 secs Computing kpt #: 25 total cpu time spent up to now is 22.0 secs Computing kpt #: 26 total cpu time spent up to now is 22.8 secs Computing kpt #: 27 total cpu time spent up to now is 23.5 secs Computing kpt #: 28 total cpu time spent up to now is 24.2 secs Computing kpt #: 29 total cpu time spent up to now is 24.9 secs Computing kpt #: 30 total cpu time spent up to now is 25.7 secs Computing kpt #: 31 total cpu time spent up to now is 26.5 secs Computing kpt #: 32 total cpu time spent up to now is 27.2 secs Computing kpt #: 33 total cpu time spent up to now is 28.0 secs Computing kpt #: 34 total cpu time spent up to now is 28.7 secs Computing kpt #: 35 total cpu time spent up to now is 29.4 secs Computing kpt #: 36 total cpu time spent up to now is 30.2 secs Computing kpt #: 37 total cpu time spent up to now is 31.0 secs Computing kpt #: 38 total cpu time spent up to now is 31.7 secs Computing kpt #: 39 total cpu time spent up to now is 32.5 secs Computing kpt #: 40 total cpu time spent up to now is 33.2 secs Computing kpt #: 41 total cpu time spent up to now is 34.0 secs Computing kpt #: 42 total cpu time spent up to now is 34.7 secs Computing kpt #: 43 total cpu time spent up to now is 35.5 secs Computing kpt #: 44 total cpu time spent up to now is 36.3 secs Computing kpt #: 45 total cpu time spent up to now is 37.1 secs Computing kpt #: 46 total cpu time spent up to now is 37.8 secs Computing kpt #: 47 total cpu time spent up to now is 38.6 secs Computing kpt #: 48 total cpu time spent up to now is 39.3 secs Computing kpt #: 49 total cpu time spent up to now is 40.1 secs Computing kpt #: 50 total cpu time spent up to now is 40.9 secs Computing kpt #: 51 total cpu time spent up to now is 41.6 secs Computing kpt #: 52 total cpu time spent up to now is 42.3 secs Computing kpt #: 53 total cpu time spent up to now is 43.0 secs Computing kpt #: 54 total cpu time spent up to now is 43.7 secs Computing kpt #: 55 total cpu time spent up to now is 44.4 secs Computing kpt #: 56 total cpu time spent up to now is 45.1 secs Computing kpt #: 57 total cpu time spent up to now is 45.7 secs Computing kpt #: 58 total cpu time spent up to now is 46.4 secs Computing kpt #: 59 total cpu time spent up to now is 47.0 secs Computing kpt #: 60 total cpu time spent up to now is 47.6 secs Computing kpt #: 61 total cpu time spent up to now is 48.3 secs Computing kpt #: 62 total cpu time spent up to now is 48.9 secs Computing kpt #: 63 total cpu time spent up to now is 49.5 secs Computing kpt #: 64 total cpu time spent up to now is 50.1 secs Computing kpt #: 65 total cpu time spent up to now is 50.7 secs Computing kpt #: 66 total cpu time spent up to now is 51.3 secs Computing kpt #: 67 total cpu time spent up to now is 51.9 secs Computing kpt #: 68 total cpu time spent up to now is 52.5 secs Computing kpt #: 69 total cpu time spent up to now is 53.0 secs Computing kpt #: 70 total cpu time spent up to now is 53.6 secs Computing kpt #: 71 total cpu time spent up to now is 54.1 secs Computing kpt #: 72 total cpu time spent up to now is 54.7 secs Computing kpt #: 73 total cpu time spent up to now is 55.3 secs Computing kpt #: 74 total cpu time spent up to now is 55.9 secs Computing kpt #: 75 total cpu time spent up to now is 56.5 secs Computing kpt #: 76 total cpu time spent up to now is 57.1 secs Computing kpt #: 77 total cpu time spent up to now is 57.7 secs Computing kpt #: 78 total cpu time spent up to now is 58.2 secs Computing kpt #: 79 total cpu time spent up to now is 58.8 secs Computing kpt #: 80 total cpu time spent up to now is 59.4 secs Computing kpt #: 81 total cpu time spent up to now is 60.0 secs Computing kpt #: 82 total cpu time spent up to now is 60.6 secs Computing kpt #: 83 total cpu time spent up to now is 61.2 secs Computing kpt #: 84 total cpu time spent up to now is 61.8 secs Computing kpt #: 85 total cpu time spent up to now is 62.4 secs Computing kpt #: 86 total cpu time spent up to now is 63.0 secs Computing kpt #: 87 total cpu time spent up to now is 63.6 secs Computing kpt #: 88 total cpu time spent up to now is 64.2 secs Computing kpt #: 89 total cpu time spent up to now is 64.9 secs Computing kpt #: 90 total cpu time spent up to now is 65.5 secs Computing kpt #: 91 total cpu time spent up to now is 66.2 secs Computing kpt #: 92 total cpu time spent up to now is 66.8 secs Computing kpt #: 93 total cpu time spent up to now is 67.5 secs Computing kpt #: 94 total cpu time spent up to now is 68.2 secs Computing kpt #: 95 total cpu time spent up to now is 68.8 secs Computing kpt #: 96 total cpu time spent up to now is 69.5 secs Computing kpt #: 97 total cpu time spent up to now is 70.3 secs Computing kpt #: 98 total cpu time spent up to now is 71.1 secs Computing kpt #: 99 total cpu time spent up to now is 71.8 secs Computing kpt #: 100 total cpu time spent up to now is 72.7 secs Computing kpt #: 101 total cpu time spent up to now is 73.5 secs Computing kpt #: 102 total cpu time spent up to now is 74.3 secs Computing kpt #: 103 total cpu time spent up to now is 75.2 secs Computing kpt #: 104 total cpu time spent up to now is 76.1 secs Computing kpt #: 105 total cpu time spent up to now is 76.9 secs Computing kpt #: 106 total cpu time spent up to now is 77.8 secs Computing kpt #: 107 total cpu time spent up to now is 78.7 secs Computing kpt #: 108 total cpu time spent up to now is 79.6 secs Computing kpt #: 109 total cpu time spent up to now is 80.6 secs Computing kpt #: 110 total cpu time spent up to now is 81.6 secs Computing kpt #: 111 total cpu time spent up to now is 82.4 secs Computing kpt #: 112 total cpu time spent up to now is 83.3 secs Computing kpt #: 113 total cpu time spent up to now is 84.2 secs Computing kpt #: 114 total cpu time spent up to now is 85.0 secs Computing kpt #: 115 total cpu time spent up to now is 85.9 secs Computing kpt #: 116 total cpu time spent up to now is 86.8 secs Computing kpt #: 117 total cpu time spent up to now is 87.6 secs Computing kpt #: 118 total cpu time spent up to now is 88.5 secs Computing kpt #: 119 total cpu time spent up to now is 89.3 secs Computing kpt #: 120 total cpu time spent up to now is 90.0 secs Computing kpt #: 121 total cpu time spent up to now is 90.7 secs Computing kpt #: 122 total cpu time spent up to now is 91.5 secs Computing kpt #: 123 total cpu time spent up to now is 92.2 secs Computing kpt #: 124 total cpu time spent up to now is 93.0 secs Computing kpt #: 125 total cpu time spent up to now is 93.7 secs Computing kpt #: 126 total cpu time spent up to now is 94.4 secs Computing kpt #: 127 total cpu time spent up to now is 95.1 secs Computing kpt #: 128 total cpu time spent up to now is 95.9 secs Computing kpt #: 129 total cpu time spent up to now is 96.6 secs Computing kpt #: 130 total cpu time spent up to now is 97.5 secs Computing kpt #: 131 total cpu time spent up to now is 98.5 secs Computing kpt #: 132 total cpu time spent up to now is 99.3 secs Computing kpt #: 133 total cpu time spent up to now is 100.2 secs Computing kpt #: 134 total cpu time spent up to now is 101.1 secs Computing kpt #: 135 total cpu time spent up to now is 101.9 secs Computing kpt #: 136 total cpu time spent up to now is 102.8 secs Computing kpt #: 137 total cpu time spent up to now is 104.0 secs Computing kpt #: 138 total cpu time spent up to now is 104.9 secs Computing kpt #: 139 total cpu time spent up to now is 106.7 secs Computing kpt #: 140 total cpu time spent up to now is 109.7 secs Computing kpt #: 141 total cpu time spent up to now is 110.7 secs Computing kpt #: 142 total cpu time spent up to now is 111.7 secs Computing kpt #: 143 total cpu time spent up to now is 112.7 secs Computing kpt #: 144 total cpu time spent up to now is 113.7 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 115.0 secs Computing kpt #: 146 total cpu time spent up to now is 116.1 secs Computing kpt #: 147 total cpu time spent up to now is 117.2 secs Computing kpt #: 148 total cpu time spent up to now is 118.2 secs Computing kpt #: 149 total cpu time spent up to now is 119.3 secs Computing kpt #: 150 total cpu time spent up to now is 120.0 secs Computing kpt #: 151 total cpu time spent up to now is 120.7 secs Computing kpt #: 152 total cpu time spent up to now is 121.4 secs Computing kpt #: 153 total cpu time spent up to now is 122.1 secs Computing kpt #: 154 total cpu time spent up to now is 122.8 secs Computing kpt #: 155 total cpu time spent up to now is 123.6 secs Computing kpt #: 156 total cpu time spent up to now is 124.3 secs Computing kpt #: 157 total cpu time spent up to now is 125.0 secs Computing kpt #: 158 total cpu time spent up to now is 125.7 secs Computing kpt #: 159 total cpu time spent up to now is 126.4 secs Computing kpt #: 160 total cpu time spent up to now is 127.1 secs Computing kpt #: 161 total cpu time spent up to now is 127.8 secs Computing kpt #: 162 total cpu time spent up to now is 128.5 secs Computing kpt #: 163 total cpu time spent up to now is 129.1 secs Computing kpt #: 164 total cpu time spent up to now is 129.8 secs Computing kpt #: 165 total cpu time spent up to now is 130.4 secs Computing kpt #: 166 total cpu time spent up to now is 131.1 secs Computing kpt #: 167 total cpu time spent up to now is 131.7 secs Computing kpt #: 168 total cpu time spent up to now is 132.3 secs Computing kpt #: 169 total cpu time spent up to now is 133.0 secs Computing kpt #: 170 total cpu time spent up to now is 133.6 secs Computing kpt #: 171 total cpu time spent up to now is 134.2 secs Computing kpt #: 172 total cpu time spent up to now is 134.8 secs Computing kpt #: 173 total cpu time spent up to now is 135.5 secs Computing kpt #: 174 total cpu time spent up to now is 136.1 secs Computing kpt #: 175 total cpu time spent up to now is 136.7 secs Computing kpt #: 176 total cpu time spent up to now is 137.3 secs Computing kpt #: 177 total cpu time spent up to now is 137.9 secs Computing kpt #: 178 total cpu time spent up to now is 138.5 secs Computing kpt #: 179 total cpu time spent up to now is 139.1 secs Computing kpt #: 180 total cpu time spent up to now is 139.7 secs Computing kpt #: 181 total cpu time spent up to now is 140.3 secs Computing kpt #: 182 total cpu time spent up to now is 140.9 secs Computing kpt #: 183 total cpu time spent up to now is 141.5 secs Computing kpt #: 184 total cpu time spent up to now is 142.1 secs Computing kpt #: 185 total cpu time spent up to now is 142.7 secs Computing kpt #: 186 total cpu time spent up to now is 143.3 secs Computing kpt #: 187 total cpu time spent up to now is 143.8 secs Computing kpt #: 188 total cpu time spent up to now is 144.4 secs Computing kpt #: 189 total cpu time spent up to now is 145.0 secs Computing kpt #: 190 total cpu time spent up to now is 145.6 secs Computing kpt #: 191 total cpu time spent up to now is 146.2 secs Computing kpt #: 192 total cpu time spent up to now is 146.8 secs Computing kpt #: 193 total cpu time spent up to now is 147.4 secs Computing kpt #: 194 total cpu time spent up to now is 148.0 secs Computing kpt #: 195 total cpu time spent up to now is 148.6 secs Computing kpt #: 196 total cpu time spent up to now is 149.3 secs Computing kpt #: 197 total cpu time spent up to now is 150.1 secs Computing kpt #: 198 total cpu time spent up to now is 150.8 secs Computing kpt #: 199 total cpu time spent up to now is 151.6 secs Computing kpt #: 200 total cpu time spent up to now is 152.3 secs Computing kpt #: 201 total cpu time spent up to now is 153.1 secs Computing kpt #: 202 total cpu time spent up to now is 153.8 secs Computing kpt #: 203 total cpu time spent up to now is 154.6 secs Computing kpt #: 204 total cpu time spent up to now is 155.3 secs Computing kpt #: 205 total cpu time spent up to now is 156.1 secs Computing kpt #: 206 total cpu time spent up to now is 156.8 secs Computing kpt #: 207 total cpu time spent up to now is 157.5 secs Computing kpt #: 208 total cpu time spent up to now is 158.3 secs Computing kpt #: 209 total cpu time spent up to now is 159.1 secs Computing kpt #: 210 total cpu time spent up to now is 159.8 secs Computing kpt #: 211 total cpu time spent up to now is 160.6 secs Computing kpt #: 212 total cpu time spent up to now is 161.3 secs Computing kpt #: 213 total cpu time spent up to now is 162.1 secs Computing kpt #: 214 total cpu time spent up to now is 162.9 secs Computing kpt #: 215 total cpu time spent up to now is 163.7 secs Computing kpt #: 216 total cpu time spent up to now is 164.6 secs Computing kpt #: 217 total cpu time spent up to now is 165.5 secs Computing kpt #: 218 total cpu time spent up to now is 166.3 secs Computing kpt #: 219 total cpu time spent up to now is 167.2 secs Computing kpt #: 220 total cpu time spent up to now is 168.0 secs Computing kpt #: 221 total cpu time spent up to now is 168.8 secs Computing kpt #: 222 total cpu time spent up to now is 169.8 secs Computing kpt #: 223 total cpu time spent up to now is 170.6 secs Computing kpt #: 224 total cpu time spent up to now is 171.5 secs Computing kpt #: 225 total cpu time spent up to now is 172.3 secs Computing kpt #: 226 total cpu time spent up to now is 173.2 secs Computing kpt #: 227 total cpu time spent up to now is 174.0 secs Computing kpt #: 228 total cpu time spent up to now is 174.7 secs Computing kpt #: 229 total cpu time spent up to now is 175.5 secs Computing kpt #: 230 total cpu time spent up to now is 176.3 secs Computing kpt #: 231 total cpu time spent up to now is 177.1 secs Computing kpt #: 232 total cpu time spent up to now is 177.9 secs Computing kpt #: 233 total cpu time spent up to now is 178.6 secs Computing kpt #: 234 total cpu time spent up to now is 179.4 secs Computing kpt #: 235 total cpu time spent up to now is 180.2 secs Computing kpt #: 236 total cpu time spent up to now is 180.9 secs Computing kpt #: 237 total cpu time spent up to now is 181.7 secs Computing kpt #: 238 total cpu time spent up to now is 182.4 secs Computing kpt #: 239 total cpu time spent up to now is 183.1 secs Computing kpt #: 240 total cpu time spent up to now is 183.9 secs Computing kpt #: 241 total cpu time spent up to now is 184.7 secs Computing kpt #: 242 total cpu time spent up to now is 185.5 secs Computing kpt #: 243 total cpu time spent up to now is 186.2 secs Computing kpt #: 244 total cpu time spent up to now is 187.0 secs Computing kpt #: 245 total cpu time spent up to now is 187.7 secs Computing kpt #: 246 total cpu time spent up to now is 188.5 secs Computing kpt #: 247 total cpu time spent up to now is 189.3 secs Computing kpt #: 248 total cpu time spent up to now is 190.0 secs Computing kpt #: 249 total cpu time spent up to now is 190.8 secs Computing kpt #: 250 total cpu time spent up to now is 191.6 secs Computing kpt #: 251 total cpu time spent up to now is 192.3 secs Computing kpt #: 252 total cpu time spent up to now is 193.1 secs Computing kpt #: 253 total cpu time spent up to now is 193.9 secs Computing kpt #: 254 total cpu time spent up to now is 194.6 secs Computing kpt #: 255 total cpu time spent up to now is 195.4 secs Computing kpt #: 256 total cpu time spent up to now is 196.2 secs Computing kpt #: 257 total cpu time spent up to now is 196.9 secs Computing kpt #: 258 total cpu time spent up to now is 197.7 secs Computing kpt #: 259 total cpu time spent up to now is 198.5 secs Computing kpt #: 260 total cpu time spent up to now is 199.4 secs Computing kpt #: 261 total cpu time spent up to now is 200.2 secs Computing kpt #: 262 total cpu time spent up to now is 201.0 secs Computing kpt #: 263 total cpu time spent up to now is 201.9 secs Computing kpt #: 264 total cpu time spent up to now is 202.7 secs Computing kpt #: 265 total cpu time spent up to now is 203.7 secs Computing kpt #: 266 total cpu time spent up to now is 204.9 secs Computing kpt #: 267 total cpu time spent up to now is 206.1 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.4 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 208.7 secs Computing kpt #: 270 total cpu time spent up to now is 209.4 secs Computing kpt #: 271 total cpu time spent up to now is 210.0 secs Computing kpt #: 272 total cpu time spent up to now is 210.7 secs Computing kpt #: 273 total cpu time spent up to now is 211.4 secs Computing kpt #: 274 total cpu time spent up to now is 212.1 secs Computing kpt #: 275 total cpu time spent up to now is 212.8 secs Computing kpt #: 276 total cpu time spent up to now is 213.4 secs Computing kpt #: 277 total cpu time spent up to now is 214.1 secs Computing kpt #: 278 total cpu time spent up to now is 214.7 secs Computing kpt #: 279 total cpu time spent up to now is 215.4 secs Computing kpt #: 280 total cpu time spent up to now is 216.1 secs Computing kpt #: 281 total cpu time spent up to now is 216.7 secs Computing kpt #: 282 total cpu time spent up to now is 217.4 secs Computing kpt #: 283 total cpu time spent up to now is 218.0 secs Computing kpt #: 284 total cpu time spent up to now is 218.7 secs Computing kpt #: 285 total cpu time spent up to now is 219.3 secs Computing kpt #: 286 total cpu time spent up to now is 220.0 secs Computing kpt #: 287 total cpu time spent up to now is 220.7 secs Computing kpt #: 288 total cpu time spent up to now is 221.3 secs Computing kpt #: 289 total cpu time spent up to now is 222.0 secs Computing kpt #: 290 total cpu time spent up to now is 222.7 secs Computing kpt #: 291 total cpu time spent up to now is 223.4 secs Computing kpt #: 292 total cpu time spent up to now is 224.1 secs Computing kpt #: 293 total cpu time spent up to now is 224.8 secs Computing kpt #: 294 total cpu time spent up to now is 225.6 secs Computing kpt #: 295 total cpu time spent up to now is 226.3 secs Computing kpt #: 296 total cpu time spent up to now is 227.1 secs Computing kpt #: 297 total cpu time spent up to now is 227.8 secs Computing kpt #: 298 total cpu time spent up to now is 228.5 secs Computing kpt #: 299 total cpu time spent up to now is 229.3 secs Computing kpt #: 300 total cpu time spent up to now is 230.1 secs Computing kpt #: 301 total cpu time spent up to now is 230.6 secs Computing kpt #: 302 total cpu time spent up to now is 231.2 secs Computing kpt #: 303 total cpu time spent up to now is 231.8 secs Computing kpt #: 304 total cpu time spent up to now is 232.4 secs Computing kpt #: 305 total cpu time spent up to now is 233.0 secs Computing kpt #: 306 total cpu time spent up to now is 233.6 secs Computing kpt #: 307 total cpu time spent up to now is 234.1 secs Computing kpt #: 308 total cpu time spent up to now is 234.7 secs Computing kpt #: 309 total cpu time spent up to now is 235.4 secs Computing kpt #: 310 total cpu time spent up to now is 236.0 secs Computing kpt #: 311 total cpu time spent up to now is 236.6 secs Computing kpt #: 312 total cpu time spent up to now is 237.2 secs Computing kpt #: 313 total cpu time spent up to now is 237.8 secs Computing kpt #: 314 total cpu time spent up to now is 238.4 secs Computing kpt #: 315 total cpu time spent up to now is 239.0 secs Computing kpt #: 316 total cpu time spent up to now is 239.6 secs Computing kpt #: 317 total cpu time spent up to now is 240.3 secs Computing kpt #: 318 total cpu time spent up to now is 240.9 secs Computing kpt #: 319 total cpu time spent up to now is 241.6 secs Computing kpt #: 320 total cpu time spent up to now is 242.2 secs Computing kpt #: 321 total cpu time spent up to now is 242.8 secs Computing kpt #: 322 total cpu time spent up to now is 243.5 secs Computing kpt #: 323 total cpu time spent up to now is 244.1 secs Computing kpt #: 324 total cpu time spent up to now is 244.8 secs Computing kpt #: 325 total cpu time spent up to now is 245.5 secs Computing kpt #: 326 total cpu time spent up to now is 246.2 secs Computing kpt #: 327 total cpu time spent up to now is 246.9 secs Computing kpt #: 328 total cpu time spent up to now is 247.7 secs Computing kpt #: 329 total cpu time spent up to now is 248.5 secs Computing kpt #: 330 total cpu time spent up to now is 249.4 secs ethr = 3.33E-11, avg # of iterations = 40.4 total cpu time spent up to now is 249.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2667 PWs) bands (ev): -2.2122 -2.2122 0.9717 0.9717 4.6417 4.6417 5.4696 5.4696 5.4891 5.4891 5.6826 5.6826 6.8263 6.8263 7.1342 7.1342 7.7974 7.7974 8.5426 8.5426 9.1401 9.1401 9.6934 9.6934 9.9295 9.9295 12.2108 12.2108 12.2472 12.2472 13.1038 13.1038 13.3461 13.3461 14.2189 14.2189 14.2617 14.2617 k = 0.0116 0.0067-0.0000 ( 2667 PWs) bands (ev): -2.2107 -2.2107 0.9706 0.9706 4.6435 4.6435 5.4710 5.4710 5.4887 5.4887 5.6841 5.6841 6.8256 6.8256 7.1335 7.1335 7.7963 7.7963 8.5415 8.5415 9.1396 9.1396 9.6916 9.6916 9.9272 9.9272 12.1934 12.1934 12.2319 12.2319 13.1329 13.1329 13.3382 13.3382 14.2163 14.2163 14.2714 14.2714 k = 0.0233 0.0134-0.0000 ( 2671 PWs) bands (ev): -2.2065 -2.2065 0.9671 0.9671 4.6491 4.6491 5.4750 5.4750 5.4875 5.4875 5.6883 5.6883 6.8235 6.8235 7.1315 7.1315 7.7929 7.7929 8.5385 8.5385 9.1379 9.1379 9.6863 9.6863 9.9204 9.9204 12.1179 12.1179 12.2209 12.2209 13.2067 13.2067 13.3169 13.3169 14.2094 14.2094 14.2996 14.2996 k = 0.0349 0.0201-0.0000 ( 2675 PWs) bands (ev): -2.1995 -2.1995 0.9612 0.9612 4.6583 4.6583 5.4816 5.4816 5.4854 5.4854 5.6956 5.6956 6.8201 6.8201 7.1282 7.1282 7.7873 7.7873 8.5337 8.5337 9.1351 9.1351 9.6770 9.6770 9.9094 9.9094 12.0062 12.0062 12.2134 12.2134 13.2630 13.2630 13.3228 13.3228 14.2015 14.2015 14.3442 14.3442 k = 0.0465 0.0269-0.0000 ( 2675 PWs) bands (ev): -2.1896 -2.1896 0.9532 0.9532 4.6712 4.6712 5.4824 5.4824 5.4903 5.4903 5.7061 5.7061 6.8151 6.8151 7.1236 7.1236 7.7792 7.7792 8.5271 8.5271 9.1310 9.1310 9.6635 9.6635 9.8945 9.8945 11.8794 11.8794 12.2045 12.2045 13.2228 13.2228 13.4180 13.4180 14.1973 14.1973 14.4022 14.4022 k = 0.0581 0.0336-0.0000 ( 2681 PWs) bands (ev): -2.1770 -2.1770 0.9430 0.9430 4.6878 4.6878 5.4785 5.4785 5.5009 5.5009 5.7200 5.7200 6.8087 6.8087 7.1179 7.1179 7.7687 7.7687 8.5190 8.5190 9.1253 9.1253 9.6452 9.6452 9.8763 9.8763 11.7475 11.7475 12.1935 12.1935 13.1666 13.1666 13.5102 13.5102 14.2023 14.2023 14.4706 14.4706 k = 0.0698 0.0403-0.0000 ( 2683 PWs) bands (ev): -2.1616 -2.1616 0.9307 0.9307 4.7079 4.7079 5.4736 5.4736 5.5130 5.5130 5.7376 5.7376 6.8007 6.8007 7.1111 7.1111 7.7555 7.7555 8.5097 8.5097 9.1177 9.1177 9.6214 9.6214 9.8560 9.8560 11.6160 11.6160 12.1800 12.1800 13.1027 13.1027 13.5833 13.5833 14.2217 14.2217 14.5463 14.5463 k = 0.0814 0.0470-0.0000 ( 2681 PWs) bands (ev): -2.1434 -2.1434 0.9164 0.9164 4.7316 4.7316 5.4676 5.4676 5.5261 5.5261 5.7592 5.7592 6.7910 6.7910 7.1035 7.1035 7.7397 7.7397 8.4994 8.4994 9.1077 9.1077 9.5915 9.5915 9.8348 9.8348 11.4880 11.4880 12.1640 12.1640 13.0328 13.0328 13.6322 13.6322 14.2576 14.2576 14.6258 14.6258 k = 0.0930 0.0537-0.0000 ( 2677 PWs) bands (ev): -2.1225 -2.1225 0.9002 0.9002 4.7588 4.7588 5.4605 5.4605 5.5397 5.5397 5.7851 5.7851 6.7793 6.7793 7.0952 7.0952 7.7210 7.7210 8.4886 8.4886 9.0945 9.0945 9.5557 9.5557 9.8138 9.8138 11.3651 11.3651 12.1453 12.1453 12.9581 12.9581 13.6585 13.6585 14.3073 14.3073 14.7060 14.7060 k = 0.1047 0.0604-0.0000 ( 2675 PWs) bands (ev): -2.0989 -2.0989 0.8823 0.8823 4.7894 4.7894 5.4521 5.4521 5.5536 5.5536 5.8154 5.8154 6.7656 6.7656 7.0865 7.0865 7.6994 7.6994 8.4776 8.4776 9.0771 9.0771 9.5148 9.5148 9.7941 9.7941 11.2481 11.2481 12.1237 12.1237 12.8792 12.8792 13.6679 13.6679 14.3650 14.3650 14.7839 14.7839 k = 0.1163 0.0671-0.0000 ( 2671 PWs) bands (ev): -2.0725 -2.0725 0.8626 0.8626 4.8234 4.8234 5.4423 5.4423 5.5674 5.5674 5.8501 5.8501 6.7497 6.7497 7.0776 7.0776 7.6748 7.6748 8.4665 8.4665 9.0540 9.0540 9.4710 9.4710 9.7759 9.7759 11.1371 11.1371 12.0990 12.0990 12.7966 12.7966 13.6668 13.6668 14.4250 14.4250 14.8573 14.8573 k = 0.1279 0.0738-0.0000 ( 2671 PWs) bands (ev): -2.0436 -2.0436 0.8414 0.8414 4.8606 4.8606 5.4309 5.4309 5.5810 5.5810 5.8892 5.8892 6.7312 6.7312 7.0689 7.0689 7.6474 7.6474 8.4557 8.4557 9.0238 9.0238 9.4272 9.4272 9.7594 9.7594 11.0318 11.0318 12.0709 12.0709 12.7108 12.7108 13.6599 13.6599 14.4832 14.4832 14.9244 14.9244 k = 0.1395 0.0806-0.0000 ( 2659 PWs) bands (ev): -2.0120 -2.0120 0.8188 0.8188 4.9009 4.9009 5.4178 5.4178 5.5943 5.5943 5.9324 5.9324 6.7099 6.7099 7.0607 7.0607 7.6173 7.6173 8.4454 8.4454 8.9851 8.9851 9.3867 9.3867 9.7443 9.7443 10.9315 10.9315 12.0391 12.0391 12.6222 12.6222 13.6503 13.6503 14.5371 14.5371 14.9841 14.9841 k = 0.1512 0.0873-0.0000 ( 2663 PWs) bands (ev): -1.9779 -1.9779 0.7948 0.7948 4.9442 4.9442 5.4028 5.4028 5.6072 5.6072 5.9796 5.9796 6.6856 6.6856 7.0535 7.0535 7.5847 7.5847 8.4357 8.4357 8.9378 8.9378 9.3518 9.3518 9.7304 9.7304 10.8354 10.8354 12.0031 12.0031 12.5309 12.5309 13.6397 13.6397 14.5853 14.5853 15.0348 15.0348 k = 0.1628 0.0940-0.0000 ( 2663 PWs) bands (ev): -1.9412 -1.9412 0.7697 0.7697 4.9902 4.9902 5.3858 5.3858 5.6198 5.6198 6.0303 6.0303 6.6582 6.6582 7.0475 7.0475 7.5499 7.5499 8.4265 8.4265 8.8829 8.8829 9.3232 9.3232 9.7174 9.7174 10.7426 10.7426 11.9626 11.9626 12.4373 12.4373 13.6292 13.6292 14.6274 14.6274 15.0753 15.0753 k = 0.1744 0.1007-0.0000 ( 2657 PWs) bands (ev): -1.9021 -1.9021 0.7436 0.7436 5.0385 5.0385 5.3665 5.3665 5.6319 5.6319 6.0843 6.0843 6.6277 6.6277 7.0431 7.0431 7.5135 7.5135 8.4177 8.4177 8.8229 8.8229 9.3007 9.3007 9.7051 9.7051 10.6524 10.6524 11.9170 11.9170 12.3416 12.3416 13.6189 13.6189 14.6631 14.6631 15.1045 15.1045 k = 0.1860 0.1074-0.0000 ( 2657 PWs) bands (ev): -1.8606 -1.8606 0.7164 0.7164 5.0884 5.0884 5.3453 5.3453 5.6437 5.6437 6.1411 6.1411 6.5943 6.5943 7.0407 7.0407 7.4759 7.4759 8.4088 8.4088 8.7607 8.7607 9.2832 9.2832 9.6932 9.6932 10.5641 10.5641 11.8660 11.8660 12.2442 12.2442 13.6091 13.6091 14.6929 14.6929 15.1220 15.1220 k = 0.1977 0.1141-0.0000 ( 2660 PWs) bands (ev): -1.8168 -1.8168 0.6885 0.6885 5.1379 5.1379 5.3234 5.3234 5.6550 5.6550 6.2001 6.2001 6.5586 6.5586 7.0405 7.0405 7.4379 7.4379 8.3993 8.3993 8.6993 8.6993 9.2696 9.2696 9.6814 9.6814 10.4775 10.4775 11.8089 11.8089 12.1453 12.1453 13.5993 13.5993 14.7174 14.7174 15.1284 15.1284 k = 0.2093 0.1208-0.0000 ( 2660 PWs) bands (ev): -1.7707 -1.7707 0.6598 0.6598 5.1810 5.1810 5.3063 5.3063 5.6660 5.6660 6.2601 6.2601 6.5220 6.5220 7.0428 7.0428 7.4001 7.4001 8.3880 8.3880 8.6418 8.6418 9.2589 9.2589 9.6696 9.6696 10.3921 10.3921 11.7455 11.7455 12.0453 12.0453 13.5892 13.5892 14.7373 14.7373 15.1255 15.1255 k = 0.2209 0.1276-0.0000 ( 2666 PWs) bands (ev): -1.7225 -1.7225 0.6305 0.6305 5.1979 5.1979 5.3128 5.3128 5.6767 5.6767 6.3179 6.3179 6.4879 6.4879 7.0479 7.0479 7.3630 7.3630 8.3732 8.3732 8.5912 8.5912 9.2502 9.2502 9.6573 9.6573 10.3080 10.3080 11.6753 11.6753 11.9443 11.9443 13.5785 13.5785 14.7536 14.7536 15.1157 15.1157 k = 0.2326 0.1343-0.0000 ( 2664 PWs) bands (ev): -1.6722 -1.6722 0.6006 0.6006 5.1781 5.1781 5.3527 5.3527 5.6871 5.6871 6.3602 6.3602 6.4704 6.4704 7.0558 7.0558 7.3274 7.3274 8.3527 8.3527 8.5505 8.5505 9.2432 9.2432 9.6442 9.6442 10.2254 10.2254 11.5982 11.5982 11.8425 11.8425 13.5667 13.5667 14.7672 14.7672 15.1018 15.1018 k = 0.2442 0.1410-0.0000 ( 2660 PWs) bands (ev): -1.6198 -1.6198 0.5702 0.5702 5.1398 5.1398 5.4067 5.4067 5.6977 5.6977 6.3577 6.3577 6.4992 6.4992 7.0668 7.0668 7.2937 7.2937 8.3256 8.3256 8.5214 8.5214 9.2374 9.2374 9.6297 9.6297 10.1448 10.1448 11.5142 11.5142 11.7402 11.7402 13.5537 13.5537 14.7791 14.7791 15.0862 15.0862 k = 0.2558 0.1477-0.0000 ( 2658 PWs) bands (ev): -1.5656 -1.5656 0.5393 0.5393 5.0923 5.0923 5.4644 5.4644 5.7090 5.7090 6.3278 6.3278 6.5577 6.5577 7.0811 7.0811 7.2625 7.2625 8.2928 8.2928 8.5028 8.5028 9.2325 9.2325 9.6130 9.6130 10.0669 10.0669 11.4234 11.4234 11.6374 11.6374 13.5393 13.5393 14.7900 14.7900 15.0710 15.0710 k = 0.2674 0.1544-0.0000 ( 2654 PWs) bands (ev): -1.5097 -1.5097 0.5081 0.5081 5.0379 5.0379 5.5216 5.5216 5.7222 5.7222 6.2930 6.2930 6.6238 6.6238 7.0989 7.0989 7.2343 7.2343 8.2573 8.2573 8.4923 8.4923 9.2283 9.2283 9.5928 9.5928 9.9931 9.9931 11.3262 11.3262 11.5339 11.5339 13.5235 13.5235 14.8008 14.8008 15.0578 15.0578 k = 0.2791 0.1611-0.0000 ( 2650 PWs) bands (ev): -1.4521 -1.4521 0.4764 0.4764 4.9777 4.9777 5.5745 5.5745 5.7394 5.7394 6.2595 6.2595 6.6919 6.6919 7.1201 7.1201 7.2099 7.2099 8.2216 8.2216 8.4871 8.4871 9.2245 9.2245 9.5676 9.5676 9.9252 9.9252 11.2232 11.2232 11.4300 11.4300 13.5066 13.5066 14.8118 14.8118 15.0476 15.0476 k = 0.2907 0.1678-0.0000 ( 2650 PWs) bands (ev): -1.3930 -1.3930 0.4443 0.4443 4.9124 4.9124 5.6182 5.6182 5.7642 5.7642 6.2298 6.2298 6.7596 6.7596 7.1439 7.1439 7.1913 7.1913 8.1874 8.1874 8.4853 8.4853 9.2212 9.2212 9.5353 9.5353 9.8652 9.8652 11.1148 11.1148 11.3256 11.3256 13.4887 13.4887 14.8234 14.8234 15.0412 15.0412 k = 0.3023 0.1745-0.0000 ( 2652 PWs) bands (ev): -1.3325 -1.3325 0.4118 0.4118 4.8428 4.8428 5.6488 5.6488 5.7986 5.7986 6.2057 6.2057 6.8249 6.8249 7.1595 7.1595 7.1907 7.1907 8.1559 8.1559 8.4858 8.4858 9.2179 9.2179 9.4944 9.4944 9.8152 9.8152 11.0015 11.0015 11.2210 11.2210 13.4704 13.4704 14.8356 14.8356 15.0388 15.0388 k = 0.3140 0.1813-0.0000 ( 2650 PWs) bands (ev): -1.2708 -1.2708 0.3789 0.3789 4.7698 4.7698 5.6676 5.6676 5.8390 5.8390 6.1893 6.1893 6.8857 6.8857 7.1560 7.1560 7.2210 7.2210 8.1276 8.1276 8.4878 8.4878 9.2146 9.2146 9.4447 9.4447 9.7756 9.7756 10.8839 10.8839 11.1167 11.1167 13.4518 13.4518 14.8484 14.8484 15.0405 15.0405 k = 0.3256 0.1880-0.0000 ( 2650 PWs) bands (ev): -1.2081 -1.2081 0.3456 0.3456 4.6944 4.6944 5.6789 5.6789 5.8781 5.8781 6.1833 6.1833 6.9391 6.9391 7.1550 7.1550 7.2634 7.2634 8.1027 8.1027 8.4909 8.4909 9.2108 9.2108 9.3882 9.3882 9.7453 9.7453 10.7624 10.7624 11.0131 11.0131 13.4335 13.4335 14.8617 14.8617 15.0463 15.0463 k = 0.3372 0.1947-0.0000 ( 2656 PWs) bands (ev): -1.1446 -1.1446 0.3117 0.3117 4.6177 4.6177 5.6857 5.6857 5.9089 5.9089 6.1904 6.1904 6.9825 6.9825 7.1627 7.1627 7.3141 7.3141 8.0816 8.0816 8.4947 8.4947 9.2051 9.2051 9.3285 9.3285 9.7220 9.7220 10.6374 10.6374 10.9108 10.9108 13.4157 13.4157 14.8752 14.8752 15.0558 15.0558 k = 0.3488 0.2014-0.0000 ( 2648 PWs) bands (ev): -1.0804 -1.0804 0.2772 0.2772 4.5407 4.5407 5.6898 5.6898 5.9282 5.9282 6.2110 6.2110 7.0152 7.0152 7.1802 7.1802 7.3726 7.3726 8.0642 8.0642 8.4990 8.4990 9.1930 9.1930 9.2730 9.2730 9.7037 9.7037 10.5095 10.5095 10.8104 10.8104 13.3987 13.3987 14.8890 14.8890 15.0686 15.0686 k = 0.3605 0.2081-0.0000 ( 2642 PWs) bands (ev): -1.0157 -1.0157 0.2421 0.2421 4.4644 4.4644 5.6923 5.6923 5.9368 5.9368 6.2422 6.2422 7.0402 7.0402 7.2053 7.2053 7.4382 7.4382 8.0505 8.0505 8.5037 8.5037 9.1606 9.1606 9.2374 9.2374 9.6887 9.6887 10.3793 10.3793 10.7125 10.7125 13.3826 13.3826 14.9031 14.9031 15.0841 15.0841 k = 0.3721 0.2148-0.0000 ( 2646 PWs) bands (ev): -0.9508 -0.9508 0.2062 0.2062 4.3900 4.3900 5.6936 5.6936 5.9381 5.9381 6.2788 6.2788 7.0627 7.0627 7.2339 7.2339 7.5094 7.5094 8.0404 8.0404 8.5084 8.5084 9.1074 9.1074 9.2240 9.2240 9.6757 9.6757 10.2474 10.2474 10.6177 10.6177 13.3677 13.3677 14.9175 14.9175 15.1015 15.1015 k = 0.3837 0.2215-0.0000 ( 2640 PWs) bands (ev): -0.8859 -0.8859 0.1695 0.1695 4.3184 4.3184 5.6940 5.6940 5.9355 5.9355 6.3160 6.3160 7.0866 7.0866 7.2630 7.2630 7.5847 7.5847 8.0337 8.0337 8.5133 8.5133 9.0495 9.0495 9.2183 9.2183 9.6641 9.6641 10.1146 10.1146 10.5268 10.5268 13.3540 13.3540 14.9323 14.9323 15.1203 15.1203 k = 0.3953 0.2283-0.0000 ( 2638 PWs) bands (ev): -0.8211 -0.8211 0.1317 0.1317 4.2505 4.2505 5.6940 5.6940 5.9310 5.9310 6.3507 6.3507 7.1143 7.1143 7.2908 7.2908 7.6627 7.6627 8.0301 8.0301 8.5180 8.5180 8.9938 8.9938 9.2149 9.2149 9.6529 9.6529 9.9818 9.9818 10.4405 10.4405 13.3416 13.3416 14.9473 14.9473 15.1397 15.1397 k = 0.4070 0.2350-0.0000 ( 2638 PWs) bands (ev): -0.7569 -0.7569 0.0928 0.0928 4.1873 4.1873 5.6935 5.6935 5.9259 5.9259 6.3810 6.3810 7.1464 7.1464 7.3162 7.3162 7.7416 7.7416 8.0294 8.0294 8.5227 8.5227 8.9432 8.9432 9.2122 9.2122 9.6416 9.6416 9.8499 9.8499 10.3597 10.3597 13.3306 13.3306 14.9627 14.9627 15.1593 15.1593 k = 0.4186 0.2417-0.0000 ( 2638 PWs) bands (ev): -0.6933 -0.6933 0.0527 0.0527 4.1294 4.1294 5.6928 5.6928 5.9209 5.9209 6.4063 6.4063 7.1826 7.1826 7.3388 7.3388 7.8185 7.8185 8.0325 8.0325 8.5272 8.5272 8.8998 8.8998 9.2098 9.2098 9.6282 9.6282 9.7215 9.7215 10.2853 10.2853 13.3209 13.3209 14.9780 14.9780 15.1785 15.1785 k = 0.4302 0.2484-0.0000 ( 2634 PWs) bands (ev): -0.6306 -0.6306 0.0113 0.0113 4.0777 4.0777 5.6920 5.6920 5.9162 5.9162 6.4265 6.4265 7.2217 7.2217 7.3581 7.3581 7.8871 7.8871 8.0435 8.0435 8.5316 8.5316 8.8652 8.8652 9.2073 9.2073 9.5777 9.5777 9.6326 9.6326 10.2185 10.2185 13.3125 13.3125 14.9931 14.9931 15.1970 15.1970 k = 0.4419 0.2551-0.0000 ( 2638 PWs) bands (ev): -0.5692 -0.5692 -0.0316 -0.0316 4.0328 4.0328 5.6911 5.6911 5.9121 5.9121 6.4421 6.4421 7.2619 7.2619 7.3742 7.3742 7.9339 7.9339 8.0732 8.0732 8.5360 8.5360 8.8412 8.8412 9.2043 9.2043 9.4600 9.4600 9.6146 9.6146 10.1603 10.1603 13.3054 13.3054 15.0074 15.0074 15.2142 15.2142 k = 0.4535 0.2618-0.0000 ( 2634 PWs) bands (ev): -0.5092 -0.5092 -0.0759 -0.0759 3.9953 3.9953 5.6904 5.6904 5.9087 5.9087 6.4537 6.4537 7.3008 7.3008 7.3870 7.3870 7.9519 7.9519 8.1259 8.1259 8.5407 8.5407 8.8290 8.8290 9.1993 9.1993 9.3434 9.3434 9.6026 9.6026 10.1118 10.1118 13.2997 13.2997 15.0204 15.0204 15.2299 15.2299 k = 0.4651 0.2685-0.0000 ( 2642 PWs) bands (ev): -0.4512 -0.4512 -0.1214 -0.1214 3.9656 3.9656 5.6897 5.6897 5.9060 5.9060 6.4620 6.4620 7.3360 7.3360 7.3966 7.3966 7.9531 7.9531 8.1862 8.1862 8.5459 8.5459 8.8301 8.8301 9.1809 9.1809 9.2465 9.2465 9.5921 9.5921 10.0735 10.0735 13.2952 13.2952 15.0314 15.0314 15.2434 15.2434 k = 0.4767 0.2752-0.0000 ( 2642 PWs) bands (ev): -0.3960 -0.3960 -0.1676 -0.1676 3.9441 3.9441 5.6891 5.6891 5.9041 5.9041 6.4674 6.4674 7.3645 7.3645 7.4031 7.4031 7.9485 7.9485 8.2392 8.2392 8.5516 8.5516 8.8464 8.8464 9.1070 9.1070 9.2145 9.2145 9.5836 9.5836 10.0461 10.0461 13.2921 13.2921 15.0399 15.0399 15.2540 15.2540 k = 0.4884 0.2820-0.0000 ( 2646 PWs) bands (ev): -0.3464 -0.3464 -0.2117 -0.2117 3.9311 3.9311 5.6888 5.6888 5.9029 5.9029 6.4705 6.4705 7.3835 7.3835 7.4066 7.4066 7.9436 7.9436 8.2751 8.2751 8.5566 8.5566 8.8795 8.8795 9.0212 9.0212 9.2092 9.2092 9.5780 9.5780 10.0296 10.0296 13.2902 13.2902 15.0452 15.0452 15.2609 15.2609 k = 0.5000 0.2887-0.0000 ( 2650 PWs) bands (ev): -0.3193 -0.3193 -0.2369 -0.2369 3.9267 3.9267 5.6887 5.6887 5.9025 5.9025 6.4715 6.4715 7.3903 7.3903 7.4075 7.4075 7.9416 7.9416 8.2878 8.2878 8.5587 8.5587 8.9139 8.9139 8.9678 8.9678 9.2080 9.2080 9.5760 9.5760 10.0241 10.0241 13.2896 13.2896 15.0471 15.0471 15.2633 15.2633 k = 0.5000 0.2887-0.0000 ( 2650 PWs) bands (ev): -0.3193 -0.3193 -0.2369 -0.2369 3.9267 3.9267 5.6887 5.6887 5.9025 5.9025 6.4715 6.4715 7.3903 7.3903 7.4075 7.4075 7.9416 7.9416 8.2878 8.2878 8.5587 8.5587 8.9139 8.9139 8.9678 8.9678 9.2080 9.2080 9.5760 9.5760 10.0241 10.0241 13.2896 13.2896 15.0471 15.0471 15.2633 15.2633 k = 0.4933 0.3002-0.0000 ( 2646 PWs) bands (ev): -0.3190 -0.3190 -0.2361 -0.2361 3.9265 3.9265 5.6877 5.6877 5.9020 5.9020 6.4724 6.4724 7.3617 7.3617 7.4295 7.4295 7.9404 7.9404 8.2855 8.2855 8.5648 8.5648 8.9051 8.9051 8.9766 8.9766 9.2084 9.2084 9.5802 9.5802 10.0295 10.0295 13.2854 13.2854 14.9737 14.9737 15.3072 15.3072 k = 0.4867 0.3118-0.0000 ( 2654 PWs) bands (ev): -0.3182 -0.3182 -0.2340 -0.2340 3.9258 3.9258 5.6848 5.6848 5.9003 5.9003 6.4751 6.4751 7.3197 7.3197 7.4520 7.4520 7.9368 7.9368 8.2801 8.2801 8.5820 8.5820 8.8869 8.8869 8.9953 8.9953 9.2097 9.2097 9.5917 9.5917 10.0459 10.0459 13.2730 13.2730 14.8306 14.8306 15.3662 15.3662 k = 0.4800 0.3233-0.0000 ( 2654 PWs) bands (ev): -0.3168 -0.3168 -0.2303 -0.2303 3.9246 3.9246 5.6799 5.6799 5.8975 5.8975 6.4795 6.4795 7.2713 7.2713 7.4689 7.4689 7.9298 7.9298 8.2749 8.2749 8.6072 8.6072 8.8666 8.8666 9.0183 9.0183 9.2119 9.2119 9.6082 9.6082 10.0736 10.0736 13.2519 13.2519 14.6668 14.6668 15.4053 15.4053 k = 0.4733 0.3349-0.0000 ( 2654 PWs) bands (ev): -0.3147 -0.3147 -0.2253 -0.2253 3.9229 3.9229 5.6733 5.6733 5.8934 5.8934 6.4856 6.4856 7.2173 7.2173 7.4804 7.4804 7.9187 7.9187 8.2735 8.2735 8.6372 8.6372 8.8465 8.8465 9.0447 9.0447 9.2152 9.2152 9.6267 9.6267 10.1130 10.1130 13.2216 13.2216 14.4944 14.4944 15.4231 15.4231 k = 0.4667 0.3464-0.0000 ( 2654 PWs) bands (ev): -0.3121 -0.3121 -0.2190 -0.2190 3.9207 3.9207 5.6651 5.6651 5.8881 5.8881 6.4932 6.4932 7.1587 7.1587 7.4876 7.4876 7.9023 7.9023 8.2790 8.2790 8.6689 8.6689 8.8277 8.8277 9.0746 9.0746 9.2207 9.2207 9.6447 9.6447 10.1637 10.1637 13.1816 13.1816 14.3181 14.3181 15.4063 15.4063 k = 0.4600 0.3580-0.0000 ( 2650 PWs) bands (ev): -0.3089 -0.3089 -0.2114 -0.2114 3.9177 3.9177 5.6555 5.6555 5.8812 5.8812 6.5021 6.5021 7.0969 7.0969 7.4914 7.4914 7.8805 7.8805 8.2927 8.2927 8.7003 8.7003 8.8107 8.8107 9.1068 9.1068 9.2303 9.2303 9.6608 9.6608 10.2245 10.2245 13.1312 13.1312 14.1404 14.1404 15.3433 15.3433 k = 0.4533 0.3695-0.0000 ( 2648 PWs) bands (ev): -0.3050 -0.3050 -0.2028 -0.2028 3.9141 3.9141 5.6447 5.6447 5.8728 5.8728 6.5120 6.5120 7.0332 7.0332 7.4928 7.4928 7.8539 7.8539 8.3145 8.3145 8.7300 8.7300 8.7955 8.7955 9.1372 9.1372 9.2489 9.2489 9.6743 9.6743 10.2933 10.2933 13.0698 13.0698 13.9627 13.9627 15.2531 15.2531 k = 0.4467 0.3811-0.0000 ( 2644 PWs) bands (ev): -0.3006 -0.3006 -0.1932 -0.1932 3.9095 3.9095 5.6330 5.6330 5.8627 5.8627 6.5224 6.5224 6.9693 6.9693 7.4927 7.4927 7.8239 7.8239 8.3430 8.3430 8.7576 8.7576 8.7823 8.7823 9.1597 9.1597 9.2824 9.2824 9.6855 9.6855 10.3682 10.3682 12.9969 12.9969 13.7861 13.7861 15.1555 15.1555 k = 0.4400 0.3926-0.0000 ( 2640 PWs) bands (ev): -0.2955 -0.2955 -0.1828 -0.1828 3.9041 3.9041 5.6206 5.6206 5.8506 5.8506 6.5329 6.5329 6.9071 6.9071 7.4918 7.4918 7.7919 7.7919 8.3764 8.3764 8.7691 8.7691 8.7855 8.7855 9.1728 9.1728 9.3318 9.3318 9.6950 9.6950 10.4470 10.4470 12.9125 12.9125 13.6113 13.6113 15.0606 15.0606 k = 0.4333 0.4041-0.0000 ( 2642 PWs) bands (ev): -0.2897 -0.2897 -0.1718 -0.1718 3.8977 3.8977 5.6077 5.6077 5.8364 5.8364 6.5423 6.5423 6.8487 6.8487 7.4906 7.4906 7.7593 7.7593 8.4126 8.4126 8.7593 8.7593 8.8112 8.8112 9.1799 9.1799 9.3926 9.3926 9.7035 9.7035 10.5279 10.5279 12.8168 12.8168 13.4389 13.4389 14.9727 14.9727 k = 0.4267 0.4157-0.0000 ( 2646 PWs) bands (ev): -0.2834 -0.2834 -0.1604 -0.1604 3.8901 3.8901 5.5947 5.5947 5.8200 5.8200 6.5490 6.5490 6.7969 6.7969 7.4893 7.4893 7.7272 7.7272 8.4493 8.4493 8.7504 8.7504 8.8384 8.8384 9.1840 9.1840 9.4601 9.4601 9.7122 9.7122 10.6092 10.6092 12.7105 12.7105 13.2693 13.2693 14.8939 14.8939 k = 0.4200 0.4272-0.0000 ( 2648 PWs) bands (ev): -0.2764 -0.2764 -0.1488 -0.1488 3.8814 3.8814 5.5818 5.5818 5.8016 5.8016 6.5504 6.5504 6.7551 6.7551 7.4883 7.4883 7.6966 7.6966 8.4843 8.4843 8.7427 8.7427 8.8682 8.8682 9.1866 9.1866 9.5300 9.5300 9.7236 9.7236 10.6896 10.6896 12.5949 12.5949 13.1029 13.1029 14.8247 14.8247 k = 0.4133 0.4388-0.0000 ( 2648 PWs) bands (ev): -0.2688 -0.2688 -0.1372 -0.1372 3.8716 3.8716 5.5691 5.5691 5.7811 5.7811 6.5433 6.5433 6.7269 6.7269 7.4877 7.4877 7.6682 7.6682 8.5159 8.5159 8.7364 8.7364 8.9018 8.9018 9.1883 9.1883 9.5952 9.5952 9.7435 9.7435 10.7682 10.7682 12.4715 12.4715 12.9401 12.9401 14.7650 14.7650 k = 0.4067 0.4503-0.0000 ( 2640 PWs) bands (ev): -0.2605 -0.2605 -0.1259 -0.1259 3.8606 3.8606 5.5569 5.5569 5.7588 5.7588 6.5270 6.5270 6.7132 6.7132 7.4875 7.4875 7.6424 7.6424 8.5424 8.5424 8.7315 8.7315 8.9399 8.9399 9.1897 9.1897 9.6432 9.6432 9.7840 9.7840 10.8440 10.8440 12.3421 12.3421 12.7813 12.7813 14.7142 14.7142 k = 0.4000 0.4619-0.0000 ( 2640 PWs) bands (ev): -0.2517 -0.2517 -0.1151 -0.1151 3.8485 3.8485 5.5454 5.5454 5.7354 5.7354 6.5047 6.5047 6.7110 6.7110 7.4877 7.4877 7.6196 7.6196 8.5631 8.5631 8.7281 8.7281 8.9825 8.9825 9.1909 9.1909 9.6680 9.6680 9.8502 9.8502 10.9163 10.9163 12.2085 12.2085 12.6269 12.6269 14.6713 14.6713 k = 0.3933 0.4734-0.0000 ( 2634 PWs) bands (ev): -0.2423 -0.2423 -0.1052 -0.1052 3.8355 3.8355 5.5347 5.5347 5.7115 5.7115 6.4807 6.4807 6.7154 6.7154 7.4884 7.4884 7.6002 7.6002 8.5780 8.5780 8.7262 8.7262 9.0285 9.0285 9.1924 9.1924 9.6794 9.6794 9.9321 9.9321 10.9844 10.9844 12.0727 12.0727 12.4775 12.4775 14.6355 14.6355 k = 0.3867 0.4850-0.0000 ( 2638 PWs) bands (ev): -0.2323 -0.2323 -0.0964 -0.0964 3.8218 3.8218 5.5248 5.5248 5.6877 5.6877 6.4580 6.4580 6.7228 6.7228 7.4896 7.4896 7.5842 7.5842 8.5879 8.5879 8.7256 8.7256 9.0761 9.0761 9.1949 9.1949 9.6851 9.6851 10.0217 10.0217 11.0475 11.0475 11.9371 11.9371 12.3339 12.3339 14.6059 14.6059 k = 0.3800 0.4965-0.0000 ( 2634 PWs) bands (ev): -0.2218 -0.2218 -0.0891 -0.0891 3.8078 3.8078 5.5160 5.5160 5.6648 5.6648 6.4381 6.4381 6.7313 6.7313 7.4912 7.4912 7.5716 7.5716 8.5936 8.5936 8.7262 8.7262 9.1217 9.1217 9.2003 9.2003 9.6882 9.6882 10.1153 10.1153 11.1042 11.1042 11.8043 11.8043 12.1969 12.1969 14.5817 14.5817 k = 0.3733 0.5081-0.0000 ( 2634 PWs) bands (ev): -0.2108 -0.2108 -0.0837 -0.0837 3.7938 3.7938 5.5082 5.5082 5.6438 5.6438 6.4215 6.4215 6.7394 6.7394 7.4934 7.4934 7.5621 7.5621 8.5963 8.5963 8.7275 8.7275 9.1567 9.1567 9.2155 9.2155 9.6899 9.6899 10.2116 10.2116 11.1517 11.1517 11.6786 11.6786 12.0677 12.0677 14.5621 14.5621 k = 0.3667 0.5196-0.0000 ( 2638 PWs) bands (ev): -0.1994 -0.1994 -0.0802 -0.0802 3.7803 3.7803 5.5016 5.5016 5.6251 5.6251 6.4081 6.4081 6.7467 6.7467 7.4961 7.4961 7.5553 7.5553 8.5969 8.5969 8.7294 8.7294 9.1725 9.1725 9.2470 9.2470 9.6908 9.6908 10.3094 10.3094 11.1829 11.1829 11.5685 11.5685 11.9476 11.9476 14.5465 14.5465 k = 0.3600 0.5312-0.0000 ( 2642 PWs) bands (ev): -0.1877 -0.1877 -0.0791 -0.0791 3.7679 3.7679 5.4960 5.4960 5.6094 5.6094 6.3978 6.3978 6.7527 6.7527 7.4992 7.4992 7.5508 7.5508 8.5963 8.5963 8.7315 8.7315 9.1779 9.1779 9.2844 9.2844 9.6912 9.6912 10.4078 10.4078 11.1815 11.1815 11.4921 11.4921 11.8382 11.8382 14.5345 14.5345 k = 0.3533 0.5427-0.0000 ( 2636 PWs) bands (ev): -0.1760 -0.1760 -0.0803 -0.0803 3.7572 3.7572 5.4916 5.4916 5.5970 5.5970 6.3903 6.3903 6.7573 6.7573 7.5024 7.5024 7.5480 7.5480 8.5951 8.5951 8.7336 8.7336 9.1800 9.1800 9.3185 9.3185 9.6914 9.6914 10.5057 10.5057 11.1318 11.1318 11.4670 11.4670 11.7414 11.7414 14.5256 14.5256 k = 0.3467 0.5543-0.0000 ( 2638 PWs) bands (ev): -0.1649 -0.1649 -0.0836 -0.0836 3.7488 3.7488 5.4884 5.4884 5.5882 5.5882 6.3853 6.3853 6.7604 6.7604 7.5054 7.5054 7.5466 7.5466 8.5938 8.5938 8.7355 8.7355 9.1810 9.1810 9.3452 9.3452 9.6914 9.6914 10.6004 10.6004 11.0501 11.0501 11.4802 11.4802 11.6591 11.6591 14.5195 14.5195 k = 0.3400 0.5658-0.0000 ( 2638 PWs) bands (ev): -0.1557 -0.1557 -0.0879 -0.0879 3.7433 3.7433 5.4864 5.4864 5.5830 5.5830 6.3825 6.3825 6.7622 6.7622 7.5077 7.5077 7.5461 7.5461 8.5929 8.5929 8.7368 8.7368 9.1814 9.1814 9.3623 9.3623 9.6913 9.6913 10.6844 10.6844 10.9666 10.9666 11.5099 11.5099 11.5934 11.5934 14.5160 14.5160 k = 0.3333 0.5774-0.0000 ( 2640 PWs) bands (ev): -0.1516 -0.1516 -0.0903 -0.0903 3.7414 3.7414 5.4857 5.4857 5.5813 5.5813 6.3816 6.3816 6.7627 6.7627 7.5085 7.5085 7.5461 7.5461 8.5925 8.5925 8.7374 8.7374 9.1815 9.1815 9.3682 9.3682 9.6913 9.6913 10.7263 10.7263 10.9238 10.9238 11.5430 11.5430 11.5489 11.5489 14.5149 14.5149 k = 0.3333 0.5774-0.0000 ( 2640 PWs) bands (ev): -0.1516 -0.1516 -0.0903 -0.0903 3.7414 3.7414 5.4857 5.4857 5.5813 5.5813 6.3816 6.3816 6.7627 6.7627 7.5085 7.5085 7.5461 7.5461 8.5925 8.5925 8.7374 8.7374 9.1815 9.1815 9.3682 9.3682 9.6913 9.6913 10.7263 10.7263 10.9238 10.9238 11.5430 11.5430 11.5489 11.5489 14.5149 14.5149 k = 0.3265 0.5656-0.0000 ( 2628 PWs) bands (ev): -0.1569 -0.1569 -0.0867 -0.0867 3.7436 3.7436 5.4864 5.4864 5.5830 5.5830 6.3824 6.3824 6.7622 6.7622 7.5075 7.5075 7.5459 7.5459 8.5929 8.5929 8.7367 8.7367 9.1814 9.1814 9.3620 9.3620 9.6914 9.6914 10.6860 10.6860 10.9659 10.9659 11.5182 11.5182 11.5854 11.5854 14.5161 14.5161 k = 0.3197 0.5538-0.0000 ( 2636 PWs) bands (ev): -0.1725 -0.1725 -0.0767 -0.0767 3.7506 3.7506 5.4886 5.4886 5.5880 5.5880 6.3848 6.3848 6.7607 6.7607 7.5039 7.5039 7.5452 7.5452 8.5940 8.5940 8.7342 8.7342 9.1810 9.1810 9.3437 9.3437 9.6916 9.6916 10.6125 10.6125 11.0453 11.0453 11.5126 11.5126 11.6262 11.6262 14.5194 14.5194 k = 0.3129 0.5420-0.0000 ( 2648 PWs) bands (ev): -0.1958 -0.1958 -0.0627 -0.0627 3.7627 3.7627 5.4921 5.4921 5.5962 5.5962 6.3885 6.3885 6.7584 6.7584 7.4974 7.4974 7.5435 7.5435 8.5955 8.5955 8.7294 8.7294 9.1800 9.1800 9.3147 9.3147 9.6923 9.6923 10.5391 10.5391 11.1294 11.1294 11.5291 11.5291 11.6685 11.6685 14.5249 14.5249 k = 0.3061 0.5302-0.0000 ( 2648 PWs) bands (ev): -0.2250 -0.2250 -0.0464 -0.0464 3.7803 3.7803 5.4968 5.4968 5.6072 5.6072 6.3932 6.3932 6.7554 6.7554 7.4874 7.4874 7.5406 7.5406 8.5966 8.5966 8.7220 8.7220 9.1776 9.1776 9.2784 9.2784 9.6935 9.6935 10.4737 10.4737 11.2101 11.2101 11.5665 11.5665 11.7131 11.7131 14.5326 14.5326 k = 0.2993 0.5184-0.0000 ( 2640 PWs) bands (ev): -0.2592 -0.2592 -0.0287 -0.0287 3.8036 3.8036 5.5027 5.5027 5.6210 5.6210 6.3988 6.3988 6.7517 6.7517 7.4734 7.4734 7.5364 7.5364 8.5955 8.5955 8.7123 8.7123 9.1709 9.1709 9.2405 9.2405 9.6953 9.6953 10.4195 10.4195 11.2860 11.2860 11.6206 11.6206 11.7621 11.7621 14.5424 14.5424 k = 0.2925 0.5067-0.0000 ( 2646 PWs) bands (ev): -0.2981 -0.2981 -0.0099 -0.0099 3.8327 3.8327 5.5095 5.5095 5.6374 5.6374 6.4050 6.4050 6.7472 6.7472 7.4552 7.4552 7.5311 7.5311 8.5888 8.5888 8.7017 8.7017 9.1515 9.1515 9.2132 9.2132 9.6980 9.6980 10.3780 10.3780 11.3579 11.3579 11.6838 11.6838 11.8188 11.8188 14.5545 14.5545 k = 0.2857 0.4949-0.0000 ( 2646 PWs) bands (ev): -0.3412 -0.3412 0.0099 0.0099 3.8675 3.8675 5.5171 5.5171 5.6562 5.6562 6.4114 6.4114 6.7419 6.7419 7.4327 7.4327 7.5246 7.5246 8.5719 8.5719 8.6931 8.6931 9.1173 9.1173 9.2024 9.2024 9.7015 9.7015 10.3499 10.3499 11.4277 11.4277 11.7473 11.7473 11.8880 11.8880 14.5688 14.5688 k = 0.2789 0.4831-0.0000 ( 2642 PWs) bands (ev): -0.3882 -0.3882 0.0305 0.0305 3.9079 3.9079 5.5253 5.5253 5.6773 5.6773 6.4177 6.4177 6.7356 6.7356 7.4064 7.4064 7.5170 7.5170 8.5412 8.5412 8.6881 8.6881 9.0813 9.0813 9.1991 9.1991 9.7058 9.7058 10.3354 10.3354 11.4969 11.4969 11.8055 11.8055 11.9716 11.9716 14.5856 14.5856 k = 0.2721 0.4713-0.0000 ( 2638 PWs) bands (ev): -0.4386 -0.4386 0.0518 0.0518 3.9537 3.9537 5.5339 5.5339 5.7003 5.7003 6.4232 6.4232 6.7285 6.7285 7.3770 7.3770 7.5082 7.5082 8.4971 8.4971 8.6853 8.6853 9.0520 9.0520 9.1982 9.1982 9.7108 9.7108 10.3344 10.3344 11.5661 11.5661 11.8588 11.8588 12.0666 12.0666 14.6048 14.6048 k = 0.2653 0.4595-0.0000 ( 2638 PWs) bands (ev): -0.4922 -0.4922 0.0740 0.0740 4.0046 4.0046 5.5427 5.5427 5.7252 5.7252 6.4273 6.4273 6.7205 6.7205 7.3454 7.3454 7.4980 7.4980 8.4421 8.4421 8.6820 8.6820 9.0329 9.0329 9.1981 9.1981 9.7163 9.7163 10.3464 10.3464 11.6352 11.6352 11.9099 11.9099 12.1689 12.1689 14.6267 14.6267 k = 0.2585 0.4477-0.0000 ( 2650 PWs) bands (ev): -0.5486 -0.5486 0.0967 0.0967 4.0602 4.0602 5.5516 5.5516 5.7515 5.7515 6.4287 6.4287 6.7123 6.7123 7.3128 7.3128 7.4862 7.4862 8.3795 8.3795 8.6762 8.6762 9.0257 9.0257 9.1986 9.1986 9.7223 9.7223 10.3705 10.3705 11.7039 11.7039 11.9608 11.9608 12.2753 12.2753 14.6515 14.6515 k = 0.2517 0.4360-0.0000 ( 2644 PWs) bands (ev): -0.6073 -0.6073 0.1203 0.1203 4.1201 4.1201 5.5605 5.5605 5.7791 5.7791 6.4260 6.4260 6.7045 6.7045 7.2806 7.2806 7.4721 7.4721 8.3127 8.3127 8.6670 8.6670 9.0300 9.0300 9.1993 9.1993 9.7286 9.7286 10.4056 10.4056 11.7716 11.7716 12.0126 12.0126 12.3840 12.3840 14.6793 14.6793 k = 0.2449 0.4242-0.0000 ( 2656 PWs) bands (ev): -0.6681 -0.6681 0.1444 0.1444 4.1838 4.1838 5.5691 5.5691 5.8075 5.8075 6.4175 6.4175 6.6986 6.6986 7.2498 7.2498 7.4550 7.4550 8.2452 8.2452 8.6547 8.6547 9.0445 9.0445 9.2003 9.2003 9.7353 9.7353 10.4504 10.4504 11.8378 11.8378 12.0659 12.0659 12.4937 12.4937 14.7105 14.7105 k = 0.2381 0.4124-0.0000 ( 2656 PWs) bands (ev): -0.7304 -0.7304 0.1693 0.1693 4.2507 4.2507 5.5775 5.5775 5.8361 5.8361 6.4017 6.4017 6.6960 6.6960 7.2216 7.2216 7.4340 7.4340 8.1801 8.1801 8.6402 8.6402 9.0673 9.0673 9.2016 9.2016 9.7424 9.7424 10.5037 10.5037 11.9021 11.9021 12.1210 12.1210 12.6037 12.6037 14.7451 14.7451 k = 0.2313 0.4006-0.0000 ( 2656 PWs) bands (ev): -0.7941 -0.7941 0.1948 0.1948 4.3202 4.3202 5.5854 5.5854 5.8643 5.8643 6.3783 6.3783 6.6979 6.6979 7.1965 7.1965 7.4076 7.4076 8.1208 8.1208 8.6244 8.6244 9.0965 9.0965 9.2035 9.2035 9.7503 9.7503 10.5640 10.5640 11.9643 11.9643 12.1780 12.1780 12.7131 12.7131 14.7836 14.7836 k = 0.2245 0.3888-0.0000 ( 2652 PWs) bands (ev): -0.8586 -0.8586 0.2209 0.2209 4.3917 4.3917 5.5927 5.5927 5.8908 5.8908 6.3480 6.3480 6.7046 6.7046 7.1748 7.1748 7.3746 7.3746 8.0699 8.0699 8.6082 8.6082 9.1299 9.1299 9.2066 9.2066 9.7592 9.7592 10.6303 10.6303 12.0242 12.0242 12.2366 12.2366 12.8213 12.8213 14.8261 14.8261 k = 0.2177 0.3770-0.0000 ( 2658 PWs) bands (ev): -0.9237 -0.9237 0.2475 0.2475 4.4646 4.4646 5.5992 5.5992 5.9139 5.9139 6.3136 6.3136 6.7159 6.7159 7.1565 7.1565 7.3339 7.3339 8.0300 8.0300 8.5921 8.5921 9.1636 9.1636 9.2136 9.2136 9.7693 9.7693 10.7012 10.7012 12.0820 12.0820 12.2965 12.2965 12.9279 12.9279 14.8730 14.8730 k = 0.2109 0.3653-0.0000 ( 2666 PWs) bands (ev): -0.9891 -0.9891 0.2747 0.2747 4.5381 4.5381 5.6047 5.6047 5.9305 5.9305 6.2795 6.2795 6.7313 6.7313 7.1410 7.1410 7.2856 7.2856 8.0025 8.0025 8.5765 8.5765 9.1872 9.1872 9.2339 9.2339 9.7813 9.7813 10.7758 10.7758 12.1374 12.1374 12.3576 12.3576 13.0322 13.0322 14.9244 14.9244 k = 0.2041 0.3535-0.0000 ( 2666 PWs) bands (ev): -1.0545 -1.0545 0.3024 0.3024 4.6116 4.6116 5.6090 5.6090 5.9361 5.9361 6.2518 6.2518 6.7499 6.7499 7.1267 7.1267 7.2317 7.2317 7.9877 7.9877 8.5618 8.5618 9.1965 9.1965 9.2709 9.2709 9.7954 9.7954 10.8531 10.8531 12.1905 12.1905 12.4196 12.4196 13.1338 13.1338 14.9808 14.9808 k = 0.1973 0.3417-0.0000 ( 2662 PWs) bands (ev): -1.1196 -1.1196 0.3306 0.3306 4.6842 4.6842 5.6116 5.6116 5.9260 5.9260 6.2368 6.2368 6.7711 6.7711 7.1070 7.1070 7.1799 7.1799 7.9849 7.9849 8.5480 8.5480 9.2008 9.2008 9.3140 9.3140 9.8125 9.8125 10.9322 10.9322 12.2411 12.2411 12.4828 12.4828 13.2321 13.2321 15.0422 15.0422 k = 0.1905 0.3299-0.0000 ( 2662 PWs) bands (ev): -1.1842 -1.1842 0.3593 0.3593 4.7554 4.7554 5.6118 5.6118 5.8991 5.8991 6.2372 6.2372 6.7943 6.7943 7.0638 7.0638 7.1500 7.1500 7.9932 7.9932 8.5354 8.5354 9.2038 9.2038 9.3586 9.3586 9.8333 9.8333 11.0123 11.0123 12.2887 12.2887 12.5473 12.5473 13.3265 13.3265 15.1088 15.1088 k = 0.1837 0.3181-0.0000 ( 2658 PWs) bands (ev): -1.2480 -1.2480 0.3883 0.3883 4.8244 4.8244 5.6086 5.6086 5.8597 5.8597 6.2506 6.2506 6.8187 6.8187 6.9986 6.9986 7.1425 7.1425 8.0111 8.0111 8.5242 8.5242 9.2065 9.2065 9.4025 9.4025 9.8588 9.8588 11.0927 11.0927 12.3331 12.3331 12.6134 12.6134 13.4166 13.4166 15.1808 15.1808 k = 0.1769 0.3063-0.0000 ( 2658 PWs) bands (ev): -1.3109 -1.3109 0.4176 0.4176 4.8906 4.8906 5.5999 5.5999 5.8150 5.8150 6.2724 6.2724 6.8434 6.8434 6.9257 6.9257 7.1452 7.1452 8.0377 8.0377 8.5145 8.5145 9.2093 9.2093 9.4444 9.4444 9.8898 9.8898 11.1727 11.1727 12.3740 12.3740 12.6813 12.6813 13.5017 13.5017 15.2580 15.2580 k = 0.1701 0.2946-0.0000 ( 2658 PWs) bands (ev): -1.3726 -1.3726 0.4472 0.4472 4.9533 4.9533 5.5826 5.5826 5.7722 5.7722 6.2989 6.2989 6.8487 6.8487 6.8693 6.8693 7.1547 7.1547 8.0716 8.0716 8.5065 8.5065 9.2123 9.2123 9.4829 9.4829 9.9273 9.9273 11.2518 11.2518 12.4113 12.4113 12.7513 12.7513 13.5813 13.5813 15.3402 15.3402 k = 0.1633 0.2828-0.0000 ( 2658 PWs) bands (ev): -1.4330 -1.4330 0.4770 0.4770 5.0122 5.0122 5.5530 5.5530 5.7375 5.7375 6.3275 6.3275 6.7740 6.7740 6.8914 6.8914 7.1705 7.1705 8.1120 8.1120 8.5008 8.5008 9.2156 9.2156 9.5175 9.5175 9.9717 9.9717 11.3293 11.3293 12.4452 12.4452 12.8235 12.8235 13.6548 13.6548 15.4271 15.4271 k = 0.1565 0.2710-0.0000 ( 2650 PWs) bands (ev): -1.4919 -1.4919 0.5069 0.5069 5.0669 5.0669 5.5108 5.5108 5.7132 5.7132 6.3558 6.3558 6.7004 6.7004 6.9124 6.9124 7.1925 7.1925 8.1576 8.1576 8.4978 8.4978 9.2193 9.2193 9.5479 9.5479 10.0232 10.0232 11.4048 11.4048 12.4758 12.4758 12.8978 12.8978 13.7217 13.7217 15.5175 15.5175 k = 0.1497 0.2592-0.0000 ( 2653 PWs) bands (ev): -1.5492 -1.5492 0.5368 0.5368 5.1168 5.1168 5.4593 5.4593 5.6969 5.6969 6.3804 6.3804 6.6318 6.6318 6.9312 6.9312 7.2204 7.2204 8.2068 8.2068 8.4987 8.4987 9.2236 9.2236 9.5742 9.5742 10.0813 10.0813 11.4780 11.4780 12.5035 12.5035 12.9739 12.9739 13.7813 13.7813 15.6096 15.6096 k = 0.1429 0.2474-0.0000 ( 2657 PWs) bands (ev): -1.6047 -1.6047 0.5666 0.5666 5.1617 5.1617 5.4033 5.4033 5.6852 5.6852 6.3940 6.3940 6.5758 6.5758 6.9476 6.9476 7.2534 7.2534 8.2573 8.2573 8.5056 8.5056 9.2285 9.2285 9.5971 9.5971 10.1454 10.1454 11.5484 11.5484 12.5291 12.5291 13.0518 13.0518 13.8332 13.8332 15.6989 15.6989 k = 0.1361 0.2357-0.0000 ( 2659 PWs) bands (ev): -1.6583 -1.6583 0.5963 0.5963 5.2003 5.2003 5.3471 5.3471 5.6756 5.6756 6.3815 6.3815 6.5474 6.5474 6.9621 6.9621 7.2907 7.2907 8.3048 8.3048 8.5217 8.5217 9.2344 9.2344 9.6170 9.6170 10.2147 10.2147 11.6158 11.6158 12.5531 12.5531 13.1309 13.1309 13.8771 13.8771 15.7739 15.7739 k = 0.1293 0.2239-0.0000 ( 2657 PWs) bands (ev): -1.7098 -1.7098 0.6258 0.6258 5.2252 5.2252 5.3001 5.3001 5.6668 5.6668 6.3385 6.3385 6.5507 6.5507 6.9752 6.9752 7.3308 7.3308 8.3443 8.3443 8.5518 8.5518 9.2413 9.2413 9.6348 9.6348 10.2885 10.2885 11.6800 11.6800 12.5764 12.5764 13.2108 13.2108 13.9127 13.9127 15.8135 15.8135 k = 0.1224 0.2121-0.0000 ( 2657 PWs) bands (ev): -1.7593 -1.7593 0.6549 0.6549 5.2048 5.2048 5.2950 5.2950 5.6580 5.6580 6.2810 6.2810 6.5700 6.5700 6.9873 6.9873 7.3728 7.3728 8.3726 8.3726 8.5978 8.5978 9.2499 9.2499 9.6509 9.6509 10.3663 10.3663 11.7407 11.7407 12.5997 12.5997 13.2911 13.2911 13.9399 13.9399 15.8158 15.8158 k = 0.1156 0.2003-0.0000 ( 2649 PWs) bands (ev): -1.8065 -1.8065 0.6836 0.6836 5.1550 5.1550 5.3171 5.3171 5.6489 5.6489 6.2198 6.2198 6.5945 6.5945 6.9988 6.9988 7.4154 7.4154 8.3914 8.3914 8.6570 8.6570 9.2605 9.2605 9.6660 9.6660 10.4475 10.4475 11.7979 11.7979 12.6239 12.6239 13.3710 13.3710 13.9588 13.9588 15.7989 15.7989 k = 0.1088 0.1885-0.0000 ( 2657 PWs) bands (ev): -1.8514 -1.8514 0.7116 0.7116 5.1018 5.1018 5.3411 5.3411 5.6392 5.6392 6.1588 6.1588 6.6203 6.6203 7.0100 7.0100 7.4577 7.4577 8.4046 8.4046 8.7237 8.7237 9.2739 9.2739 9.6804 9.6804 10.5319 10.5319 11.8512 11.8512 12.6498 12.6498 13.4500 13.4500 13.9698 13.9698 15.7717 15.7717 k = 0.1020 0.1767-0.0000 ( 2657 PWs) bands (ev): -1.8940 -1.8940 0.7389 0.7389 5.0497 5.0497 5.3633 5.3633 5.6289 5.6289 6.0997 6.0997 6.6456 6.6456 7.0210 7.0210 7.4990 7.4990 8.4151 8.4151 8.7928 8.7928 9.2911 9.2911 9.6945 9.6945 10.6195 10.6195 11.9008 11.9008 12.6783 12.6783 13.5271 13.5271 13.9734 13.9734 15.7364 15.7364 k = 0.0952 0.1650-0.0000 ( 2665 PWs) bands (ev): -1.9341 -1.9341 0.7654 0.7654 4.9997 4.9997 5.3831 5.3831 5.6180 5.6180 6.0435 6.0435 6.6699 6.6699 7.0319 7.0319 7.5385 7.5385 8.4246 8.4246 8.8599 8.8599 9.3133 9.3133 9.7086 9.7086 10.7104 10.7104 11.9465 11.9465 12.7102 12.7102 13.6011 13.6011 13.9705 13.9705 15.6928 15.6928 k = 0.0884 0.1532-0.0000 ( 2665 PWs) bands (ev): -1.9717 -1.9717 0.7909 0.7909 4.9523 4.9523 5.4006 5.4006 5.6065 5.6065 5.9906 5.9906 6.6926 6.6926 7.0427 7.0427 7.5758 7.5758 8.4341 8.4341 8.9213 8.9213 9.3418 9.3418 9.7231 9.7231 10.8048 10.8048 11.9883 11.9883 12.7460 12.7460 13.6703 13.6703 13.9629 13.9629 15.6393 15.6393 k = 0.0816 0.1414-0.0000 ( 2661 PWs) bands (ev): -2.0067 -2.0067 0.8152 0.8152 4.9078 4.9078 5.4160 5.4160 5.5943 5.5943 5.9415 5.9415 6.7136 6.7136 7.0534 7.0534 7.6104 7.6104 8.4439 8.4439 8.9739 8.9739 9.3771 9.3771 9.7381 9.7381 10.9033 10.9033 12.0262 12.0262 12.7862 12.7862 13.7311 13.7311 13.9536 13.9536 15.5662 15.5662 k = 0.0748 0.1296-0.0000 ( 2671 PWs) bands (ev): -2.0391 -2.0391 0.8383 0.8383 4.8664 4.8664 5.4294 5.4294 5.5816 5.5816 5.8965 5.8965 6.7327 6.7327 7.0640 7.0640 7.6421 7.6421 8.4543 8.4543 9.0165 9.0165 9.4185 9.4185 9.7542 9.7542 11.0063 11.0063 12.0603 12.0603 12.8311 12.8311 13.7754 13.7754 13.9502 13.9502 15.4403 15.4403 k = 0.0680 0.1178-0.0000 ( 2675 PWs) bands (ev): -2.0689 -2.0689 0.8599 0.8599 4.8282 4.8282 5.4410 5.4410 5.5684 5.5684 5.8558 5.8558 6.7500 6.7500 7.0744 7.0744 7.6708 7.6708 8.4651 8.4651 9.0494 9.0494 9.4635 9.4635 9.7715 9.7715 11.1146 11.1146 12.0906 12.0906 12.8805 12.8805 13.7903 13.7903 13.9648 13.9648 15.2797 15.2797 k = 0.0612 0.1060-0.0000 ( 2679 PWs) bands (ev): -2.0959 -2.0959 0.8800 0.8800 4.7933 4.7933 5.4511 5.4511 5.5547 5.5547 5.8198 5.8198 6.7653 6.7653 7.0843 7.0843 7.6963 7.6963 8.4763 8.4763 9.0742 9.0742 9.5088 9.5088 9.7904 9.7904 11.2285 11.2285 12.1174 12.1174 12.9341 12.9341 13.7733 13.7733 13.9986 13.9986 15.1113 15.1113 k = 0.0544 0.0943-0.0000 ( 2683 PWs) bands (ev): -2.1201 -2.1201 0.8984 0.8984 4.7619 4.7619 5.4597 5.4597 5.5409 5.5409 5.7884 5.7884 6.7787 6.7787 7.0937 7.0937 7.7187 7.7187 8.4875 8.4875 9.0927 9.0927 9.5512 9.5512 9.8108 9.8108 11.3483 11.3483 12.1407 12.1407 12.9911 12.9911 13.7342 13.7342 14.0401 14.0401 14.9450 14.9450 k = 0.0476 0.0825-0.0000 ( 2679 PWs) bands (ev): -2.1416 -2.1416 0.9150 0.9150 4.7340 4.7340 5.4670 5.4670 5.5272 5.5272 5.7616 5.7616 6.7903 6.7903 7.1025 7.1025 7.7380 7.7380 8.4985 8.4985 9.1065 9.1065 9.5884 9.5884 9.8323 9.8323 11.4738 11.4738 12.1608 12.1608 13.0504 13.0504 13.6788 13.6788 14.0811 14.0811 14.7879 14.7879 k = 0.0408 0.0707-0.0000 ( 2683 PWs) bands (ev): -2.1602 -2.1602 0.9296 0.9296 4.7097 4.7097 5.4731 5.4731 5.5140 5.5140 5.7392 5.7392 6.8001 6.8001 7.1104 7.1104 7.7543 7.7543 8.5089 8.5089 9.1170 9.1170 9.6192 9.6192 9.8541 9.8541 11.6043 11.6043 12.1780 12.1780 13.1103 13.1103 13.6081 13.6081 14.1182 14.1182 14.6459 14.6459 k = 0.0340 0.0589-0.0000 ( 2681 PWs) bands (ev): -2.1761 -2.1761 0.9422 0.9422 4.6890 4.6890 5.4782 5.4782 5.5017 5.5017 5.7210 5.7210 6.8083 6.8083 7.1174 7.1174 7.7679 7.7679 8.5184 8.5184 9.1248 9.1248 9.6438 9.6438 9.8749 9.8749 11.7381 11.7381 12.1922 12.1922 13.1687 13.1687 13.5224 13.5224 14.1499 14.1499 14.5244 14.5244 k = 0.0272 0.0471-0.0000 ( 2673 PWs) bands (ev): -2.1890 -2.1890 0.9528 0.9528 4.6720 4.6720 5.4822 5.4822 5.4908 5.4908 5.7067 5.7067 6.8149 6.8149 7.1233 7.1233 7.7787 7.7787 8.5267 8.5267 9.1307 9.1307 9.6627 9.6627 9.8935 9.8935 11.8723 11.8723 12.2038 12.2038 13.2226 13.2226 13.4244 13.4244 14.1755 14.1755 14.4264 14.4264 k = 0.0204 0.0353-0.0000 ( 2673 PWs) bands (ev): -2.1991 -2.1991 0.9610 0.9610 4.6588 4.6588 5.4819 5.4819 5.4853 5.4853 5.6960 5.6960 6.8199 6.8199 7.1280 7.1280 7.7870 7.7870 8.5334 8.5334 9.1350 9.1350 9.6766 9.6766 9.9089 9.9089 12.0013 12.0013 12.2131 12.2131 13.2635 13.2635 13.3255 13.3255 14.1948 14.1948 14.3525 14.3525 k = 0.0136 0.0236-0.0000 ( 2671 PWs) bands (ev): -2.2064 -2.2064 0.9669 0.9669 4.6493 4.6493 5.4752 5.4752 5.4874 5.4874 5.6885 5.6885 6.8235 6.8235 7.1315 7.1315 7.7928 7.7928 8.5384 8.5384 9.1379 9.1379 9.6861 9.6861 9.9202 9.9202 12.1153 12.1153 12.2207 12.2207 13.2091 13.2091 13.3162 13.3162 14.2082 14.2082 14.3016 14.3016 k = 0.0068 0.0118-0.0000 ( 2667 PWs) bands (ev): -2.2107 -2.2107 0.9705 0.9705 4.6436 4.6436 5.4710 5.4710 5.4887 5.4887 5.6841 5.6841 6.8256 6.8256 7.1335 7.1335 7.7963 7.7963 8.5415 8.5415 9.1396 9.1396 9.6916 9.6916 9.9271 9.9271 12.1928 12.1928 12.2316 12.2316 13.1336 13.1336 13.3380 13.3380 14.2162 14.2162 14.2717 14.2717 k = 0.0000 0.0000 0.0000 ( 2667 PWs) bands (ev): -2.2122 -2.2122 0.9717 0.9717 4.6417 4.6417 5.4696 5.4696 5.4891 5.4891 5.6826 5.6826 6.8263 6.8263 7.1342 7.1342 7.7974 7.7974 8.5426 8.5426 9.1401 9.1401 9.6934 9.6934 9.9295 9.9295 12.2108 12.2108 12.2472 12.2472 13.1038 13.1038 13.3461 13.3461 14.2189 14.2189 14.2617 14.2617 k = 0.0000 0.0000 0.0000 ( 2667 PWs) bands (ev): -2.2122 -2.2122 0.9717 0.9717 4.6417 4.6417 5.4696 5.4696 5.4891 5.4891 5.6826 5.6826 6.8263 6.8263 7.1342 7.1342 7.7974 7.7974 8.5426 8.5426 9.1401 9.1401 9.6934 9.6934 9.9295 9.9295 12.2108 12.2108 12.2472 12.2472 13.1038 13.1038 13.3461 13.3461 14.2189 14.2189 14.2617 14.2617 k = 0.0000 0.0000 0.0136 ( 2667 PWs) bands (ev): -2.2107 -2.2107 0.9666 0.9666 4.6477 4.6477 5.4713 5.4713 5.4915 5.4915 5.6838 5.6838 6.8268 6.8268 7.1354 7.1354 7.7965 7.7965 8.5364 8.5364 9.1338 9.1338 9.6888 9.6888 9.9398 9.9398 12.1946 12.1946 12.2525 12.2525 13.0889 13.0889 13.3598 13.3598 14.2317 14.2317 14.2609 14.2609 k = 0.0000 0.0000 0.0271 ( 2667 PWs) bands (ev): -2.2064 -2.2064 0.9512 0.9512 4.6654 4.6654 5.4764 5.4764 5.4985 5.4985 5.6871 5.6871 6.8283 6.8283 7.1389 7.1389 7.7938 7.7938 8.5182 8.5182 9.1162 9.1162 9.6751 9.6751 9.9694 9.9694 12.1479 12.1479 12.2682 12.2682 13.0464 13.0464 13.3988 13.3988 14.2584 14.2584 14.2681 14.2681 k = 0.0000 0.0000 0.0407 ( 2667 PWs) bands (ev): -2.1992 -2.1992 0.9260 0.9260 4.6945 4.6945 5.4848 5.4848 5.5101 5.5101 5.6926 5.6926 6.8307 6.8307 7.1447 7.1447 7.7893 7.7893 8.4881 8.4881 9.0901 9.0901 9.6528 9.6528 10.0149 10.0149 12.0762 12.0762 12.2940 12.2940 12.9814 12.9814 13.4575 13.4575 14.2547 14.2547 14.3233 14.3233 k = 0.0000 0.0000 0.0542 ( 2667 PWs) bands (ev): -2.1891 -2.1891 0.8915 0.8915 4.7344 4.7344 5.4967 5.4967 5.5264 5.5264 5.7004 5.7004 6.8340 6.8340 7.1528 7.1528 7.7831 7.7831 8.4468 8.4468 9.0588 9.0588 9.6223 9.6223 10.0723 10.0723 11.9854 11.9854 12.3293 12.3293 12.8995 12.8995 13.5296 13.5296 14.2503 14.2503 14.3917 14.3917 k = 0.0000 0.0000 0.0678 ( 2667 PWs) bands (ev): -2.1761 -2.1761 0.8483 0.8483 4.7840 4.7840 5.5122 5.5122 5.5473 5.5473 5.7103 5.7103 6.8381 6.8381 7.1633 7.1633 7.7755 7.7755 8.3955 8.3955 9.0248 9.0248 9.5844 9.5844 10.1377 10.1377 11.8805 11.8805 12.3732 12.3732 12.8060 12.8060 13.6093 13.6093 14.2463 14.2463 14.4688 14.4688 k = 0.0000 0.0000 0.0813 ( 2667 PWs) bands (ev): -2.1603 -2.1603 0.7974 0.7974 4.8424 4.8424 5.5316 5.5316 5.5726 5.5726 5.7224 5.7224 6.8428 6.8428 7.1761 7.1761 7.7665 7.7665 8.3352 8.3352 8.9896 8.9896 9.5400 9.5400 10.2080 10.2080 11.7653 11.7653 12.4250 12.4250 12.7051 12.7051 13.6911 13.6911 14.2446 14.2446 14.5511 14.5511 k = 0.0000 0.0000 0.0949 ( 2667 PWs) bands (ev): -2.1416 -2.1416 0.7394 0.7394 4.9082 4.9082 5.5549 5.5549 5.6024 5.6024 5.7366 5.7366 6.8478 6.8478 7.1913 7.1913 7.7565 7.7565 8.2675 8.2675 8.9539 8.9539 9.4898 9.4898 10.2803 10.2803 11.6425 11.6425 12.4838 12.4838 12.6002 12.6002 13.7695 13.7695 14.2487 14.2487 14.6360 14.6360 k = 0.0000 0.0000 0.1084 ( 2667 PWs) bands (ev): -2.1201 -2.1201 0.6753 0.6753 4.9803 4.9803 5.5826 5.5826 5.6365 5.6365 5.7530 5.7530 6.8531 6.8531 7.2087 7.2087 7.7458 7.7458 8.1939 8.1939 8.9178 8.9178 9.4348 9.4348 10.3521 10.3521 11.5140 11.5140 12.4942 12.4942 12.5485 12.5485 13.8370 13.8370 14.2644 14.2644 14.7221 14.7221 k = 0.0000 0.0000 0.1220 ( 2649 PWs) bands (ev): -2.0956 -2.0956 0.6060 0.6060 5.0571 5.0571 5.6152 5.6152 5.6749 5.6749 5.7714 5.7714 6.8582 6.8582 7.2286 7.2286 7.7347 7.7347 8.1156 8.1156 8.8814 8.8814 9.3758 9.3758 10.4209 10.4209 11.3813 11.3813 12.3901 12.3901 12.6185 12.6185 13.8857 13.8857 14.2987 14.2987 14.8081 14.8081 k = 0.0000 0.0000 0.1355 ( 2649 PWs) bands (ev): -2.0685 -2.0685 0.5321 0.5321 5.1369 5.1369 5.6531 5.6531 5.7173 5.7173 5.7919 5.7919 6.8628 6.8628 7.2508 7.2508 7.7237 7.7237 8.0337 8.0337 8.8444 8.8444 9.3135 9.3135 10.4840 10.4840 11.2457 11.2457 12.2908 12.2908 12.6928 12.6928 13.9106 13.9106 14.3560 14.3560 14.8790 14.8790 k = 0.0000 0.0000 0.1491 ( 2649 PWs) bands (ev): -2.0385 -2.0385 0.4546 0.4546 5.2180 5.2180 5.6972 5.6972 5.7636 5.7636 5.8144 5.8144 6.8666 6.8666 7.2753 7.2753 7.7133 7.7133 7.9492 7.9492 8.8066 8.8066 9.2485 9.2485 10.5381 10.5381 11.1081 11.1081 12.1996 12.1996 12.7707 12.7707 13.9138 13.9138 14.4338 14.4338 14.8658 14.8658 k = 0.0000 0.0000 0.1626 ( 2649 PWs) bands (ev): -2.0058 -2.0058 0.3740 0.3740 5.2987 5.2987 5.7483 5.7483 5.8136 5.8136 5.8388 5.8388 6.8690 6.8690 7.3023 7.3023 7.7039 7.7039 7.8630 7.8630 8.7681 8.7681 9.1815 9.1815 10.5796 10.5796 10.9694 10.9694 12.1205 12.1205 12.8516 12.8516 13.9010 13.9010 14.5262 14.5262 14.8508 14.8508 k = 0.0000 0.0000 0.1762 ( 2655 PWs) bands (ev): -1.9704 -1.9704 0.2910 0.2910 5.3773 5.3773 5.8070 5.8070 5.8651 5.8651 5.8672 5.8672 6.8696 6.8696 7.3317 7.3317 7.6963 7.6963 7.7756 7.7756 8.7287 8.7287 9.1131 9.1131 10.6046 10.6046 10.8305 10.8305 12.0576 12.0576 12.9347 12.9347 13.8772 13.8772 14.6282 14.6282 14.8340 14.8340 k = 0.0000 0.0000 0.1897 ( 2655 PWs) bands (ev): -1.9322 -1.9322 0.2061 0.2061 5.4525 5.4525 5.8735 5.8735 5.8932 5.8932 5.9239 5.9239 6.8679 6.8679 7.3636 7.3636 7.6876 7.6876 7.6911 7.6911 8.6885 8.6885 9.0436 9.0436 10.6095 10.6095 10.6921 10.6921 12.0146 12.0146 13.0196 13.0196 13.8453 13.8453 14.7366 14.7366 14.8153 14.8153 k = 0.0000 0.0000 0.2033 ( 2643 PWs) bands (ev): -1.8914 -1.8914 0.1199 0.1199 5.5237 5.5237 5.9231 5.9231 5.9476 5.9476 5.9835 5.9835 6.8634 6.8634 7.3979 7.3979 7.5993 7.5993 7.6887 7.6887 8.6475 8.6475 8.9735 8.9735 10.5553 10.5553 10.5921 10.5921 11.9941 11.9941 13.1056 13.1056 13.8074 13.8074 14.7945 14.7945 14.8495 14.8495 k = 0.0000 0.0000 0.2168 ( 2631 PWs) bands (ev): -1.8478 -1.8478 0.0327 0.0327 5.5910 5.5910 5.9546 5.9546 6.0279 6.0279 6.0457 6.0457 6.8556 6.8556 7.4348 7.4348 7.5112 7.5112 7.6899 7.6899 8.6058 8.6058 8.9032 8.9032 10.4207 10.4207 10.5524 10.5524 11.9962 11.9962 13.1924 13.1924 13.7644 13.7644 14.7716 14.7716 14.9660 14.9660 k = 0.0000 0.0000 0.2304 ( 2631 PWs) bands (ev): -1.8016 -1.8016 -0.0551 -0.0551 5.6552 5.6552 5.9878 5.9878 6.1098 6.1098 6.1127 6.1127 6.8443 6.8443 7.4236 7.4236 7.4743 7.4743 7.6949 7.6949 8.5636 8.5636 8.8329 8.8329 10.2894 10.2894 10.4926 10.4926 12.0191 12.0191 13.2794 13.2794 13.7171 13.7171 14.7463 14.7463 15.0851 15.0851 k = 0.0000 0.0000 0.2439 ( 2643 PWs) bands (ev): -1.7529 -1.7529 -0.1431 -0.1431 5.7172 5.7172 6.0224 6.0224 6.1754 6.1754 6.1999 6.1999 6.8293 6.8293 7.3368 7.3368 7.5164 7.5164 7.7043 7.7043 8.5210 8.5210 8.7631 8.7631 10.1624 10.1624 10.4166 10.4166 12.0593 12.0593 13.3662 13.3662 13.6657 13.6657 14.7186 14.7186 15.2065 15.2065 k = 0.0000 0.0000 0.2575 ( 2637 PWs) bands (ev): -1.7016 -1.7016 -0.2310 -0.2310 5.7780 5.7780 6.0585 6.0585 6.2417 6.2417 6.2874 6.2874 6.8104 6.8104 7.2510 7.2510 7.5610 7.5610 7.7181 7.7181 8.4782 8.4782 8.6938 8.6938 10.0410 10.0410 10.3285 10.3285 12.1131 12.1131 13.4525 13.4525 13.6108 13.6108 14.6883 14.6883 15.3295 15.3295 k = 0.0000 0.0000 0.2710 ( 2637 PWs) bands (ev): -1.6478 -1.6478 -0.3186 -0.3186 5.8382 5.8382 6.0959 6.0959 6.3080 6.3080 6.3729 6.3729 6.7879 6.7879 7.1667 7.1667 7.6081 7.6081 7.7365 7.7365 8.4354 8.4354 8.6254 8.6254 9.9264 9.9264 10.2323 10.2323 12.1770 12.1770 13.5379 13.5379 13.5524 13.5524 14.6552 14.6552 15.4536 15.4536 k = 0.0000 0.0000 0.2846 ( 2637 PWs) bands (ev): -1.5914 -1.5914 -0.4055 -0.4055 5.8986 5.8986 6.1344 6.1344 6.3730 6.3730 6.4546 6.4546 6.7618 6.7618 7.0841 7.0841 7.6574 7.6574 7.7593 7.7593 8.3928 8.3928 8.5580 8.5580 9.8201 9.8201 10.1314 10.1314 12.2482 12.2482 13.4909 13.4909 13.6221 13.6221 14.6193 14.6193 15.5779 15.5779 k = 0.0000 0.0000 0.2981 ( 2637 PWs) bands (ev): -1.5327 -1.5327 -0.4917 -0.4917 5.9596 5.9596 6.1740 6.1740 6.4353 6.4353 6.5305 6.5305 6.7324 6.7324 7.0039 7.0039 7.7087 7.7087 7.7864 7.7864 8.3505 8.3505 8.4919 8.4919 9.7239 9.7239 10.0290 10.0290 12.3247 12.3247 13.4263 13.4263 13.7047 13.7047 14.5804 14.5804 15.7011 15.7011 k = 0.0000 0.0000 0.3117 ( 2649 PWs) bands (ev): -1.4716 -1.4716 -0.5768 -0.5768 6.0214 6.0214 6.2145 6.2145 6.4926 6.4926 6.5989 6.5989 6.7002 6.7002 6.9273 6.9273 7.7614 7.7614 7.8176 7.8176 8.3088 8.3088 8.4271 8.4271 9.6396 9.6396 9.9276 9.9276 12.4046 12.4046 13.3588 13.3588 13.7855 13.7855 14.5383 14.5383 15.8209 15.8209 k = 0.0000 0.0000 0.3252 ( 2637 PWs) bands (ev): -1.4081 -1.4081 -0.6608 -0.6608 6.0843 6.0843 6.2558 6.2558 6.5411 6.5411 6.6582 6.6582 6.6655 6.6655 6.8569 6.8569 7.8147 7.8147 7.8526 7.8526 8.2677 8.2677 8.3640 8.3640 9.5692 9.5692 9.8299 9.8299 12.4868 12.4868 13.2886 13.2886 13.8641 13.8641 14.4931 14.4931 15.9160 15.9160 k = 0.0000 0.0000 0.3388 ( 2638 PWs) bands (ev): -1.3423 -1.3423 -0.7434 -0.7434 6.1484 6.1484 6.2977 6.2977 6.5726 6.5726 6.6287 6.6287 6.7070 6.7070 6.7995 6.7995 7.8678 7.8678 7.8912 7.8912 8.2270 8.2270 8.3025 8.3025 9.5147 9.5147 9.7383 9.7383 12.5702 12.5702 13.2158 13.2158 13.9404 13.9404 14.4447 14.4447 15.9756 15.9756 k = 0.0000 0.0000 0.3523 ( 2638 PWs) bands (ev): -1.2744 -1.2744 -0.8246 -0.8246 6.2135 6.2135 6.3400 6.3400 6.5723 6.5723 6.5901 6.5901 6.7444 6.7444 6.7684 6.7684 7.9198 7.9198 7.9331 7.9331 8.1866 8.1866 8.2429 8.2429 9.4781 9.4781 9.6554 9.6554 12.6542 12.6542 13.1407 13.1407 14.0141 14.0141 14.3929 14.3929 16.0319 16.0319 k = 0.0000 0.0000 0.3659 ( 2620 PWs) bands (ev): -1.2043 -1.2043 -0.9040 -0.9040 6.2797 6.2797 6.3825 6.3825 6.5350 6.5350 6.5502 6.5502 6.7670 6.7670 6.7696 6.7696 7.9697 7.9697 7.9782 7.9782 8.1461 8.1461 8.1853 8.1853 9.4608 9.4608 9.5840 9.5840 12.7380 12.7380 13.0635 13.0635 14.0850 14.0850 14.3378 14.3378 16.0832 16.0832 k = 0.0000 0.0000 0.3794 ( 2614 PWs) bands (ev): -1.1321 -1.1321 -0.9819 -0.9819 6.3465 6.3465 6.4250 6.4250 6.4777 6.4777 6.5091 6.5091 6.7771 6.7771 6.7826 6.7826 8.0172 8.0172 8.0261 8.0261 8.1049 8.1049 8.1298 8.1298 9.4634 9.4634 9.5266 9.5266 12.8213 12.8213 12.9843 12.9843 14.1529 14.1529 14.2794 14.2794 16.1270 16.1270 k = 0.0000 0.0000 0.3930 ( 2614 PWs) bands (ev): -1.0579 -1.0579 -1.0579 -1.0579 6.4131 6.4131 6.4131 6.4131 6.4673 6.4673 6.4673 6.4673 6.7843 6.7843 6.7843 6.7843 8.0621 8.0621 8.0621 8.0621 8.0767 8.0767 8.0767 8.0767 9.4858 9.4858 9.4858 9.4858 12.9035 12.9035 12.9035 12.9035 14.2178 14.2178 14.2178 14.2178 16.1589 16.1589 k = 0.0000 0.0000 0.3930 ( 2614 PWs) bands (ev): -1.0579 -1.0579 -1.0579 -1.0579 6.4131 6.4131 6.4131 6.4131 6.4673 6.4673 6.4673 6.4673 6.7843 6.7843 6.7843 6.7843 8.0621 8.0621 8.0621 8.0621 8.0767 8.0767 8.0767 8.0767 9.4858 9.4858 9.4858 9.4858 12.9035 12.9035 12.9035 12.9035 14.2178 14.2178 14.2178 14.2178 16.1589 16.1589 k = 0.0116 0.0067 0.3930 ( 2624 PWs) bands (ev): -1.0570 -1.0570 -1.0570 -1.0570 6.4103 6.4103 6.4103 6.4103 6.4653 6.4653 6.4653 6.4653 6.7862 6.7862 6.7862 6.7862 8.0571 8.0571 8.0571 8.0571 8.0813 8.0813 8.0813 8.0813 9.4895 9.4895 9.4895 9.4895 12.8972 12.8972 12.8972 12.8972 14.2096 14.2096 14.2096 14.2096 16.1529 16.1529 k = 0.0233 0.0134 0.3930 ( 2628 PWs) bands (ev): -1.0540 -1.0540 -1.0540 -1.0540 6.4009 6.4009 6.4009 6.4009 6.4607 6.4607 6.4607 6.4607 6.7919 6.7919 6.7919 6.7919 8.0479 8.0479 8.0479 8.0479 8.0892 8.0892 8.0892 8.0892 9.5005 9.5005 9.5005 9.5005 12.8785 12.8785 12.8785 12.8785 14.1855 14.1855 14.1855 14.1855 16.1349 16.1349 k = 0.0349 0.0201 0.3930 ( 2636 PWs) bands (ev): -1.0491 -1.0491 -1.0491 -1.0491 6.3832 6.3832 6.3832 6.3832 6.4561 6.4561 6.4561 6.4561 6.8004 6.8004 6.8004 6.8004 8.0377 8.0377 8.0377 8.0377 8.0974 8.0974 8.0974 8.0974 9.5186 9.5186 9.5186 9.5186 12.8475 12.8475 12.8475 12.8475 14.1469 14.1469 14.1469 14.1469 16.1055 16.1055 k = 0.0465 0.0269 0.3930 ( 2640 PWs) bands (ev): -1.0422 -1.0422 -1.0422 -1.0422 6.3570 6.3570 6.3570 6.3570 6.4529 6.4529 6.4529 6.4529 6.8107 6.8107 6.8107 6.8107 8.0269 8.0269 8.0269 8.0269 8.1053 8.1053 8.1053 8.1053 9.5433 9.5433 9.5433 9.5433 12.8046 12.8046 12.8046 12.8046 14.0955 14.0955 14.0955 14.0955 16.0664 16.0664 k = 0.0581 0.0336 0.3930 ( 2644 PWs) bands (ev): -1.0334 -1.0334 -1.0334 -1.0334 6.3237 6.3237 6.3237 6.3237 6.4511 6.4511 6.4511 6.4511 6.8220 6.8220 6.8220 6.8220 8.0158 8.0158 8.0158 8.0158 8.1130 8.1130 8.1130 8.1130 9.5741 9.5741 9.5741 9.5741 12.7505 12.7505 12.7505 12.7505 14.0338 14.0338 14.0338 14.0338 16.0200 16.0200 k = 0.0698 0.0403 0.3930 ( 2644 PWs) bands (ev): -1.0226 -1.0226 -1.0226 -1.0226 6.2846 6.2846 6.2846 6.2846 6.4501 6.4501 6.4501 6.4501 6.8337 6.8337 6.8337 6.8337 8.0044 8.0044 8.0044 8.0044 8.1204 8.1204 8.1204 8.1204 9.6103 9.6103 9.6103 9.6103 12.6858 12.6858 12.6858 12.6858 13.9641 13.9641 13.9641 13.9641 15.9689 15.9689 k = 0.0814 0.0470 0.3930 ( 2634 PWs) bands (ev): -1.0100 -1.0100 -1.0100 -1.0100 6.2409 6.2409 6.2409 6.2409 6.4498 6.4498 6.4498 6.4498 6.8453 6.8453 6.8453 6.8453 7.9928 7.9928 7.9928 7.9928 8.1276 8.1276 8.1276 8.1276 9.6509 9.6509 9.6509 9.6509 12.6114 12.6114 12.6114 12.6114 13.8885 13.8885 13.8885 13.8885 15.9157 15.9157 k = 0.0930 0.0537 0.3930 ( 2646 PWs) bands (ev): -0.9956 -0.9956 -0.9956 -0.9956 6.1936 6.1936 6.1936 6.1936 6.4498 6.4498 6.4498 6.4498 6.8567 6.8567 6.8567 6.8567 7.9811 7.9811 7.9811 7.9811 8.1346 8.1346 8.1346 8.1346 9.6952 9.6952 9.6952 9.6952 12.5287 12.5287 12.5287 12.5287 13.8090 13.8090 13.8090 13.8090 15.8622 15.8622 k = 0.1047 0.0604 0.3930 ( 2654 PWs) bands (ev): -0.9794 -0.9794 -0.9794 -0.9794 6.1435 6.1435 6.1435 6.1435 6.4500 6.4500 6.4500 6.4500 6.8676 6.8676 6.8676 6.8676 7.9693 7.9693 7.9693 7.9693 8.1414 8.1414 8.1414 8.1414 9.7420 9.7420 9.7420 9.7420 12.4390 12.4390 12.4390 12.4390 13.7272 13.7272 13.7272 13.7272 15.8097 15.8097 k = 0.1163 0.0671 0.3930 ( 2650 PWs) bands (ev): -0.9614 -0.9614 -0.9614 -0.9614 6.0910 6.0910 6.0910 6.0910 6.4503 6.4503 6.4503 6.4503 6.8779 6.8779 6.8779 6.8779 7.9574 7.9574 7.9574 7.9574 8.1482 8.1482 8.1482 8.1482 9.7902 9.7902 9.7902 9.7902 12.3440 12.3440 12.3440 12.3440 13.6443 13.6443 13.6443 13.6443 15.7593 15.7593 k = 0.1279 0.0738 0.3930 ( 2656 PWs) bands (ev): -0.9417 -0.9417 -0.9417 -0.9417 6.0367 6.0367 6.0367 6.0367 6.4507 6.4507 6.4507 6.4507 6.8878 6.8878 6.8878 6.8878 7.9455 7.9455 7.9455 7.9455 8.1549 8.1549 8.1549 8.1549 9.8385 9.8385 9.8385 9.8385 12.2455 12.2455 12.2455 12.2455 13.5612 13.5612 13.5612 13.5612 15.7114 15.7114 k = 0.1395 0.0806 0.3930 ( 2656 PWs) bands (ev): -0.9205 -0.9205 -0.9205 -0.9205 5.9810 5.9810 5.9810 5.9810 6.4513 6.4513 6.4513 6.4513 6.8971 6.8971 6.8971 6.8971 7.9335 7.9335 7.9335 7.9335 8.1616 8.1616 8.1616 8.1616 9.8856 9.8856 9.8856 9.8856 12.1455 12.1455 12.1455 12.1455 13.4786 13.4786 13.4786 13.4786 15.6665 15.6665 k = 0.1512 0.0873 0.3930 ( 2654 PWs) bands (ev): -0.8977 -0.8977 -0.8977 -0.8977 5.9244 5.9244 5.9244 5.9244 6.4518 6.4518 6.4518 6.4518 6.9059 6.9059 6.9059 6.9059 7.9215 7.9215 7.9215 7.9215 8.1683 8.1683 8.1683 8.1683 9.9298 9.9298 9.9298 9.9298 12.0463 12.0463 12.0463 12.0463 13.3970 13.3970 13.3970 13.3970 15.6248 15.6248 k = 0.1628 0.0940 0.3930 ( 2654 PWs) bands (ev): -0.8734 -0.8734 -0.8734 -0.8734 5.8672 5.8672 5.8672 5.8672 6.4524 6.4524 6.4524 6.4524 6.9143 6.9143 6.9143 6.9143 7.9095 7.9095 7.9095 7.9095 8.1752 8.1752 8.1752 8.1752 9.9692 9.9692 9.9692 9.9692 11.9502 11.9502 11.9502 11.9502 13.3167 13.3167 13.3167 13.3167 15.5864 15.5864 k = 0.1744 0.1007 0.3930 ( 2650 PWs) bands (ev): -0.8478 -0.8478 -0.8478 -0.8478 5.8097 5.8097 5.8097 5.8097 6.4529 6.4529 6.4529 6.4529 6.9221 6.9221 6.9221 6.9221 7.8975 7.8975 7.8975 7.8975 8.1822 8.1822 8.1822 8.1822 10.0018 10.0018 10.0018 10.0018 11.8599 11.8599 11.8599 11.8599 13.2380 13.2380 13.2380 13.2380 15.5515 15.5515 k = 0.1860 0.1074 0.3930 ( 2650 PWs) bands (ev): -0.8209 -0.8209 -0.8209 -0.8209 5.7523 5.7523 5.7523 5.7523 6.4534 6.4534 6.4534 6.4534 6.9296 6.9296 6.9296 6.9296 7.8855 7.8855 7.8855 7.8855 8.1894 8.1894 8.1894 8.1894 10.0255 10.0255 10.0255 10.0255 11.7779 11.7779 11.7779 11.7779 13.1611 13.1611 13.1611 13.1611 15.5201 15.5201 k = 0.1977 0.1141 0.3930 ( 2648 PWs) bands (ev): -0.7929 -0.7929 -0.7929 -0.7929 5.6951 5.6951 5.6951 5.6951 6.4539 6.4539 6.4539 6.4539 6.9366 6.9366 6.9366 6.9366 7.8734 7.8734 7.8734 7.8734 8.1968 8.1968 8.1968 8.1968 10.0380 10.0380 10.0380 10.0380 11.7069 11.7069 11.7069 11.7069 13.0862 13.0862 13.0862 13.0862 15.4921 15.4921 k = 0.2093 0.1208 0.3930 ( 2646 PWs) bands (ev): -0.7638 -0.7638 -0.7638 -0.7638 5.6385 5.6385 5.6385 5.6385 6.4543 6.4543 6.4543 6.4543 6.9432 6.9432 6.9432 6.9432 7.8614 7.8614 7.8614 7.8614 8.2045 8.2045 8.2045 8.2045 10.0374 10.0374 10.0374 10.0374 11.6489 11.6489 11.6489 11.6489 13.0134 13.0134 13.0134 13.0134 15.4677 15.4677 k = 0.2209 0.1276 0.3930 ( 2646 PWs) bands (ev): -0.7338 -0.7338 -0.7338 -0.7338 5.5826 5.5826 5.5826 5.5826 6.4547 6.4547 6.4547 6.4547 6.9494 6.9494 6.9494 6.9494 7.8493 7.8493 7.8493 7.8493 8.2124 8.2124 8.2124 8.2124 10.0226 10.0226 10.0226 10.0226 11.6054 11.6054 11.6054 11.6054 12.9431 12.9431 12.9431 12.9431 15.4469 15.4469 k = 0.2326 0.1343 0.3930 ( 2650 PWs) bands (ev): -0.7030 -0.7030 -0.7030 -0.7030 5.5277 5.5277 5.5277 5.5277 6.4551 6.4551 6.4551 6.4551 6.9552 6.9552 6.9552 6.9552 7.8371 7.8371 7.8371 7.8371 8.2208 8.2208 8.2208 8.2208 9.9931 9.9931 9.9931 9.9931 11.5769 11.5769 11.5769 11.5769 12.8755 12.8755 12.8755 12.8755 15.4295 15.4295 k = 0.2442 0.1410 0.3930 ( 2642 PWs) bands (ev): -0.6716 -0.6716 -0.6716 -0.6716 5.4739 5.4739 5.4739 5.4739 6.4553 6.4553 6.4553 6.4553 6.9606 6.9606 6.9606 6.9606 7.8248 7.8248 7.8248 7.8248 8.2294 8.2294 8.2294 8.2294 9.9499 9.9499 9.9499 9.9499 11.5626 11.5626 11.5626 11.5626 12.8107 12.8107 12.8107 12.8107 15.4156 15.4156 k = 0.2558 0.1477 0.3930 ( 2642 PWs) bands (ev): -0.6396 -0.6396 -0.6396 -0.6396 5.4214 5.4214 5.4214 5.4214 6.4555 6.4555 6.4555 6.4555 6.9655 6.9655 6.9655 6.9655 7.8125 7.8125 7.8125 7.8125 8.2385 8.2385 8.2385 8.2385 9.8946 9.8946 9.8946 9.8946 11.5606 11.5606 11.5606 11.5606 12.7492 12.7492 12.7492 12.7492 15.4052 15.4052 k = 0.2674 0.1544 0.3930 ( 2642 PWs) bands (ev): -0.6073 -0.6073 -0.6073 -0.6073 5.3704 5.3704 5.3704 5.3704 6.4557 6.4557 6.4557 6.4557 6.9700 6.9700 6.9700 6.9700 7.8001 7.8001 7.8001 7.8001 8.2479 8.2479 8.2479 8.2479 9.8296 9.8296 9.8296 9.8296 11.5685 11.5685 11.5685 11.5685 12.6913 12.6913 12.6913 12.6913 15.3981 15.3981 k = 0.2791 0.1611 0.3930 ( 2642 PWs) bands (ev): -0.5749 -0.5749 -0.5749 -0.5749 5.3210 5.3210 5.3210 5.3210 6.4557 6.4557 6.4557 6.4557 6.9741 6.9741 6.9741 6.9741 7.7877 7.7877 7.7877 7.7877 8.2578 8.2578 8.2578 8.2578 9.7573 9.7573 9.7573 9.7573 11.5836 11.5836 11.5836 11.5836 12.6375 12.6375 12.6375 12.6375 15.3944 15.3944 k = 0.2907 0.1678 0.3930 ( 2632 PWs) bands (ev): -0.5423 -0.5423 -0.5423 -0.5423 5.2734 5.2734 5.2734 5.2734 6.4557 6.4557 6.4557 6.4557 6.9777 6.9777 6.9777 6.9777 7.7751 7.7751 7.7751 7.7751 8.2681 8.2681 8.2681 8.2681 9.6802 9.6802 9.6802 9.6802 11.6033 11.6033 11.6033 11.6033 12.5883 12.5883 12.5883 12.5883 15.3940 15.3940 k = 0.3023 0.1745 0.3930 ( 2628 PWs) bands (ev): -0.5100 -0.5100 -0.5100 -0.5100 5.2276 5.2276 5.2276 5.2276 6.4556 6.4556 6.4556 6.4556 6.9809 6.9809 6.9809 6.9809 7.7624 7.7624 7.7624 7.7624 8.2788 8.2788 8.2788 8.2788 9.6001 9.6001 9.6001 9.6001 11.6250 11.6250 11.6250 11.6250 12.5442 12.5442 12.5442 12.5442 15.3967 15.3967 k = 0.3140 0.1813 0.3930 ( 2632 PWs) bands (ev): -0.4781 -0.4781 -0.4781 -0.4781 5.1838 5.1838 5.1838 5.1838 6.4555 6.4555 6.4555 6.4555 6.9835 6.9835 6.9835 6.9835 7.7497 7.7497 7.7497 7.7497 8.2900 8.2900 8.2900 8.2900 9.5191 9.5191 9.5191 9.5191 11.6465 11.6465 11.6465 11.6465 12.5058 12.5058 12.5058 12.5058 15.4023 15.4023 k = 0.3256 0.1880 0.3930 ( 2638 PWs) bands (ev): -0.4467 -0.4467 -0.4467 -0.4467 5.1421 5.1421 5.1421 5.1421 6.4554 6.4554 6.4554 6.4554 6.9857 6.9857 6.9857 6.9857 7.7370 7.7370 7.7370 7.7370 8.3016 8.3016 8.3016 8.3016 9.4384 9.4384 9.4384 9.4384 11.6661 11.6661 11.6661 11.6661 12.4737 12.4737 12.4737 12.4737 15.4108 15.4108 k = 0.3372 0.1947 0.3930 ( 2638 PWs) bands (ev): -0.4160 -0.4160 -0.4160 -0.4160 5.1026 5.1026 5.1026 5.1026 6.4551 6.4551 6.4551 6.4551 6.9874 6.9874 6.9874 6.9874 7.7243 7.7243 7.7243 7.7243 8.3136 8.3136 8.3136 8.3136 9.3592 9.3592 9.3592 9.3592 11.6822 11.6822 11.6822 11.6822 12.4482 12.4482 12.4482 12.4482 15.4218 15.4218 k = 0.3488 0.2014 0.3930 ( 2642 PWs) bands (ev): -0.3863 -0.3863 -0.3863 -0.3863 5.0653 5.0653 5.0653 5.0653 6.4549 6.4549 6.4549 6.4549 6.9887 6.9887 6.9887 6.9887 7.7117 7.7117 7.7117 7.7117 8.3260 8.3260 8.3260 8.3260 9.2826 9.2826 9.2826 9.2826 11.6939 11.6939 11.6939 11.6939 12.4295 12.4295 12.4295 12.4295 15.4351 15.4351 k = 0.3605 0.2081 0.3930 ( 2646 PWs) bands (ev): -0.3577 -0.3577 -0.3577 -0.3577 5.0304 5.0304 5.0304 5.0304 6.4546 6.4546 6.4546 6.4546 6.9895 6.9895 6.9895 6.9895 7.6992 7.6992 7.6992 7.6992 8.3388 8.3388 8.3388 8.3388 9.2091 9.2091 9.2091 9.2091 11.7007 11.7007 11.7007 11.7007 12.4175 12.4175 12.4175 12.4175 15.4503 15.4503 k = 0.3721 0.2148 0.3930 ( 2638 PWs) bands (ev): -0.3304 -0.3304 -0.3304 -0.3304 4.9980 4.9980 4.9980 4.9980 6.4543 6.4543 6.4543 6.4543 6.9899 6.9899 6.9899 6.9899 7.6870 7.6870 7.6870 7.6870 8.3520 8.3520 8.3520 8.3520 9.1394 9.1394 9.1394 9.1394 11.7026 11.7026 11.7026 11.7026 12.4116 12.4116 12.4116 12.4116 15.4671 15.4671 k = 0.3837 0.2215 0.3930 ( 2638 PWs) bands (ev): -0.3048 -0.3048 -0.3048 -0.3048 4.9681 4.9681 4.9681 4.9681 6.4540 6.4540 6.4540 6.4540 6.9899 6.9899 6.9899 6.9899 7.6752 7.6752 7.6752 7.6752 8.3655 8.3655 8.3655 8.3655 9.0738 9.0738 9.0738 9.0738 11.7003 11.7003 11.7003 11.7003 12.4109 12.4109 12.4109 12.4109 15.4850 15.4850 k = 0.3953 0.2283 0.3930 ( 2638 PWs) bands (ev): -0.2808 -0.2808 -0.2808 -0.2808 4.9408 4.9408 4.9408 4.9408 6.4537 6.4537 6.4537 6.4537 6.9896 6.9896 6.9896 6.9896 7.6639 7.6639 7.6639 7.6639 8.3793 8.3793 8.3793 8.3793 9.0128 9.0128 9.0128 9.0128 11.6945 11.6945 11.6945 11.6945 12.4143 12.4143 12.4143 12.4143 15.5036 15.5036 k = 0.4070 0.2350 0.3930 ( 2634 PWs) bands (ev): -0.2588 -0.2588 -0.2588 -0.2588 4.9162 4.9162 4.9162 4.9162 6.4535 6.4535 6.4535 6.4535 6.9890 6.9890 6.9890 6.9890 7.6533 7.6533 7.6533 7.6533 8.3934 8.3934 8.3934 8.3934 8.9564 8.9564 8.9564 8.9564 11.6863 11.6863 11.6863 11.6863 12.4205 12.4205 12.4205 12.4205 15.5223 15.5223 k = 0.4186 0.2417 0.3930 ( 2638 PWs) bands (ev): -0.2389 -0.2389 -0.2389 -0.2389 4.8943 4.8943 4.8943 4.8943 6.4532 6.4532 6.4532 6.4532 6.9882 6.9882 6.9882 6.9882 7.6434 7.6434 7.6434 7.6434 8.4076 8.4076 8.4076 8.4076 8.9049 8.9049 8.9049 8.9049 11.6767 11.6767 11.6767 11.6767 12.4284 12.4284 12.4284 12.4284 15.5406 15.5406 k = 0.4302 0.2484 0.3930 ( 2642 PWs) bands (ev): -0.2214 -0.2214 -0.2214 -0.2214 4.8752 4.8752 4.8752 4.8752 6.4529 6.4529 6.4529 6.4529 6.9872 6.9872 6.9872 6.9872 7.6345 7.6345 7.6345 7.6345 8.4219 8.4219 8.4219 8.4219 8.8585 8.8585 8.8585 8.8585 11.6667 11.6667 11.6667 11.6667 12.4370 12.4370 12.4370 12.4370 15.5579 15.5579 k = 0.4419 0.2551 0.3930 ( 2646 PWs) bands (ev): -0.2062 -0.2062 -0.2062 -0.2062 4.8589 4.8589 4.8589 4.8589 6.4527 6.4527 6.4527 6.4527 6.9862 6.9862 6.9862 6.9862 7.6267 7.6267 7.6267 7.6267 8.4360 8.4360 8.4360 8.4360 8.8173 8.8173 8.8173 8.8173 11.6570 11.6570 11.6570 11.6570 12.4455 12.4455 12.4455 12.4455 15.5737 15.5737 k = 0.4535 0.2618 0.3930 ( 2646 PWs) bands (ev): -0.1936 -0.1936 -0.1936 -0.1936 4.8455 4.8455 4.8455 4.8455 6.4525 6.4525 6.4525 6.4525 6.9853 6.9853 6.9853 6.9853 7.6201 7.6201 7.6201 7.6201 8.4496 8.4496 8.4496 8.4496 8.7817 8.7817 8.7817 8.7817 11.6483 11.6483 11.6483 11.6483 12.4533 12.4533 12.4533 12.4533 15.5875 15.5875 k = 0.4651 0.2685 0.3930 ( 2654 PWs) bands (ev): -0.1837 -0.1837 -0.1837 -0.1837 4.8351 4.8351 4.8351 4.8351 6.4524 6.4524 6.4524 6.4524 6.9845 6.9845 6.9845 6.9845 7.6148 7.6148 7.6148 7.6148 8.4620 8.4620 8.4620 8.4620 8.7522 8.7522 8.7522 8.7522 11.6410 11.6410 11.6410 11.6410 12.4597 12.4597 12.4597 12.4597 15.5987 15.5987 k = 0.4767 0.2752 0.3930 ( 2650 PWs) bands (ev): -0.1765 -0.1765 -0.1765 -0.1765 4.8276 4.8276 4.8276 4.8276 6.4523 6.4523 6.4523 6.4523 6.9838 6.9838 6.9838 6.9838 7.6110 7.6110 7.6110 7.6110 8.4724 8.4724 8.4724 8.4724 8.7298 8.7298 8.7298 8.7298 11.6356 11.6356 11.6356 11.6356 12.4646 12.4646 12.4646 12.4646 15.6071 15.6071 k = 0.4884 0.2820 0.3930 ( 2664 PWs) bands (ev): -0.1723 -0.1723 -0.1723 -0.1723 4.8231 4.8231 4.8231 4.8231 6.4522 6.4522 6.4522 6.4522 6.9834 6.9834 6.9834 6.9834 7.6087 7.6087 7.6087 7.6087 8.4794 8.4794 8.4794 8.4794 8.7155 8.7155 8.7155 8.7155 11.6322 11.6322 11.6322 11.6322 12.4676 12.4676 12.4676 12.4676 15.6122 15.6122 k = 0.5000 0.2887 0.3930 ( 2656 PWs) bands (ev): -0.1708 -0.1708 -0.1708 -0.1708 4.8216 4.8216 4.8216 4.8216 6.4522 6.4522 6.4522 6.4522 6.9833 6.9833 6.9833 6.9833 7.6079 7.6079 7.6079 7.6079 8.4819 8.4819 8.4819 8.4819 8.7106 8.7106 8.7106 8.7106 11.6311 11.6311 11.6311 11.6311 12.4687 12.4687 12.4687 12.4687 15.6139 15.6139 k = 0.5000 0.2887 0.3930 ( 2656 PWs) bands (ev): -0.1708 -0.1708 -0.1708 -0.1708 4.8216 4.8216 4.8216 4.8216 6.4522 6.4522 6.4522 6.4522 6.9833 6.9833 6.9833 6.9833 7.6079 7.6079 7.6079 7.6079 8.4819 8.4819 8.4819 8.4819 8.7106 8.7106 8.7106 8.7106 11.6311 11.6311 11.6311 11.6311 12.4687 12.4687 12.4687 12.4687 15.6139 15.6139 k = 0.4933 0.3002 0.3930 ( 2652 PWs) bands (ev): -0.1723 -0.1723 -0.1686 -0.1686 4.8205 4.8205 4.8255 4.8255 6.4414 6.4414 6.4607 6.4607 6.9746 6.9746 6.9909 6.9909 7.5989 7.5989 7.6159 7.6159 8.4611 8.4611 8.5000 8.5000 8.7015 8.7015 8.7230 8.7230 11.5708 11.5708 11.6362 11.6362 12.4614 12.4614 12.5383 12.5383 15.6127 15.6127 k = 0.4867 0.3118 0.3930 ( 2652 PWs) bands (ev): -0.1731 -0.1731 -0.1657 -0.1657 4.8222 4.8222 4.8323 4.8323 6.4284 6.4284 6.4669 6.4669 6.9649 6.9649 6.9975 6.9975 7.5889 7.5889 7.6229 7.6229 8.4383 8.4383 8.5143 8.5143 8.6969 8.6969 8.7380 8.7380 11.4752 11.4752 11.5836 11.5836 12.5189 12.5189 12.6507 12.6507 15.6154 15.6154 k = 0.4800 0.3233 0.3930 ( 2650 PWs) bands (ev): -0.1732 -0.1732 -0.1622 -0.1622 4.8267 4.8267 4.8418 4.8418 6.4131 6.4131 6.4708 6.4708 6.9540 6.9540 7.0031 7.0031 7.5779 7.5779 7.6289 7.6289 8.4140 8.4140 8.5237 8.5237 8.6981 8.6981 8.7549 8.7549 11.3619 11.3619 11.4913 11.4913 12.6232 12.6232 12.7879 12.7879 15.6222 15.6222 k = 0.4733 0.3349 0.3930 ( 2646 PWs) bands (ev): -0.1726 -0.1726 -0.1580 -0.1580 4.8340 4.8340 4.8541 4.8541 6.3957 6.3957 6.4723 6.4723 6.9419 6.9419 7.0078 7.0078 7.5661 7.5661 7.6338 7.6338 8.3885 8.3885 8.5277 8.5277 8.7057 8.7057 8.7734 8.7734 11.2413 11.2413 11.3781 11.3781 12.7551 12.7551 12.9395 12.9395 15.6332 15.6332 k = 0.4667 0.3464 0.3930 ( 2644 PWs) bands (ev): -0.1714 -0.1714 -0.1532 -0.1532 4.8440 4.8440 4.8692 4.8692 6.3761 6.3761 6.4713 6.4713 6.9287 6.9287 7.0117 7.0117 7.5534 7.5534 7.6377 7.6377 8.3619 8.3619 8.5267 8.5267 8.7195 8.7195 8.7932 8.7932 11.1190 11.1190 11.2557 11.2557 12.9029 12.9029 13.0996 13.0996 15.6483 15.6483 k = 0.4600 0.3580 0.3930 ( 2648 PWs) bands (ev): -0.1696 -0.1696 -0.1478 -0.1478 4.8566 4.8566 4.8870 4.8870 6.3544 6.3544 6.4678 6.4678 6.9145 6.9145 7.0148 7.0148 7.5400 7.5400 7.6404 7.6404 8.3344 8.3344 8.5219 8.5219 8.7382 8.7382 8.8142 8.8142 10.9980 10.9980 11.1303 11.1303 13.0598 13.0598 13.2649 13.2649 15.6679 15.6679 k = 0.4533 0.3695 0.3930 ( 2648 PWs) bands (ev): -0.1671 -0.1671 -0.1420 -0.1420 4.8720 4.8720 4.9075 4.9075 6.3306 6.3306 6.4615 6.4615 6.8993 6.8993 7.0171 7.0171 7.5259 7.5259 7.6421 7.6421 8.3062 8.3062 8.5144 8.5144 8.7609 8.7609 8.8361 8.8361 10.8804 10.8804 11.0051 11.0051 13.2222 13.2222 13.4330 13.4330 15.6920 15.6920 k = 0.4467 0.3811 0.3930 ( 2646 PWs) bands (ev): -0.1641 -0.1641 -0.1356 -0.1356 4.8899 4.8899 4.9306 4.9306 6.3046 6.3046 6.4524 6.4524 6.8831 6.8831 7.0188 7.0188 7.5113 7.5113 7.6428 7.6428 8.2773 8.2773 8.5054 8.5054 8.7865 8.7865 8.8588 8.8588 10.7671 10.7671 10.8822 10.8822 13.3875 13.3875 13.6021 13.6021 15.7210 15.7210 k = 0.4400 0.3926 0.3930 ( 2650 PWs) bands (ev): -0.1606 -0.1606 -0.1288 -0.1288 4.9103 4.9103 4.9563 4.9563 6.2766 6.2766 6.4403 6.4403 6.8663 6.8663 7.0198 7.0198 7.4963 7.4963 7.6423 7.6423 8.2480 8.2480 8.4956 8.4956 8.8144 8.8144 8.8823 8.8823 10.6591 10.6591 10.7627 10.7627 13.5538 13.5538 13.7707 13.7707 15.7551 15.7551 k = 0.4333 0.4041 0.3930 ( 2654 PWs) bands (ev): -0.1566 -0.1566 -0.1217 -0.1217 4.9331 4.9331 4.9844 4.9844 6.2466 6.2466 6.4251 6.4251 6.8490 6.8490 7.0201 7.0201 7.4811 7.4811 7.6408 7.6408 8.2185 8.2185 8.4853 8.4853 8.8442 8.8442 8.9064 8.9064 10.5568 10.5568 10.6474 10.6474 13.7195 13.7195 13.9374 13.9374 15.7948 15.7948 k = 0.4267 0.4157 0.3930 ( 2650 PWs) bands (ev): -0.1522 -0.1522 -0.1142 -0.1142 4.9583 4.9583 5.0150 5.0150 6.2146 6.2146 6.4064 6.4064 6.8314 6.8314 7.0199 7.0199 7.4659 7.4659 7.6383 7.6383 8.1891 8.1891 8.4750 8.4750 8.8756 8.8756 8.9309 8.9309 10.4606 10.4606 10.5367 10.5367 13.8831 13.8831 14.1005 14.1005 15.8407 15.8407 k = 0.4200 0.4272 0.3930 ( 2646 PWs) bands (ev): -0.1475 -0.1475 -0.1066 -0.1066 4.9857 4.9857 5.0478 5.0478 6.1807 6.1807 6.3843 6.3843 6.8139 6.8139 7.0191 7.0191 7.4508 7.4508 7.6348 7.6348 8.1602 8.1602 8.4648 8.4648 8.9085 8.9085 8.9558 8.9558 10.3707 10.3707 10.4310 10.4310 14.0432 14.0432 14.2585 14.2585 15.8933 15.8933 k = 0.4133 0.4388 0.3930 ( 2654 PWs) bands (ev): -0.1426 -0.1426 -0.0989 -0.0989 5.0152 5.0152 5.0827 5.0827 6.1451 6.1451 6.3586 6.3586 6.7968 6.7968 7.0179 7.0179 7.4360 7.4360 7.6304 7.6304 8.1319 8.1319 8.4550 8.4550 8.9427 8.9427 8.9807 8.9807 10.2873 10.2873 10.3305 10.3305 14.1982 14.1982 14.4096 14.4096 15.9534 15.9534 k = 0.4067 0.4503 0.3930 ( 2662 PWs) bands (ev): -0.1374 -0.1374 -0.0911 -0.0911 5.0465 5.0465 5.1195 5.1195 6.1078 6.1078 6.3294 6.3294 6.7802 6.7802 7.0161 7.0161 7.4217 7.4217 7.6252 7.6252 8.1048 8.1048 8.4456 8.4456 8.9780 8.9780 9.0055 9.0055 10.2103 10.2103 10.2351 10.2351 14.3466 14.3466 14.5521 14.5521 16.0217 16.0217 k = 0.4000 0.4619 0.3930 ( 2670 PWs) bands (ev): -0.1322 -0.1322 -0.0835 -0.0835 5.0795 5.0795 5.1580 5.1580 6.0690 6.0690 6.2968 6.2968 6.7646 6.7646 7.0139 7.0139 7.4081 7.4081 7.6193 7.6193 8.0791 8.0791 8.4368 8.4368 9.0143 9.0143 9.0300 9.0300 10.1400 10.1400 10.1450 10.1450 14.4868 14.4868 14.6843 14.6843 16.0986 16.0986 k = 0.3933 0.4734 0.3930 ( 2666 PWs) bands (ev): -0.1269 -0.1269 -0.0759 -0.0759 5.1139 5.1139 5.1978 5.1978 6.0291 6.0291 6.2612 6.2612 6.7500 6.7500 7.0113 7.0113 7.3953 7.3953 7.6129 7.6129 8.0553 8.0553 8.4286 8.4286 9.0516 9.0516 9.0539 9.0539 10.0602 10.0602 10.0761 10.0761 14.6174 14.6174 14.8046 14.8046 16.1844 16.1844 k = 0.3867 0.4850 0.3930 ( 2670 PWs) bands (ev): -0.1217 -0.1217 -0.0687 -0.0687 5.1494 5.1494 5.2387 5.2387 5.9883 5.9883 6.2230 6.2230 6.7367 6.7367 7.0085 7.0085 7.3836 7.3836 7.6063 7.6063 8.0334 8.0334 8.4211 8.4211 9.0768 9.0768 9.0896 9.0896 9.9805 9.9805 10.0188 10.0188 14.7368 14.7368 14.9120 14.9120 16.2787 16.2787 k = 0.3800 0.4965 0.3930 ( 2662 PWs) bands (ev): -0.1167 -0.1167 -0.0618 -0.0618 5.1855 5.1855 5.2800 5.2800 5.9472 5.9472 6.1830 6.1830 6.7248 6.7248 7.0055 7.0055 7.3729 7.3729 7.5996 7.5996 8.0139 8.0139 8.4144 8.4144 9.0985 9.0985 9.1281 9.1281 9.9060 9.9060 9.9680 9.9680 14.8440 14.8440 15.0058 15.0058 16.3805 16.3805 k = 0.3733 0.5081 0.3930 ( 2662 PWs) bands (ev): -0.1120 -0.1120 -0.0555 -0.0555 5.2217 5.2217 5.3210 5.3210 5.9064 5.9064 6.1421 6.1421 6.7143 6.7143 7.0025 7.0025 7.3634 7.3634 7.5931 7.5931 7.9967 7.9967 8.4085 8.4085 9.1184 9.1184 9.1669 9.1669 9.8367 9.8367 9.9239 9.9239 14.9381 14.9381 15.0860 15.0860 16.4879 16.4879 k = 0.3667 0.5196 0.3930 ( 2662 PWs) bands (ev): -0.1077 -0.1077 -0.0498 -0.0498 5.2571 5.2571 5.3609 5.3609 5.8667 5.8667 6.1016 6.1016 6.7053 6.7053 6.9995 6.9995 7.3552 7.3552 7.5871 7.5871 7.9821 7.9821 8.4034 8.4034 9.1361 9.1361 9.2056 9.2056 9.7729 9.7729 9.8865 9.8865 15.0184 15.0184 15.1528 15.1528 16.5906 16.5906 k = 0.3600 0.5312 0.3930 ( 2662 PWs) bands (ev): -0.1039 -0.1039 -0.0448 -0.0448 5.2907 5.2907 5.3983 5.3983 5.8295 5.8295 6.0632 6.0632 6.6978 6.6978 6.9968 6.9968 7.3483 7.3483 7.5818 7.5818 7.9701 7.9701 8.3992 8.3992 9.1512 9.1512 9.2434 9.2434 9.7149 9.7149 9.8559 9.8559 15.0845 15.0845 15.2067 15.2067 16.6834 16.6834 k = 0.3533 0.5427 0.3930 ( 2658 PWs) bands (ev): -0.1007 -0.1007 -0.0408 -0.0408 5.3207 5.3207 5.4314 5.4314 5.7963 5.7963 6.0288 6.0288 6.6919 6.6919 6.9944 6.9944 7.3428 7.3428 7.5774 7.5774 7.9606 7.9606 8.3960 8.3960 9.1632 9.1632 9.2791 9.2791 9.6637 9.6637 9.8322 9.8322 15.1363 15.1363 15.2482 15.2482 16.7694 16.7694 k = 0.3467 0.5543 0.3930 ( 2658 PWs) bands (ev): -0.0983 -0.0983 -0.0377 -0.0377 5.3452 5.3452 5.4580 5.4580 5.7695 5.7695 6.0012 6.0012 6.6876 6.6876 6.9925 6.9925 7.3388 7.3388 7.5742 7.5742 7.9538 7.9538 8.3936 8.3936 9.1719 9.1719 9.3103 9.3103 9.6217 9.6217 9.8155 9.8155 15.1735 15.1735 15.2777 15.2777 16.8415 16.8415 k = 0.3400 0.5658 0.3930 ( 2658 PWs) bands (ev): -0.0968 -0.0968 -0.0358 -0.0358 5.3613 5.3613 5.4753 5.4753 5.7519 5.7519 5.9831 5.9831 6.6849 6.6849 6.9914 6.9914 7.3364 7.3364 7.5721 7.5721 7.9497 7.9497 8.3922 8.3922 9.1770 9.1770 9.3329 9.3329 9.5927 9.5927 9.8057 9.8057 15.1959 15.1959 15.2953 15.2953 16.8901 16.8901 k = 0.3333 0.5774 0.3930 ( 2658 PWs) bands (ev): -0.0963 -0.0963 -0.0351 -0.0351 5.3670 5.3670 5.4813 5.4813 5.7457 5.7457 5.9768 5.9768 6.6840 6.6840 6.9909 6.9909 7.3355 7.3355 7.5715 7.5715 7.9483 7.9483 8.3918 8.3918 9.1787 9.1787 9.3413 9.3413 9.5822 9.5822 9.8025 9.8025 15.2034 15.2034 15.3012 15.3012 16.9069 16.9069 k = 0.3333 0.5774 0.3930 ( 2658 PWs) bands (ev): -0.0963 -0.0963 -0.0351 -0.0351 5.3670 5.3670 5.4813 5.4813 5.7457 5.7457 5.9768 5.9768 6.6840 6.6840 6.9909 6.9909 7.3355 7.3355 7.5715 7.5715 7.9483 7.9483 8.3918 8.3918 9.1787 9.1787 9.3413 9.3413 9.5822 9.5822 9.8025 9.8025 15.2034 15.2034 15.3012 15.3012 16.9069 16.9069 k = 0.3265 0.5656 0.3930 ( 2654 PWs) bands (ev): -0.0968 -0.0968 -0.0358 -0.0358 5.3613 5.3613 5.4752 5.4752 5.7520 5.7520 5.9832 5.9832 6.6850 6.6850 6.9914 6.9914 7.3364 7.3364 7.5722 7.5722 7.9498 7.9498 8.3922 8.3922 9.1771 9.1771 9.3330 9.3330 9.5926 9.5926 9.8057 9.8057 15.1956 15.1956 15.2950 15.2950 16.8918 16.8918 k = 0.3197 0.5538 0.3930 ( 2662 PWs) bands (ev): -0.0987 -0.0987 -0.0381 -0.0381 5.3458 5.3458 5.4583 5.4583 5.7692 5.7692 6.0011 6.0011 6.6879 6.6879 6.9928 6.9928 7.3392 7.3392 7.5743 7.5743 7.9543 7.9543 8.3936 8.3936 9.1728 9.1728 9.3125 9.3125 9.6198 9.6198 9.8146 9.8146 15.1722 15.1722 15.2767 15.2767 16.8549 16.8549 k = 0.3129 0.5420 0.3930 ( 2662 PWs) bands (ev): -0.1020 -0.1020 -0.0421 -0.0421 5.3236 5.3236 5.4335 5.4335 5.7946 5.7946 6.0276 6.0276 6.6927 6.6927 6.9952 6.9952 7.3439 7.3439 7.5777 7.5777 7.9619 7.9619 8.3959 8.3959 9.1664 9.1664 9.2862 9.2862 9.6571 9.6571 9.8285 9.8285 15.1338 15.1338 15.2462 15.2462 16.8082 16.8082 k = 0.3061 0.5302 0.3930 ( 2662 PWs) bands (ev): -0.1067 -0.1067 -0.0477 -0.0477 5.2977 5.2977 5.4037 5.4037 5.8250 5.8250 6.0596 6.0596 6.6996 6.6996 6.9984 6.9984 7.3508 7.3508 7.5824 7.5824 7.9728 7.9728 8.3988 8.3988 9.1588 9.1588 9.2586 9.2586 9.7005 9.7005 9.8468 9.8468 15.0810 15.0810 15.2041 15.2041 16.7594 16.7594 k = 0.2993 0.5184 0.3930 ( 2662 PWs) bands (ev): -0.1130 -0.1130 -0.0552 -0.0552 5.2704 5.2704 5.3716 5.3716 5.8582 5.8582 6.0944 6.0944 6.7085 6.7085 7.0025 7.0025 7.3598 7.3598 7.5881 7.5881 7.9870 7.9870 8.4023 8.4023 9.1507 9.1507 9.2321 9.2321 9.7476 9.7476 9.8687 9.8687 15.0152 15.0152 15.1509 15.1509 16.7122 16.7122 k = 0.2925 0.5067 0.3930 ( 2666 PWs) bands (ev): -0.1210 -0.1210 -0.0646 -0.0646 5.2434 5.2434 5.3391 5.3391 5.8928 5.8928 6.1301 6.1301 6.7193 6.7193 7.0072 7.0072 7.3712 7.3712 7.5948 7.5948 8.0045 8.0045 8.4062 8.4062 9.1431 9.1431 9.2084 9.2084 9.7974 9.7974 9.8936 9.8936 14.9378 14.9378 15.0876 15.0876 16.6526 16.6526 k = 0.2857 0.4949 0.3930 ( 2670 PWs) bands (ev): -0.1306 -0.1306 -0.0759 -0.0759 5.2178 5.2178 5.3074 5.3074 5.9275 5.9275 6.1652 6.1652 6.7318 6.7318 7.0125 7.0125 7.3849 7.3849 7.6022 7.6022 8.0254 8.0254 8.4101 8.4101 9.1368 9.1368 9.1883 9.1883 9.8492 9.8492 9.9209 9.9209 14.8505 14.8505 15.0154 15.0154 16.5934 16.5934 k = 0.2789 0.4831 0.3930 ( 2666 PWs) bands (ev): -0.1421 -0.1421 -0.0892 -0.0892 5.1945 5.1945 5.2776 5.2776 5.9616 5.9616 6.1988 6.1988 6.7457 6.7457 7.0180 7.0180 7.4010 7.4010 7.6103 7.6103 8.0493 8.0493 8.4138 8.4138 9.1327 9.1327 9.1731 9.1731 9.9027 9.9027 9.9502 9.9502 14.7550 14.7550 14.9356 14.9356 16.5376 16.5376 k = 0.2721 0.4713 0.3930 ( 2672 PWs) bands (ev): -0.1553 -0.1553 -0.1045 -0.1045 5.1741 5.1741 5.2505 5.2505 5.9947 5.9947 6.2302 6.2302 6.7608 6.7608 7.0236 7.0236 7.4194 7.4194 7.6188 7.6188 8.0759 8.0759 8.4167 8.4167 9.1317 9.1317 9.1634 9.1634 9.9578 9.9578 9.9811 9.9811 14.6528 14.6528 14.8496 14.8496 16.4847 16.4847 k = 0.2653 0.4595 0.3930 ( 2664 PWs) bands (ev): -0.1704 -0.1704 -0.1217 -0.1217 5.1570 5.1570 5.2266 5.2266 6.0265 6.0265 6.2591 6.2591 6.7765 6.7765 7.0292 7.0292 7.4401 7.4401 7.6277 7.6277 8.1045 8.1045 8.4183 8.4183 9.1349 9.1349 9.1601 9.1601 10.0133 10.0133 10.0143 10.0143 14.5456 14.5456 14.7589 14.7589 16.4341 16.4341 k = 0.2585 0.4477 0.3930 ( 2660 PWs) bands (ev): -0.1872 -0.1872 -0.1409 -0.1409 5.1436 5.1436 5.2063 5.2063 6.0567 6.0567 6.2854 6.2854 6.7924 6.7924 7.0343 7.0343 7.4626 7.4626 7.6369 7.6369 8.1342 8.1342 8.4184 8.4184 9.1434 9.1434 9.1641 9.1641 10.0466 10.0466 10.0721 10.0721 14.4347 14.4347 14.6646 14.6646 16.3851 16.3851 k = 0.2517 0.4360 0.3930 ( 2652 PWs) bands (ev): -0.2059 -0.2059 -0.1620 -0.1620 5.1340 5.1340 5.1899 5.1899 6.0852 6.0852 6.3092 6.3092 6.8081 6.8081 7.0390 7.0390 7.4869 7.4869 7.6462 7.6462 8.1641 8.1641 8.4163 8.4163 9.1583 9.1583 9.1760 9.1760 10.0805 10.0805 10.1314 10.1314 14.3211 14.3211 14.5680 14.5680 16.3373 16.3373 k = 0.2449 0.4242 0.3930 ( 2656 PWs) bands (ev): -0.2263 -0.2263 -0.1849 -0.1849 5.1283 5.1283 5.1775 5.1775 6.1120 6.1120 6.3306 6.3306 6.8232 6.8232 7.0431 7.0431 7.5123 7.5123 7.6558 7.6558 8.1930 8.1930 8.4120 8.4120 9.1808 9.1808 9.1961 9.1961 10.1151 10.1151 10.1920 10.1920 14.2060 14.2060 14.4700 14.4700 16.2902 16.2902 k = 0.2381 0.4124 0.3930 ( 2654 PWs) bands (ev): -0.2484 -0.2484 -0.2095 -0.2095 5.1268 5.1268 5.1694 5.1694 6.1372 6.1372 6.3499 6.3499 6.8374 6.8374 7.0464 7.0464 7.5384 7.5384 7.6655 7.6655 8.2197 8.2197 8.4054 8.4054 9.2119 9.2119 9.2247 9.2247 10.1500 10.1500 10.2540 10.2540 14.0903 14.0903 14.3719 14.3719 16.2438 16.2438 k = 0.2313 0.4006 0.3930 ( 2642 PWs) bands (ev): -0.2721 -0.2721 -0.2358 -0.2358 5.1294 5.1294 5.1656 5.1656 6.1608 6.1608 6.3672 6.3672 6.8505 6.8505 7.0489 7.0489 7.5648 7.5648 7.6754 7.6754 8.2433 8.2433 8.3964 8.3964 9.2523 9.2523 9.2616 9.2616 10.1851 10.1851 10.3176 10.3176 13.9748 13.9748 14.2743 14.2743 16.1979 16.1979 k = 0.2245 0.3888 0.3930 ( 2638 PWs) bands (ev): -0.2973 -0.2973 -0.2635 -0.2635 5.1362 5.1362 5.1662 5.1662 6.1828 6.1828 6.3828 6.3828 6.8623 6.8623 7.0504 7.0504 7.5910 7.5910 7.6855 7.6855 8.2630 8.2630 8.3855 8.3855 9.3025 9.3025 9.3064 9.3064 10.2201 10.2201 10.3826 10.3826 13.8604 13.8604 14.1782 14.1782 16.1524 16.1524 k = 0.2177 0.3770 0.3930 ( 2638 PWs) bands (ev): -0.3239 -0.3239 -0.2927 -0.2927 5.1471 5.1471 5.1712 5.1712 6.2034 6.2034 6.3970 6.3970 6.8729 6.8729 7.0510 7.0510 7.6167 7.6167 7.6957 7.6957 8.2784 8.2784 8.3728 8.3728 9.3583 9.3583 9.3622 9.3622 10.2551 10.2551 10.4493 10.4493 13.7478 13.7478 14.0843 14.0843 16.1075 16.1075 k = 0.2109 0.3653 0.3930 ( 2642 PWs) bands (ev): -0.3518 -0.3518 -0.3231 -0.3231 5.1620 5.1620 5.1804 5.1804 6.2225 6.2225 6.4098 6.4098 6.8823 6.8823 7.0507 7.0507 7.6414 7.6414 7.7061 7.7061 8.2896 8.2896 8.3589 8.3589 9.4165 9.4165 9.4311 9.4311 10.2898 10.2898 10.5176 10.5176 13.6377 13.6377 13.9936 13.9936 16.0632 16.0632 k = 0.2041 0.3535 0.3930 ( 2642 PWs) bands (ev): -0.3808 -0.3808 -0.3545 -0.3545 5.1809 5.1809 5.1939 5.1939 6.2404 6.2404 6.4214 6.4214 6.8904 6.8904 7.0495 7.0495 7.6651 7.6651 7.7166 7.7166 8.2967 8.2967 8.3441 8.3441 9.4798 9.4798 9.5080 9.5080 10.3243 10.3243 10.5878 10.5878 13.5311 13.5311 13.9067 13.9067 16.0197 16.0197 k = 0.1973 0.3417 0.3930 ( 2634 PWs) bands (ev): -0.4107 -0.4107 -0.3868 -0.3868 5.2037 5.2037 5.2115 5.2115 6.2571 6.2571 6.4319 6.4319 6.8974 6.8974 7.0473 7.0473 7.6875 7.6875 7.7273 7.7273 8.3004 8.3004 8.3287 8.3287 9.5469 9.5469 9.5915 9.5915 10.3589 10.3589 10.6600 10.6600 13.4287 13.4287 13.8244 13.8244 15.9772 15.9772 k = 0.1905 0.3299 0.3930 ( 2634 PWs) bands (ev): -0.4416 -0.4416 -0.4198 -0.4198 5.2301 5.2301 5.2331 5.2331 6.2726 6.2726 6.4414 6.4414 6.9032 6.9032 7.0442 7.0442 7.7086 7.7086 7.7382 7.7382 8.3010 8.3010 8.3131 8.3131 9.6165 9.6165 9.6798 9.6798 10.3939 10.3939 10.7342 10.7342 13.3315 13.3315 13.7476 13.7476 15.9359 15.9359 k = 0.1837 0.3181 0.3930 ( 2634 PWs) bands (ev): -0.4730 -0.4730 -0.4535 -0.4535 5.2586 5.2586 5.2601 5.2601 6.2871 6.2871 6.4500 6.4500 6.9080 6.9080 7.0403 7.0403 7.7284 7.7284 7.7493 7.7493 8.2976 8.2976 8.2991 8.2992 9.6869 9.6869 9.7706 9.7706 10.4303 10.4303 10.8108 10.8108 13.2406 13.2406 13.6770 13.6770 15.8959 15.8959 k = 0.1769 0.3063 0.3930 ( 2634 PWs) bands (ev): -0.5050 -0.5050 -0.4875 -0.4875 5.2878 5.2878 5.2936 5.2936 6.3006 6.3006 6.4577 6.4577 6.9118 6.9118 7.0357 7.0357 7.7469 7.7469 7.7604 7.7604 8.2824 8.2824 8.2953 8.2953 9.7564 9.7564 9.8606 9.8606 10.4700 10.4700 10.8900 10.8900 13.1570 13.1570 13.6135 13.6135 15.8576 15.8576 k = 0.1701 0.2946 0.3930 ( 2636 PWs) bands (ev): -0.5374 -0.5374 -0.5217 -0.5217 5.3205 5.3205 5.3302 5.3302 6.3131 6.3131 6.4644 6.4644 6.9146 6.9146 7.0302 7.0302 7.7643 7.7643 7.7718 7.7718 8.2677 8.2677 8.2900 8.2900 9.8232 9.8232 9.9457 9.9457 10.5157 10.5157 10.9719 10.9719 13.0819 13.0819 13.5577 13.5577 15.8211 15.8211 k = 0.1633 0.2828 0.3930 ( 2636 PWs) bands (ev): -0.5698 -0.5698 -0.5560 -0.5560 5.3566 5.3566 5.3698 5.3698 6.3247 6.3247 6.4704 6.4704 6.9166 6.9166 7.0241 7.0241 7.7807 7.7807 7.7832 7.7832 8.2537 8.2537 8.2835 8.2835 9.8854 9.8854 10.0209 10.0209 10.5712 10.5712 11.0567 11.0567 13.0167 13.0167 13.5104 13.5104 15.7867 15.7867 k = 0.1565 0.2710 0.3930 ( 2640 PWs) bands (ev): -0.6023 -0.6023 -0.5901 -0.5901 5.3957 5.3957 5.4122 5.4122 6.3354 6.3354 6.4755 6.4755 6.9177 6.9177 7.0174 7.0174 7.7947 7.7947 7.7961 7.7961 8.2404 8.2404 8.2761 8.2761 9.9411 9.9411 10.0812 10.0812 10.6404 10.6404 11.1448 11.1448 12.9626 12.9626 13.4722 13.4722 15.7547 15.7547 k = 0.1497 0.2592 0.3930 ( 2642 PWs) bands (ev): -0.6347 -0.6347 -0.6240 -0.6240 5.4378 5.4378 5.4573 5.4573 6.3454 6.3454 6.4797 6.4797 6.9180 6.9180 7.0101 7.0101 7.8064 7.8064 7.8108 7.8108 8.2280 8.2280 8.2682 8.2682 9.9886 9.9886 10.1234 10.1234 10.7254 10.7254 11.2360 11.2360 12.9210 12.9210 13.4435 13.4435 15.7253 15.7253 k = 0.1429 0.2474 0.3930 ( 2642 PWs) bands (ev): -0.6667 -0.6667 -0.6574 -0.6574 5.4825 5.4825 5.5047 5.5047 6.3545 6.3545 6.4832 6.4832 6.9175 6.9175 7.0022 7.0022 7.8181 7.8181 7.8248 7.8248 8.2163 8.2163 8.2598 8.2598 10.0262 10.0262 10.1474 10.1474 10.8255 10.8255 11.3304 11.3304 12.8931 12.8931 13.4247 13.4247 15.6989 15.6989 k = 0.1361 0.2357 0.3930 ( 2638 PWs) bands (ev): -0.6982 -0.6982 -0.6902 -0.6902 5.5296 5.5296 5.5542 5.5542 6.3629 6.3629 6.4859 6.4859 6.9163 6.9163 6.9939 6.9939 7.8299 7.8299 7.8383 7.8383 8.2056 8.2056 8.2511 8.2511 10.0530 10.0530 10.1553 10.1553 10.9380 10.9380 11.4277 11.4277 12.8797 12.8797 13.4158 13.4158 15.6757 15.6757 k = 0.1293 0.2239 0.3930 ( 2634 PWs) bands (ev): -0.7292 -0.7292 -0.7223 -0.7223 5.5789 5.5789 5.6056 5.6056 6.3706 6.3706 6.4879 6.4879 6.9144 6.9144 6.9852 6.9852 7.8417 7.8417 7.8514 7.8514 8.1957 8.1957 8.2423 8.2423 10.0682 10.0682 10.1498 10.1498 11.0597 11.0597 11.5275 11.5275 12.8816 12.8816 13.4168 13.4168 15.6561 15.6561 k = 0.1224 0.2121 0.3930 ( 2634 PWs) bands (ev): -0.7593 -0.7593 -0.7535 -0.7535 5.6301 5.6301 5.6586 5.6586 6.3777 6.3777 6.4891 6.4891 6.9118 6.9118 6.9761 6.9761 7.8536 7.8536 7.8642 7.8642 8.1867 8.1867 8.2334 8.2334 10.0717 10.0717 10.1332 10.1332 11.1879 11.1879 11.6290 11.6290 12.8991 12.8991 13.4274 13.4274 15.6405 15.6405 k = 0.1156 0.2003 0.3930 ( 2626 PWs) bands (ev): -0.7886 -0.7886 -0.7837 -0.7837 5.6830 5.6830 5.7130 5.7130 6.3841 6.3841 6.4896 6.4896 6.9085 6.9085 6.9666 6.9666 7.8656 7.8656 7.8767 7.8767 8.1784 8.1784 8.2245 8.2245 10.0641 10.0641 10.1076 10.1076 11.3205 11.3205 11.7315 11.7315 12.9320 12.9320 13.4471 13.4471 15.6293 15.6293 k = 0.1088 0.1885 0.3930 ( 2636 PWs) bands (ev): -0.8169 -0.8169 -0.8129 -0.8129 5.7371 5.7371 5.7684 5.7684 6.3899 6.3899 6.4895 6.4895 6.9045 6.9045 6.9567 6.9567 7.8776 7.8776 7.8891 7.8891 8.1708 8.1708 8.2156 8.2156 10.0460 10.0460 10.0746 10.0746 11.4556 11.4556 11.8342 11.8342 12.9797 12.9797 13.4752 13.4752 15.6230 15.6230 k = 0.1020 0.1767 0.3930 ( 2636 PWs) bands (ev): -0.8441 -0.8441 -0.8407 -0.8407 5.7922 5.7922 5.8245 5.8245 6.3953 6.3953 6.4888 6.4888 6.9000 6.9000 6.9466 6.9466 7.8897 7.8897 7.9013 7.9013 8.1638 8.1638 8.2067 8.2067 10.0189 10.0189 10.0358 10.0358 11.5918 11.5918 11.9361 11.9361 13.0412 13.0412 13.5108 13.5108 15.6221 15.6221 k = 0.0952 0.1650 0.3930 ( 2640 PWs) bands (ev): -0.8700 -0.8700 -0.8673 -0.8673 5.8481 5.8481 5.8810 5.8810 6.4001 6.4001 6.4876 6.4876 6.8948 6.8948 6.9361 6.9361 7.9018 7.9018 7.9135 7.9135 8.1575 8.1575 8.1978 8.1978 9.9841 9.9841 9.9922 9.9922 11.7279 11.7279 12.0365 12.0365 13.1151 13.1151 13.5531 13.5531 15.6271 15.6271 k = 0.0884 0.1532 0.3930 ( 2640 PWs) bands (ev): -0.8946 -0.8946 -0.8924 -0.8924 5.9042 5.9042 5.9376 5.9376 6.4046 6.4046 6.4859 6.4859 6.8889 6.8889 6.9253 6.9253 7.9140 7.9140 7.9255 7.9255 8.1516 8.1516 8.1889 8.1889 9.9433 9.9433 9.9453 9.9453 11.8625 11.8625 12.1345 12.1345 13.1998 13.1998 13.6009 13.6009 15.6386 15.6386 k = 0.0816 0.1414 0.3930 ( 2644 PWs) bands (ev): -0.9177 -0.9177 -0.9160 -0.9160 5.9603 5.9603 5.9937 5.9937 6.4087 6.4087 6.4837 6.4837 6.8825 6.8825 6.9141 6.9141 7.9263 7.9263 7.9375 7.9375 8.1461 8.1461 8.1801 8.1801 9.8961 9.8961 9.8981 9.8981 11.9946 11.9946 12.2295 12.2295 13.2934 13.2934 13.6532 13.6532 15.6571 15.6571 k = 0.0748 0.1296 0.3930 ( 2642 PWs) bands (ev): -0.9393 -0.9393 -0.9380 -0.9380 6.0159 6.0159 6.0491 6.0491 6.4125 6.4125 6.4812 6.4812 6.8754 6.8754 6.9025 6.9025 7.9386 7.9386 7.9494 7.9494 8.1409 8.1409 8.1712 8.1712 9.8458 9.8458 9.8499 9.8499 12.1228 12.1228 12.3209 12.3209 13.3937 13.3937 13.7090 13.7090 15.6830 15.6830 k = 0.0680 0.1178 0.3930 ( 2644 PWs) bands (ev): -0.9593 -0.9593 -0.9583 -0.9583 6.0707 6.0707 6.1032 6.1032 6.4161 6.4161 6.4784 6.4784 6.8676 6.8676 6.8905 6.8905 7.9509 7.9509 7.9612 7.9612 8.1358 8.1358 8.1624 8.1624 9.7953 9.7953 9.8004 9.8004 12.2457 12.2457 12.4081 12.4081 13.4985 13.4985 13.7671 13.7671 15.7165 15.7165 k = 0.0612 0.1060 0.3930 ( 2652 PWs) bands (ev): -0.9776 -0.9776 -0.9769 -0.9769 6.1241 6.1241 6.1556 6.1556 6.4196 6.4196 6.4755 6.4755 6.8592 6.8592 6.8781 6.8781 7.9634 7.9634 7.9729 7.9729 8.1309 8.1309 8.1535 8.1535 9.7458 9.7458 9.7508 9.7508 12.3621 12.3621 12.4907 12.4907 13.6054 13.6054 13.8265 13.8265 15.7578 15.7578 k = 0.0544 0.0943 0.3930 ( 2644 PWs) bands (ev): -0.9942 -0.9942 -0.9937 -0.9937 6.1755 6.1755 6.2055 6.2055 6.4231 6.4231 6.4724 6.4724 6.8501 6.8501 6.8653 6.8653 7.9758 7.9758 7.9844 7.9844 8.1259 8.1259 8.1445 8.1445 9.6981 9.6981 9.7026 9.7026 12.4704 12.4704 12.5679 12.5679 13.7118 13.7118 13.8864 13.8864 15.8063 15.8063 k = 0.0476 0.0825 0.3930 ( 2644 PWs) bands (ev): -1.0089 -1.0089 -1.0086 -1.0086 6.2245 6.2245 6.2524 6.2524 6.4268 6.4268 6.4693 6.4693 6.8405 6.8405 6.8522 6.8522 7.9882 7.9882 7.9956 7.9956 8.1208 8.1208 8.1355 8.1355 9.6532 9.6532 9.6568 9.6568 12.5690 12.5690 12.6392 12.6392 13.8149 13.8149 13.9458 13.9458 15.8613 15.8613 k = 0.0408 0.0707 0.3930 ( 2640 PWs) bands (ev): -1.0218 -1.0218 -1.0216 -1.0216 6.2702 6.2702 6.2952 6.2952 6.4309 6.4309 6.4664 6.4664 6.8303 6.8303 6.8389 6.8389 8.0006 8.0006 8.0067 8.0067 8.1154 8.1154 8.1264 8.1264 9.6121 9.6121 9.6147 9.6147 12.6567 12.6567 12.7038 12.7038 13.9120 13.9120 14.0035 14.0035 15.9207 15.9207 k = 0.0340 0.0589 0.3930 ( 2646 PWs) bands (ev): -1.0328 -1.0328 -1.0327 -1.0327 6.3119 6.3119 6.3331 6.3331 6.4357 6.4357 6.4639 6.4639 6.8199 6.8199 6.8256 6.8256 8.0128 8.0128 8.0175 8.0175 8.1095 8.1095 8.1173 8.1173 9.5755 9.5755 9.5772 9.5772 12.7322 12.7322 12.7609 12.7609 14.0001 14.0001 14.0583 14.0583 15.9819 15.9819 k = 0.0272 0.0471 0.3930 ( 2638 PWs) bands (ev): -1.0418 -1.0418 -1.0418 -1.0418 6.3482 6.3482 6.3643 6.3643 6.4418 6.4418 6.4620 6.4620 6.8095 6.8095 6.8130 6.8130 8.0247 8.0247 8.0281 8.0281 8.1032 8.1032 8.1082 8.1082 9.5444 9.5444 9.5453 9.5453 12.7944 12.7944 12.8098 12.8098 14.0762 14.0762 14.1086 14.1086 16.0406 16.0406 k = 0.0204 0.0353 0.3930 ( 2638 PWs) bands (ev): -1.0489 -1.0489 -1.0489 -1.0489 6.3778 6.3778 6.3876 6.3876 6.4497 6.4497 6.4614 6.4614 6.7999 6.7999 6.8016 6.8016 8.0362 8.0362 8.0383 8.0383 8.0963 8.0963 8.0990 8.0990 9.5192 9.5192 9.5197 9.5197 12.8426 12.8426 12.8494 12.8494 14.1377 14.1377 14.1523 14.1523 16.0916 16.0916 k = 0.0136 0.0236 0.3930 ( 2630 PWs) bands (ev): -1.0539 -1.0539 -1.0539 -1.0539 6.3987 6.3987 6.4025 6.4025 6.4583 6.4583 6.4627 6.4627 6.7918 6.7918 6.7924 6.7924 8.0472 8.0472 8.0481 8.0481 8.0888 8.0888 8.0900 8.0900 9.5008 9.5008 9.5010 9.5010 12.8768 12.8768 12.8788 12.8788 14.1824 14.1824 14.1870 14.1870 16.1298 16.1298 k = 0.0068 0.0118 0.3930 ( 2622 PWs) bands (ev): -1.0570 -1.0570 -1.0570 -1.0570 6.4099 6.4099 6.4105 6.4105 6.4650 6.4650 6.4656 6.4656 6.7863 6.7863 6.7863 6.7863 8.0568 8.0568 8.0571 8.0571 8.0813 8.0813 8.0815 8.0815 9.4896 9.4896 9.4896 9.4896 12.8969 12.8969 12.8972 12.8972 14.2091 14.2091 14.2097 14.2097 16.1524 16.1531 k = 0.0000 0.0000 0.3930 ( 2614 PWs) bands (ev): -1.0579 -1.0579 -1.0579 -1.0579 6.4131 6.4131 6.4131 6.4131 6.4673 6.4673 6.4673 6.4673 6.7843 6.7843 6.7843 6.7843 8.0621 8.0621 8.0621 8.0621 8.0767 8.0767 8.0767 8.0767 9.4858 9.4858 9.4858 9.4858 12.9035 12.9035 12.9035 12.9035 14.2178 14.2178 14.2178 14.2178 16.1589 16.1589 k = 0.5000 0.2887 0.3930 ( 2656 PWs) bands (ev): -0.1708 -0.1708 -0.1708 -0.1708 4.8216 4.8216 4.8216 4.8216 6.4522 6.4522 6.4522 6.4522 6.9833 6.9833 6.9833 6.9833 7.6079 7.6079 7.6079 7.6079 8.4819 8.4819 8.4819 8.4819 8.7106 8.7106 8.7106 8.7106 11.6311 11.6311 11.6311 11.6311 12.4687 12.4687 12.4687 12.4687 15.6139 15.6139 k = 0.5000 0.2887 0.3794 ( 2658 PWs) bands (ev): -0.1741 -0.1741 -0.1681 -0.1681 4.7661 4.7661 4.8791 4.8791 6.4118 6.4118 6.4903 6.4903 6.9316 6.9316 7.0339 7.0339 7.5918 7.5918 7.6288 7.6288 8.4696 8.4696 8.4930 8.4930 8.6995 8.6995 8.7266 8.7266 11.5273 11.5273 11.7339 11.7339 12.3773 12.3773 12.5615 12.5615 15.5151 15.5151 k = 0.5000 0.2887 0.3659 ( 2654 PWs) bands (ev): -0.1780 -0.1780 -0.1661 -0.1661 4.7123 4.7123 4.9384 4.9384 6.3704 6.3704 6.5242 6.5242 6.8818 6.8818 7.0815 7.0815 7.5806 7.5806 7.6544 7.6544 8.4566 8.4566 8.5024 8.5024 8.6939 8.6939 8.7469 8.7469 11.4240 11.4240 11.8322 11.8322 12.2908 12.2908 12.6548 12.6548 15.4072 15.4072 k = 0.5000 0.2887 0.3523 ( 2646 PWs) bands (ev): -0.1825 -0.1825 -0.1647 -0.1647 4.6604 4.6604 4.9995 4.9995 6.3286 6.3286 6.5500 6.5500 6.8384 6.8384 7.1249 7.1249 7.5740 7.5740 7.6846 7.6846 8.4434 8.4434 8.5098 8.5098 8.6944 8.6944 8.7711 8.7711 11.3219 11.3219 11.9143 11.9143 12.2205 12.2205 12.7481 12.7481 15.2926 15.2926 k = 0.5000 0.2887 0.3388 ( 2648 PWs) bands (ev): -0.1876 -0.1876 -0.1641 -0.1641 4.6102 4.6102 5.0625 5.0625 6.2869 6.2869 6.5609 6.5609 6.8089 6.8089 7.1634 7.1634 7.5719 7.5719 7.7188 7.7188 8.4301 8.4301 8.5152 8.5152 8.7007 8.7007 8.7987 8.7987 11.2213 11.2213 11.9434 11.9434 12.2029 12.2029 12.8412 12.8412 15.1733 15.1733 k = 0.5000 0.2887 0.3252 ( 2644 PWs) bands (ev): -0.1931 -0.1931 -0.1641 -0.1641 4.5618 4.5618 5.1273 5.1273 6.2455 6.2455 6.5504 6.5504 6.8005 6.8005 7.1967 7.1967 7.5745 7.5745 7.7561 7.7561 8.4171 8.4171 8.5190 8.5190 8.7123 8.7123 8.8294 8.8294 11.1227 11.1227 11.8959 11.8959 12.2615 12.2615 12.9341 12.9341 15.0515 15.0515 k = 0.5000 0.2887 0.3117 ( 2648 PWs) bands (ev): -0.1991 -0.1991 -0.1648 -0.1648 4.5150 4.5150 5.1938 5.1938 6.2048 6.2048 6.5199 6.5199 6.8120 6.8120 7.2251 7.2251 7.5814 7.5814 7.7954 7.7954 8.4046 8.4046 8.5219 8.5219 8.7281 8.7281 8.8633 8.8633 11.0261 11.0261 11.8123 11.8123 12.3556 12.3556 13.0269 13.0269 14.9295 14.9295 k = 0.5000 0.2887 0.2981 ( 2648 PWs) bands (ev): -0.2055 -0.2055 -0.1661 -0.1661 4.4698 4.4698 5.2619 5.2619 6.1650 6.1650 6.4778 6.4778 6.8355 6.8355 7.2489 7.2489 7.5927 7.5927 7.8358 7.8358 8.3928 8.3928 8.5244 8.5244 8.7470 8.7470 8.8999 8.8999 10.9318 10.9318 11.7169 11.7169 12.4608 12.4608 13.1192 13.1192 14.8094 14.8094 k = 0.5000 0.2887 0.2846 ( 2648 PWs) bands (ev): -0.2122 -0.2122 -0.1680 -0.1680 4.4262 4.4262 5.3315 5.3315 6.1261 6.1261 6.4307 6.4307 6.8646 6.8646 7.2689 7.2689 7.6081 7.6081 7.8762 7.8762 8.3821 8.3821 8.5269 8.5269 8.7680 8.7680 8.9391 8.9391 10.8400 10.8400 11.6165 11.6165 12.5701 12.5701 13.2106 13.2106 14.6935 14.6935 k = 0.5000 0.2887 0.2710 ( 2648 PWs) bands (ev): -0.2191 -0.2191 -0.1704 -0.1704 4.3841 4.3841 5.4024 5.4024 6.0884 6.0884 6.3824 6.3824 6.8957 6.8957 7.2859 7.2859 7.6275 7.6275 7.9157 7.9157 8.3727 8.3727 8.5293 8.5293 8.7902 8.7902 8.9805 8.9805 10.7506 10.7506 11.5135 11.5135 12.6811 12.6811 13.3002 13.3002 14.5848 14.5848 k = 0.5000 0.2887 0.2575 ( 2650 PWs) bands (ev): -0.2263 -0.2263 -0.1734 -0.1734 4.3436 4.3436 5.4744 5.4744 6.0519 6.0519 6.3347 6.3347 6.9270 6.9270 7.3005 7.3005 7.6503 7.6503 7.9540 7.9540 8.3650 8.3650 8.5315 8.5315 8.8129 8.8129 9.0235 9.0235 10.6638 10.6638 11.4089 11.4089 12.7928 12.7928 13.3862 13.3862 14.4866 14.4866 k = 0.5000 0.2887 0.2439 ( 2662 PWs) bands (ev): -0.2336 -0.2336 -0.1768 -0.1768 4.3046 4.3046 5.5472 5.5472 6.0169 6.0169 6.2887 6.2887 6.9578 6.9578 7.3134 7.3134 7.6761 7.6761 7.9908 7.9908 8.3594 8.3594 8.5330 8.5330 8.8357 8.8357 9.0673 9.0673 10.5797 10.5797 11.3036 11.3036 12.9048 12.9048 13.4650 13.4650 14.4039 14.4039 k = 0.5000 0.2887 0.2304 ( 2652 PWs) bands (ev): -0.2409 -0.2409 -0.1805 -0.1805 4.2672 4.2672 5.6205 5.6205 5.9833 5.9833 6.2450 6.2450 6.9875 6.9875 7.3250 7.3250 7.7043 7.7043 8.0260 8.0260 8.3566 8.3566 8.5336 8.5336 8.8580 8.8580 9.1109 9.1109 10.4983 10.4983 11.1980 11.1980 13.0168 13.0168 13.5310 13.5310 14.3436 14.3436 k = 0.5000 0.2887 0.2168 ( 2652 PWs) bands (ev): -0.2482 -0.2482 -0.1846 -0.1846 4.2313 4.2313 5.6940 5.6940 5.9513 5.9513 6.2040 6.2040 7.0159 7.0159 7.3359 7.3359 7.7342 7.7342 8.0599 8.0599 8.3569 8.3569 8.5326 8.5326 8.8794 8.8794 9.1535 9.1535 10.4196 10.4196 11.0925 11.0925 13.1289 13.1289 13.5767 13.5767 14.3144 14.3144 k = 0.5000 0.2887 0.2033 ( 2652 PWs) bands (ev): -0.2555 -0.2555 -0.1889 -0.1889 4.1970 4.1970 5.7670 5.7670 5.9211 5.9211 6.1659 6.1659 7.0430 7.0430 7.3463 7.3463 7.7649 7.7649 8.0928 8.0928 8.3611 8.3611 8.5297 8.5297 8.8998 8.8998 9.1939 9.1939 10.3435 10.3435 10.9878 10.9878 13.2412 13.2412 13.5960 13.5960 14.3232 14.3232 k = 0.5000 0.2887 0.1897 ( 2646 PWs) bands (ev): -0.2626 -0.2626 -0.1935 -0.1935 4.1644 4.1644 5.8378 5.8378 5.8940 5.8940 6.1309 6.1309 7.0690 7.0690 7.3565 7.3565 7.7953 7.7953 8.1251 8.1251 8.3698 8.3698 8.5245 8.5245 8.9188 8.9188 9.2311 9.2311 10.2701 10.2701 10.8844 10.8844 13.3534 13.3534 13.5901 13.5901 14.3698 14.3698 k = 0.5000 0.2887 0.1762 ( 2652 PWs) bands (ev): -0.2695 -0.2695 -0.1981 -0.1981 4.1336 4.1336 5.8615 5.8615 5.9138 5.9138 6.0997 6.0997 7.0939 7.0939 7.3666 7.3666 7.8244 7.8244 8.1572 8.1572 8.3836 8.3836 8.5168 8.5168 8.9364 8.9364 9.2642 9.2642 10.1991 10.1991 10.7827 10.7827 13.4628 13.4628 13.5698 13.5698 14.4466 14.4466 k = 0.5000 0.2887 0.1626 ( 2652 PWs) bands (ev): -0.2761 -0.2761 -0.2027 -0.2027 4.1045 4.1045 5.8380 5.8380 5.9779 5.9779 6.0744 6.0744 7.1181 7.1181 7.3766 7.3766 7.8511 7.8511 8.1898 8.1898 8.4029 8.4029 8.5063 8.5063 8.9524 8.9524 9.2923 9.2923 10.1304 10.1304 10.6836 10.6836 13.5128 13.5128 13.6012 13.6012 14.5443 14.5443 k = 0.5000 0.2887 0.1491 ( 2660 PWs) bands (ev): -0.2825 -0.2825 -0.2073 -0.2073 4.0774 4.0774 5.8148 5.8148 6.0174 6.0174 6.0757 6.0757 7.1418 7.1418 7.3864 7.3864 7.8745 7.8745 8.2232 8.2232 8.4279 8.4279 8.4933 8.4933 8.9668 8.9668 9.3149 9.3149 10.0640 10.0640 10.5878 10.5878 13.4827 13.4827 13.7121 13.7121 14.6556 14.6556 k = 0.5000 0.2887 0.1355 ( 2650 PWs) bands (ev): -0.2884 -0.2884 -0.2118 -0.2118 4.0522 4.0522 5.7934 5.7934 6.0071 6.0071 6.1270 6.1270 7.1654 7.1654 7.3959 7.3959 7.8941 7.8941 8.2575 8.2575 8.4582 8.4582 8.4782 8.4782 8.9794 8.9794 9.3312 9.3312 9.9997 9.9997 10.4962 10.4962 13.4472 13.4472 13.8321 13.8321 14.7751 14.7751 k = 0.5000 0.2887 0.1220 ( 2654 PWs) bands (ev): -0.2940 -0.2940 -0.2160 -0.2160 4.0291 4.0291 5.7738 5.7738 5.9883 5.9883 6.1857 6.1857 7.1892 7.1892 7.4049 7.4049 7.9097 7.9097 8.2922 8.2922 8.4603 8.4603 8.4955 8.4955 8.9903 8.9903 9.3408 9.3408 9.9376 9.9376 10.4098 10.4098 13.4140 13.4140 13.9561 13.9561 14.8988 14.8988 k = 0.5000 0.2887 0.1084 ( 2648 PWs) bands (ev): -0.2991 -0.2991 -0.2200 -0.2200 4.0081 4.0081 5.7561 5.7561 5.9703 5.9703 6.2418 6.2418 7.2133 7.2133 7.4131 7.4131 7.9216 7.9216 8.3252 8.3252 8.4441 8.4441 8.5368 8.5368 8.9993 8.9993 9.3433 9.3433 9.8777 9.8777 10.3299 10.3299 13.3847 13.3847 14.0837 14.0837 15.0224 15.0224 k = 0.5000 0.2887 0.0949 ( 2652 PWs) bands (ev): -0.3037 -0.3037 -0.2237 -0.2237 3.9894 3.9894 5.7405 5.7405 5.9542 5.9542 6.2934 6.2934 7.2381 7.2381 7.4201 7.4201 7.9301 7.9301 8.3505 8.3505 8.4342 8.4342 8.5828 8.5828 9.0064 9.0064 9.3386 9.3386 9.8202 9.8202 10.2577 10.2577 13.3598 13.3598 14.2145 14.2145 15.1408 15.1408 k = 0.5000 0.2887 0.0813 ( 2644 PWs) bands (ev): -0.3077 -0.3077 -0.2270 -0.2270 3.9730 3.9730 5.7268 5.7268 5.9404 5.9404 6.3394 6.3394 7.2633 7.2633 7.4255 7.4255 7.9358 7.9358 8.3564 8.3564 8.4424 8.4424 8.6326 8.6326 9.0113 9.0113 9.3268 9.3268 9.7657 9.7657 10.1943 10.1943 13.3393 13.3393 14.3482 14.3482 15.2460 15.2460 k = 0.5000 0.2887 0.0678 ( 2648 PWs) bands (ev): -0.3112 -0.3112 -0.2299 -0.2299 3.9590 3.9590 5.7152 5.7152 5.9287 5.9287 6.3791 6.3791 7.2888 7.2888 7.4289 7.4289 7.9393 7.9393 8.3448 8.3448 8.4667 8.4667 8.6853 8.6853 9.0138 9.0138 9.3083 9.3083 9.7150 9.7150 10.1408 10.1408 13.3229 13.3229 14.4840 14.4840 15.3256 15.3256 k = 0.5000 0.2887 0.0542 ( 2642 PWs) bands (ev): -0.3141 -0.3141 -0.2324 -0.2324 3.9475 3.9475 5.7057 5.7057 5.9192 5.9192 6.4121 6.4121 7.3140 7.3140 7.4299 7.4299 7.9411 7.9411 8.3281 8.3281 8.4948 8.4948 8.7396 8.7396 9.0132 9.0132 9.2847 9.2847 9.6695 9.6695 10.0976 10.0976 13.3102 13.3102 14.6205 14.6205 15.3670 15.3670 k = 0.5000 0.2887 0.0407 ( 2646 PWs) bands (ev): -0.3164 -0.3164 -0.2343 -0.2343 3.9384 3.9384 5.6983 5.6983 5.9119 5.9119 6.4380 6.4380 7.3383 7.3383 7.4279 7.4279 7.9418 7.9418 8.3120 8.3120 8.5205 8.5205 8.7938 8.7938 9.0085 9.0085 9.2584 9.2584 9.6309 9.6309 10.0648 10.0648 13.3009 13.3009 14.7552 14.7552 15.3701 15.3701 k = 0.5000 0.2887 0.0271 ( 2646 PWs) bands (ev): -0.3180 -0.3180 -0.2357 -0.2357 3.9319 3.9319 5.6930 5.6930 5.9067 5.9067 6.4566 6.4566 7.3606 7.3606 7.4227 7.4227 7.9419 7.9419 8.2990 8.2990 8.5410 8.5410 8.8455 8.8455 8.9980 8.9980 9.2333 9.2333 9.6012 9.6012 10.0420 10.0420 13.2945 13.2945 14.8835 14.8835 15.3431 15.3431 k = 0.5000 0.2887 0.0136 ( 2646 PWs) bands (ev): -0.3189 -0.3189 -0.2366 -0.2366 3.9280 3.9280 5.6898 5.6898 5.9036 5.9036 6.4678 6.4678 7.3797 7.3797 7.4144 7.4144 7.9417 7.9417 8.2907 8.2907 8.5541 8.5541 8.8904 8.8904 8.9812 8.9812 9.2149 9.2149 9.5824 9.5824 10.0286 10.0286 13.2908 13.2908 14.9937 14.9937 15.2956 15.2956 k = 0.5000 0.2887-0.0000 ( 2650 PWs) bands (ev): -0.3193 -0.3193 -0.2369 -0.2369 3.9267 3.9267 5.6887 5.6887 5.9025 5.9025 6.4715 6.4715 7.3903 7.3903 7.4075 7.4075 7.9416 7.9416 8.2878 8.2878 8.5587 8.5587 8.9139 8.9139 8.9678 8.9678 9.2080 9.2080 9.5760 9.5760 10.0241 10.0241 13.2896 13.2896 15.0471 15.0471 15.2633 15.2633 k = 0.3333 0.5774-0.0000 ( 2640 PWs) bands (ev): -0.1516 -0.1516 -0.0903 -0.0903 3.7414 3.7414 5.4857 5.4857 5.5813 5.5813 6.3816 6.3816 6.7627 6.7627 7.5085 7.5085 7.5461 7.5461 8.5925 8.5925 8.7374 8.7374 9.1815 9.1815 9.3682 9.3682 9.6913 9.6913 10.7263 10.7263 10.9238 10.9238 11.5430 11.5430 11.5489 11.5489 14.5149 14.5149 k = 0.3333 0.5774 0.0136 ( 2631 PWs) bands (ev): -0.1514 -0.1514 -0.0901 -0.0901 3.7439 3.7439 5.4858 5.4858 5.5817 5.5817 6.3827 6.3827 6.7622 6.7622 7.5072 7.5072 7.5463 7.5463 8.5910 8.5910 8.7321 8.7321 9.1813 9.1813 9.3649 9.3649 9.6901 9.6901 10.7113 10.7113 10.9067 10.9067 11.5661 11.5661 11.5684 11.5684 14.5206 14.5206 k = 0.3333 0.5774 0.0271 ( 2640 PWs) bands (ev): -0.1510 -0.1510 -0.0897 -0.0897 3.7513 3.7513 5.4861 5.4861 5.5829 5.5829 6.3862 6.3862 6.7608 6.7608 7.5034 7.5034 7.5469 7.5469 8.5860 8.5860 8.7171 8.7171 9.1805 9.1805 9.3552 9.3552 9.6864 9.6864 10.6701 10.6701 10.8617 10.8617 11.6229 11.6229 11.6290 11.6290 14.5375 14.5375 k = 0.3333 0.5774 0.0407 ( 2640 PWs) bands (ev): -0.1502 -0.1502 -0.0889 -0.0889 3.7637 3.7637 5.4866 5.4866 5.5849 5.5849 6.3919 6.3919 6.7585 6.7585 7.4971 7.4971 7.5480 7.5480 8.5758 8.5758 8.6945 8.6945 9.1787 9.1787 9.3392 9.3392 9.6802 9.6802 10.6107 10.6107 10.8011 10.8011 11.7043 11.7043 11.7194 11.7194 14.5654 14.5654 k = 0.3333 0.5774 0.0542 ( 2640 PWs) bands (ev): -0.1491 -0.1491 -0.0878 -0.0878 3.7811 3.7811 5.4872 5.4872 5.5876 5.5876 6.3999 6.3999 6.7553 6.7553 7.4884 7.4884 7.5494 7.5494 8.5566 8.5566 8.6685 8.6685 9.1753 9.1753 9.3177 9.3177 9.6716 9.6716 10.5410 10.5410 10.7341 10.7341 11.8049 11.8049 11.8277 11.8277 14.6039 14.6039 k = 0.3333 0.5774 0.0678 ( 2640 PWs) bands (ev): -0.1477 -0.1477 -0.0865 -0.0865 3.8033 3.8033 5.4879 5.4879 5.5911 5.5911 6.4101 6.4101 6.7514 6.7514 7.4775 7.4775 7.5512 7.5512 8.5236 8.5236 8.6445 8.6445 9.1696 9.1696 9.2918 9.2918 9.6606 9.6606 10.4665 10.4665 10.6662 10.6662 11.9192 11.9192 11.9483 11.9483 14.6526 14.6526 k = 0.3333 0.5774 0.0813 ( 2646 PWs) bands (ev): -0.1461 -0.1461 -0.0848 -0.0848 3.8305 3.8305 5.4888 5.4888 5.5953 5.5953 6.4224 6.4224 6.7468 6.7468 7.4646 7.4646 7.5533 7.5533 8.4748 8.4748 8.6248 8.6248 9.1605 9.1605 9.2633 9.2633 9.6471 9.6471 10.3906 10.3906 10.6001 10.6001 12.0436 12.0436 12.0779 12.0779 14.7107 14.7107 k = 0.3333 0.5774 0.0949 ( 2637 PWs) bands (ev): -0.1442 -0.1442 -0.0829 -0.0829 3.8624 3.8624 5.4896 5.4896 5.6001 5.6001 6.4367 6.4367 6.7417 6.7417 7.4500 7.4500 7.5555 7.5555 8.4123 8.4123 8.6074 8.6074 9.1460 9.1460 9.2353 9.2353 9.6313 9.6313 10.3155 10.3155 10.5371 10.5371 12.1759 12.1759 12.2146 12.2146 14.7776 14.7776 k = 0.3333 0.5774 0.1084 ( 2637 PWs) bands (ev): -0.1420 -0.1420 -0.0808 -0.0808 3.8992 3.8992 5.4905 5.4905 5.6055 5.6055 6.4530 6.4530 6.7362 6.7362 7.4339 7.4339 7.5580 7.5580 8.3392 8.3392 8.5896 8.5896 9.1233 9.1233 9.2119 9.2119 9.6131 9.6131 10.2428 10.2428 10.4778 10.4778 12.3146 12.3146 12.3573 12.3573 14.8525 14.8525 k = 0.3333 0.5774 0.1220 ( 2631 PWs) bands (ev): -0.1396 -0.1396 -0.0784 -0.0784 3.9407 3.9407 5.4914 5.4914 5.6114 5.6114 6.4711 6.4711 6.7305 6.7305 7.4164 7.4164 7.5604 7.5604 8.2573 8.2573 8.5697 8.5697 9.0918 9.0918 9.1955 9.1955 9.5927 9.5927 10.1734 10.1734 10.4220 10.4220 12.4587 12.4587 12.5050 12.5050 14.9343 14.9343 k = 0.3333 0.5774 0.1355 ( 2631 PWs) bands (ev): -0.1371 -0.1371 -0.0759 -0.0759 3.9870 3.9870 5.4922 5.4922 5.6178 5.6178 6.4908 6.4908 6.7246 6.7246 7.3980 7.3980 7.5629 7.5629 8.1683 8.1683 8.5466 8.5466 9.0536 9.0536 9.1851 9.1851 9.5701 9.5701 10.1079 10.1079 10.3697 10.3697 12.6073 12.6073 12.6572 12.6572 15.0221 15.0221 k = 0.3333 0.5774 0.1491 ( 2631 PWs) bands (ev): -0.1344 -0.1344 -0.0732 -0.0732 4.0378 4.0378 5.4928 5.4928 5.6245 5.6245 6.5119 6.5119 6.7189 6.7189 7.3787 7.3787 7.5654 7.5654 8.0732 8.0732 8.5197 8.5197 9.0117 9.0117 9.1791 9.1791 9.5454 9.5454 10.0467 10.0467 10.3204 10.3204 12.7599 12.7599 12.8134 12.8134 15.1150 15.1150 k = 0.3333 0.5774 0.1626 ( 2643 PWs) bands (ev): -0.1316 -0.1316 -0.0704 -0.0704 4.0931 4.0931 5.4933 5.4933 5.6315 5.6315 6.5341 6.5341 6.7132 6.7132 7.3588 7.3588 7.5676 7.5676 7.9734 7.9734 8.4892 8.4892 8.9679 8.9679 9.1765 9.1765 9.5190 9.5190 9.9901 9.9901 10.2737 10.2737 12.9159 12.9159 12.9731 12.9731 15.2118 15.2118 k = 0.3333 0.5774 0.1762 ( 2643 PWs) bands (ev): -0.1287 -0.1287 -0.0675 -0.0675 4.1528 4.1528 5.4936 5.4936 5.6386 5.6386 6.5571 6.5571 6.7079 6.7079 7.3382 7.3382 7.5697 7.5697 7.8702 7.8702 8.4553 8.4553 8.9230 8.9230 9.1771 9.1771 9.4911 9.4911 9.9381 9.9381 10.2294 10.2294 13.0749 13.0749 13.1360 13.1360 15.3114 15.3114 k = 0.3333 0.5774 0.1897 ( 2643 PWs) bands (ev): -0.1258 -0.1258 -0.0645 -0.0645 4.2169 4.2169 5.4937 5.4937 5.6459 5.6459 6.5803 6.5803 6.7030 6.7030 7.3167 7.3167 7.5716 7.5716 7.7652 7.7652 8.4185 8.4185 8.8775 8.8775 9.1805 9.1805 9.4621 9.4621 9.8906 9.8906 10.1871 10.1871 13.2363 13.2363 13.3016 13.3016 15.4128 15.4128 k = 0.3333 0.5774 0.2033 ( 2658 PWs) bands (ev): -0.1228 -0.1228 -0.0616 -0.0616 4.2851 4.2851 5.4935 5.4935 5.6532 5.6532 6.6029 6.6029 6.6986 6.6986 7.2934 7.2934 7.5731 7.5731 7.6608 7.6608 8.3796 8.3796 8.8316 8.8316 9.1864 9.1864 9.4325 9.4325 9.8475 9.8475 10.1467 10.1467 13.3996 13.3996 13.4694 13.4694 15.5149 15.5149 k = 0.3333 0.5774 0.2168 ( 2658 PWs) bands (ev): -0.1198 -0.1198 -0.0586 -0.0586 4.3574 4.3574 5.4931 5.4931 5.6605 5.6605 6.6238 6.6238 6.6947 6.6947 7.2665 7.2665 7.5610 7.5610 7.5743 7.5743 8.3391 8.3391 8.7857 8.7857 9.1948 9.1948 9.4028 9.4028 9.8086 9.8086 10.1080 10.1080 13.5645 13.5645 13.6389 13.6389 15.6166 15.6166 k = 0.3333 0.5774 0.2304 ( 2658 PWs) bands (ev): -0.1169 -0.1169 -0.0557 -0.0557 4.4336 4.4336 5.4925 5.4925 5.6676 5.6676 6.6414 6.6414 6.6915 6.6915 7.2319 7.2319 7.4721 7.4721 7.5752 7.5752 8.2978 8.2978 8.7401 8.7401 9.2051 9.2051 9.3735 9.3735 9.7734 9.7734 10.0708 10.0708 13.7301 13.7301 13.8095 13.8095 15.7169 15.7169 k = 0.3333 0.5774 0.2439 ( 2658 PWs) bands (ev): -0.1140 -0.1140 -0.0528 -0.0528 4.5134 4.5134 5.4916 5.4916 5.6744 5.6744 6.6527 6.6527 6.6888 6.6888 7.1842 7.1842 7.4031 7.4031 7.5758 7.5758 8.2563 8.2563 8.6950 8.6950 9.2171 9.2171 9.3451 9.3451 9.7418 9.7418 10.0353 10.0353 13.8958 13.8958 13.9805 13.9805 15.8152 15.8152 k = 0.3333 0.5774 0.2575 ( 2658 PWs) bands (ev): -0.1113 -0.1113 -0.0501 -0.0501 4.5966 4.5966 5.4906 5.4906 5.6810 5.6810 6.6531 6.6531 6.6867 6.6867 7.1242 7.1242 7.3581 7.3581 7.5760 7.5760 8.2152 8.2152 8.6509 8.6509 9.2304 9.2304 9.3180 9.3180 9.7135 9.7135 10.0013 10.0013 14.0608 14.0608 14.1508 14.1508 15.9108 15.9108 k = 0.3333 0.5774 0.2710 ( 2652 PWs) bands (ev): -0.1086 -0.1086 -0.0475 -0.0475 4.6829 4.6829 5.4894 5.4894 5.6873 5.6873 6.6358 6.6358 6.6852 6.6852 7.0644 7.0644 7.3321 7.3321 7.5760 7.5760 8.1749 8.1749 8.6084 8.6084 9.2447 9.2447 9.2928 9.2928 9.6882 9.6882 9.9691 9.9691 14.2240 14.2240 14.3192 14.3192 16.0036 16.0036 k = 0.3333 0.5774 0.2846 ( 2652 PWs) bands (ev): -0.1062 -0.1062 -0.0450 -0.0450 4.7718 4.7718 5.4882 5.4882 5.6933 5.6933 6.5940 6.5940 6.6842 6.6842 7.0188 7.0188 7.3180 7.3180 7.5756 7.5756 8.1359 8.1359 8.5679 8.5679 9.2595 9.2595 9.2696 9.2696 9.6658 9.6658 9.9387 9.9387 14.3839 14.3839 14.4841 14.4841 16.0938 16.0938 k = 0.3333 0.5774 0.2981 ( 2658 PWs) bands (ev): -0.1040 -0.1040 -0.0429 -0.0429 4.8628 4.8628 5.4869 5.4869 5.6990 5.6990 6.5271 6.5271 6.6836 6.6836 6.9927 6.9927 7.3115 7.3115 7.5751 7.5751 8.0987 8.0987 8.5302 8.5302 9.2487 9.2487 9.2745 9.2745 9.6462 9.6462 9.9104 9.9104 14.5389 14.5389 14.6435 14.6435 16.1821 16.1821 k = 0.3333 0.5774 0.3117 ( 2658 PWs) bands (ev): -0.1021 -0.1021 -0.0409 -0.0409 4.9551 4.9551 5.4856 5.4856 5.7044 5.7044 6.4416 6.4416 6.6833 6.6833 6.9820 6.9820 7.3103 7.3103 7.5745 7.5745 8.0639 8.0639 8.4958 8.4958 9.2304 9.2304 9.2892 9.2892 9.6292 9.6292 9.8845 9.8845 14.6867 14.6867 14.7945 14.7945 16.2702 16.2702 k = 0.3333 0.5774 0.3252 ( 2652 PWs) bands (ev): -0.1003 -0.1003 -0.0391 -0.0391 5.0474 5.0474 5.4844 5.4844 5.7099 5.7099 6.3461 6.3461 6.6833 6.6833 6.9801 6.9801 7.3129 7.3129 7.5737 7.5737 8.0321 8.0321 8.4655 8.4655 9.2147 9.2147 9.3031 9.3031 9.6148 9.6148 9.8613 9.8613 14.8244 14.8244 14.9337 14.9337 16.3604 16.3604 k = 0.3333 0.5774 0.3388 ( 2664 PWs) bands (ev): -0.0989 -0.0989 -0.0378 -0.0378 5.1377 5.1377 5.4834 5.4834 5.7157 5.7157 6.2475 6.2475 6.6834 6.6834 6.9821 6.9821 7.3180 7.3180 7.5730 7.5730 8.0041 8.0041 8.4397 8.4397 9.2018 9.2018 9.3156 9.3156 9.6031 9.6031 9.8412 9.8412 14.9482 14.9482 15.0570 15.0570 16.4554 16.4554 k = 0.3333 0.5774 0.3523 ( 2661 PWs) bands (ev): -0.0978 -0.0978 -0.0366 -0.0366 5.2224 5.2224 5.4825 5.4825 5.7225 5.7225 6.1519 6.1519 6.6836 6.6836 6.9854 6.9854 7.3241 7.3241 7.5724 7.5724 7.9808 7.9808 8.4191 8.4191 9.1917 9.1917 9.3262 9.3262 9.5940 9.5940 9.8248 9.8248 15.0532 15.0532 15.1596 15.1596 16.5587 16.5587 k = 0.3333 0.5774 0.3659 ( 2658 PWs) bands (ev): -0.0969 -0.0969 -0.0358 -0.0358 5.2957 5.2957 5.4818 5.4818 5.7311 5.7311 6.0663 6.0663 6.6838 6.6838 6.9883 6.9883 7.3299 7.3299 7.5719 7.5719 7.9631 7.9631 8.4040 8.4040 9.1845 9.1845 9.3344 9.3344 9.5874 9.5874 9.8126 9.8126 15.1342 15.1342 15.2368 15.2368 16.6729 16.6729 k = 0.3333 0.5774 0.3794 ( 2658 PWs) bands (ev): -0.0964 -0.0964 -0.0353 -0.0353 5.3477 5.3477 5.4814 5.4814 5.7406 5.7406 6.0020 6.0020 6.6840 6.6840 6.9903 6.9903 7.3340 7.3340 7.5716 7.5716 7.9521 7.9521 8.3949 8.3949 9.1801 9.1801 9.3395 9.3395 9.5835 9.5835 9.8051 9.8051 15.1857 15.1857 15.2849 15.2849 16.7989 16.7989 k = 0.3333 0.5774 0.3930 ( 2658 PWs) bands (ev): -0.0963 -0.0963 -0.0351 -0.0351 5.3670 5.3670 5.4813 5.4813 5.7457 5.7457 5.9768 5.9768 6.6840 6.6840 6.9909 6.9909 7.3355 7.3355 7.5715 7.5715 7.9483 7.9483 8.3918 8.3918 9.1787 9.1787 9.3413 9.3413 9.5822 9.5822 9.8025 9.8025 15.2034 15.2034 15.3012 15.3012 16.9069 16.9069 Writing output data file BiPt.save init_run : 0.45s CPU 0.66s WALL ( 1 calls) electrons : 244.40s CPU 247.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 244.40s CPU 247.10s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.11s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 330 calls) cegterg : 233.37s CPU 235.67s WALL ( 829 calls) Called by sum_band: Called by *egterg: h_psi : 148.25s CPU 155.80s WALL ( 14483 calls) s_psi : 8.15s CPU 8.46s WALL ( 14483 calls) g_psi : 0.26s CPU 0.32s WALL ( 13324 calls) cdiaghg : 62.20s CPU 57.97s WALL ( 13654 calls) cegterg:over : 10.14s CPU 9.28s WALL ( 13324 calls) cegterg:upda : 1.72s CPU 3.84s WALL ( 13324 calls) cegterg:last : 1.97s CPU 2.96s WALL ( 2541 calls) Called by h_psi: h_psi:vloc : 137.44s CPU 143.25s WALL ( 14483 calls) h_psi:vnl : 10.76s CPU 12.36s WALL ( 14483 calls) add_vuspsi : 5.92s CPU 6.42s WALL ( 14483 calls) General routines calbec : 4.81s CPU 5.91s WALL ( 14483 calls) fft : 0.03s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 133.02s CPU 135.24s WALL ( 1205148 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.10s CPU 0.09s WALL ( 660 calls) Parallel routines fft_scatter : 106.41s CPU 91.19s WALL ( 1205171 calls) PWSCF : 4m20.25s CPU 4m27.01s WALL This run was terminated on: 14:33:36 17Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=