Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 11:18:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZnI2.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 22 7 742 388 65 Max 35 23 8 745 397 67 Sum 1237 805 253 26745 14127 2367 bravais-lattice index = 14 lattice parameter (alat) = 8.0313 a.u. unit-cell volume = 345.1857 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.031335 celldm(2)= 1.000000 celldm(3)= 0.769412 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.769412 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.299694 ) PseudoPot. # 1 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 I 7.00 126.90450 I( 1.00) Zn 12.00 65.40900 Zn( 1.00) 24 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 392 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0025510 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0025510 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0025510 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0025510 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0025510 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0025510 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0025510 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0025510 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0025510 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0025510 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0025510 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0025510 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0025510 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0025510 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0025510 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0025510 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0025510 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0025510 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0025510 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0025510 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0025510 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0025510 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0025510 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0025510 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0025510 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0025510 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0025510 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0025510 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0025510 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0025510 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0025510 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0025510 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0025510 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0025510 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0025510 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0025510 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0025510 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0025510 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0025510 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0025510 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0025510 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0025510 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025510 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025510 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0025510 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0025510 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0025510 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0025510 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0025510 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0025510 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0025510 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0025510 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0025510 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0025510 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0025510 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0025510 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0025510 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0025510 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0025510 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0025510 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0025510 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0025510 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0025510 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0025510 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0025510 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0025510 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0025510 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0025510 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025510 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025510 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0025510 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0025510 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0025510 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0025510 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0025510 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0025510 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0025510 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0025510 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0025510 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0025510 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0025510 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0025510 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0025510 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0025510 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0025510 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0025510 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0025510 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0025510 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0025510 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0025510 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0025510 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0025510 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0025510 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0025510 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0025510 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0025510 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0025510 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0025510 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0025510 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0025510 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0025510 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0025510 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0025510 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0025510 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0025510 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0025510 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0025510 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0025510 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0025510 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0025510 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0025510 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0025510 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0025510 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0025510 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0025510 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0025510 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0025510 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0025510 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0025510 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 123) = ( 0.0000000 0.0000000 0.0132622), wk = 0.0025510 k( 124) = ( 0.0000000 0.0000000 0.0265244), wk = 0.0025510 k( 125) = ( 0.0000000 0.0000000 0.0397866), wk = 0.0025510 k( 126) = ( 0.0000000 0.0000000 0.0530487), wk = 0.0025510 k( 127) = ( 0.0000000 0.0000000 0.0663109), wk = 0.0025510 k( 128) = ( 0.0000000 0.0000000 0.0795731), wk = 0.0025510 k( 129) = ( 0.0000000 0.0000000 0.0928353), wk = 0.0025510 k( 130) = ( 0.0000000 0.0000000 0.1060975), wk = 0.0025510 k( 131) = ( 0.0000000 0.0000000 0.1193597), wk = 0.0025510 k( 132) = ( 0.0000000 0.0000000 0.1326219), wk = 0.0025510 k( 133) = ( 0.0000000 0.0000000 0.1458840), wk = 0.0025510 k( 134) = ( 0.0000000 0.0000000 0.1591462), wk = 0.0025510 k( 135) = ( 0.0000000 0.0000000 0.1724084), wk = 0.0025510 k( 136) = ( 0.0000000 0.0000000 0.1856706), wk = 0.0025510 k( 137) = ( 0.0000000 0.0000000 0.1989328), wk = 0.0025510 k( 138) = ( 0.0000000 0.0000000 0.2121950), wk = 0.0025510 k( 139) = ( 0.0000000 0.0000000 0.2254572), wk = 0.0025510 k( 140) = ( 0.0000000 0.0000000 0.2387193), wk = 0.0025510 k( 141) = ( 0.0000000 0.0000000 0.2519815), wk = 0.0025510 k( 142) = ( 0.0000000 0.0000000 0.2652437), wk = 0.0025510 k( 143) = ( 0.0000000 0.0000000 0.2785059), wk = 0.0025510 k( 144) = ( 0.0000000 0.0000000 0.2917681), wk = 0.0025510 k( 145) = ( 0.0000000 0.0000000 0.3050303), wk = 0.0025510 k( 146) = ( 0.0000000 0.0000000 0.3182925), wk = 0.0025510 k( 147) = ( 0.0000000 0.0000000 0.3315546), wk = 0.0025510 k( 148) = ( 0.0000000 0.0000000 0.3448168), wk = 0.0025510 k( 149) = ( 0.0000000 0.0000000 0.3580790), wk = 0.0025510 k( 150) = ( 0.0000000 0.0000000 0.3713412), wk = 0.0025510 k( 151) = ( 0.0000000 0.0000000 0.3846034), wk = 0.0025510 k( 152) = ( 0.0000000 0.0000000 0.3978656), wk = 0.0025510 k( 153) = ( 0.0000000 0.0000000 0.4111278), wk = 0.0025510 k( 154) = ( 0.0000000 0.0000000 0.4243899), wk = 0.0025510 k( 155) = ( 0.0000000 0.0000000 0.4376521), wk = 0.0025510 k( 156) = ( 0.0000000 0.0000000 0.4509143), wk = 0.0025510 k( 157) = ( 0.0000000 0.0000000 0.4641765), wk = 0.0025510 k( 158) = ( 0.0000000 0.0000000 0.4774387), wk = 0.0025510 k( 159) = ( 0.0000000 0.0000000 0.4907009), wk = 0.0025510 k( 160) = ( 0.0000000 0.0000000 0.5039631), wk = 0.0025510 k( 161) = ( 0.0000000 0.0000000 0.5172252), wk = 0.0025510 k( 162) = ( 0.0000000 0.0000000 0.5304874), wk = 0.0025510 k( 163) = ( 0.0000000 0.0000000 0.5437496), wk = 0.0025510 k( 164) = ( 0.0000000 0.0000000 0.5570118), wk = 0.0025510 k( 165) = ( 0.0000000 0.0000000 0.5702740), wk = 0.0025510 k( 166) = ( 0.0000000 0.0000000 0.5835362), wk = 0.0025510 k( 167) = ( 0.0000000 0.0000000 0.5967983), wk = 0.0025510 k( 168) = ( 0.0000000 0.0000000 0.6100605), wk = 0.0025510 k( 169) = ( 0.0000000 0.0000000 0.6233227), wk = 0.0025510 k( 170) = ( 0.0000000 0.0000000 0.6365849), wk = 0.0025510 k( 171) = ( 0.0000000 0.0000000 0.6498471), wk = 0.0025510 k( 172) = ( 0.0000000 0.0000000 0.6498471), wk = 0.0025510 k( 173) = ( 0.0116279 0.0067134 0.6498471), wk = 0.0025510 k( 174) = ( 0.0232558 0.0134267 0.6498471), wk = 0.0025510 k( 175) = ( 0.0348837 0.0201401 0.6498471), wk = 0.0025510 k( 176) = ( 0.0465116 0.0268535 0.6498471), wk = 0.0025510 k( 177) = ( 0.0581395 0.0335669 0.6498471), wk = 0.0025510 k( 178) = ( 0.0697674 0.0402803 0.6498471), wk = 0.0025510 k( 179) = ( 0.0813954 0.0469936 0.6498471), wk = 0.0025510 k( 180) = ( 0.0930233 0.0537070 0.6498471), wk = 0.0025510 k( 181) = ( 0.1046512 0.0604204 0.6498471), wk = 0.0025510 k( 182) = ( 0.1162791 0.0671338 0.6498471), wk = 0.0025510 k( 183) = ( 0.1279070 0.0738471 0.6498471), wk = 0.0025510 k( 184) = ( 0.1395349 0.0805605 0.6498471), wk = 0.0025510 k( 185) = ( 0.1511628 0.0872739 0.6498471), wk = 0.0025510 k( 186) = ( 0.1627907 0.0939873 0.6498471), wk = 0.0025510 k( 187) = ( 0.1744186 0.1007006 0.6498471), wk = 0.0025510 k( 188) = ( 0.1860465 0.1074140 0.6498471), wk = 0.0025510 k( 189) = ( 0.1976744 0.1141274 0.6498471), wk = 0.0025510 k( 190) = ( 0.2093023 0.1208408 0.6498471), wk = 0.0025510 k( 191) = ( 0.2209302 0.1275541 0.6498471), wk = 0.0025510 k( 192) = ( 0.2325581 0.1342675 0.6498471), wk = 0.0025510 k( 193) = ( 0.2441860 0.1409809 0.6498471), wk = 0.0025510 k( 194) = ( 0.2558140 0.1476943 0.6498471), wk = 0.0025510 k( 195) = ( 0.2674419 0.1544076 0.6498471), wk = 0.0025510 k( 196) = ( 0.2790698 0.1611210 0.6498471), wk = 0.0025510 k( 197) = ( 0.2906977 0.1678344 0.6498471), wk = 0.0025510 k( 198) = ( 0.3023256 0.1745478 0.6498471), wk = 0.0025510 k( 199) = ( 0.3139535 0.1812611 0.6498471), wk = 0.0025510 k( 200) = ( 0.3255814 0.1879745 0.6498471), wk = 0.0025510 k( 201) = ( 0.3372093 0.1946879 0.6498471), wk = 0.0025510 k( 202) = ( 0.3488372 0.2014013 0.6498471), wk = 0.0025510 k( 203) = ( 0.3604651 0.2081146 0.6498471), wk = 0.0025510 k( 204) = ( 0.3720930 0.2148280 0.6498471), wk = 0.0025510 k( 205) = ( 0.3837209 0.2215414 0.6498471), wk = 0.0025510 k( 206) = ( 0.3953488 0.2282548 0.6498471), wk = 0.0025510 k( 207) = ( 0.4069767 0.2349681 0.6498471), wk = 0.0025510 k( 208) = ( 0.4186047 0.2416815 0.6498471), wk = 0.0025510 k( 209) = ( 0.4302326 0.2483949 0.6498471), wk = 0.0025510 k( 210) = ( 0.4418605 0.2551083 0.6498471), wk = 0.0025510 k( 211) = ( 0.4534884 0.2618216 0.6498471), wk = 0.0025510 k( 212) = ( 0.4651163 0.2685350 0.6498471), wk = 0.0025510 k( 213) = ( 0.4767442 0.2752484 0.6498471), wk = 0.0025510 k( 214) = ( 0.4883721 0.2819618 0.6498471), wk = 0.0025510 k( 215) = ( 0.5000000 0.2886751 0.6498471), wk = 0.0025510 k( 216) = ( 0.5000000 0.2886751 0.6498471), wk = 0.0025510 k( 217) = ( 0.4933333 0.3002221 0.6498471), wk = 0.0025510 k( 218) = ( 0.4866667 0.3117692 0.6498471), wk = 0.0025510 k( 219) = ( 0.4800000 0.3233162 0.6498471), wk = 0.0025510 k( 220) = ( 0.4733333 0.3348632 0.6498471), wk = 0.0025510 k( 221) = ( 0.4666667 0.3464102 0.6498471), wk = 0.0025510 k( 222) = ( 0.4600000 0.3579572 0.6498471), wk = 0.0025510 k( 223) = ( 0.4533333 0.3695042 0.6498471), wk = 0.0025510 k( 224) = ( 0.4466667 0.3810512 0.6498471), wk = 0.0025510 k( 225) = ( 0.4400000 0.3925982 0.6498471), wk = 0.0025510 k( 226) = ( 0.4333333 0.4041452 0.6498471), wk = 0.0025510 k( 227) = ( 0.4266667 0.4156922 0.6498471), wk = 0.0025510 k( 228) = ( 0.4200000 0.4272392 0.6498471), wk = 0.0025510 k( 229) = ( 0.4133333 0.4387862 0.6498471), wk = 0.0025510 k( 230) = ( 0.4066667 0.4503332 0.6498471), wk = 0.0025510 k( 231) = ( 0.4000000 0.4618802 0.6498471), wk = 0.0025510 k( 232) = ( 0.3933333 0.4734272 0.6498471), wk = 0.0025510 k( 233) = ( 0.3866667 0.4849742 0.6498471), wk = 0.0025510 k( 234) = ( 0.3800000 0.4965212 0.6498471), wk = 0.0025510 k( 235) = ( 0.3733333 0.5080682 0.6498471), wk = 0.0025510 k( 236) = ( 0.3666667 0.5196152 0.6498471), wk = 0.0025510 k( 237) = ( 0.3600000 0.5311622 0.6498471), wk = 0.0025510 k( 238) = ( 0.3533333 0.5427092 0.6498471), wk = 0.0025510 k( 239) = ( 0.3466667 0.5542563 0.6498471), wk = 0.0025510 k( 240) = ( 0.3400000 0.5658033 0.6498471), wk = 0.0025510 k( 241) = ( 0.3333333 0.5773503 0.6498471), wk = 0.0025510 k( 242) = ( 0.3333333 0.5773503 0.6498471), wk = 0.0025510 k( 243) = ( 0.3266667 0.5658033 0.6498471), wk = 0.0025510 k( 244) = ( 0.3200000 0.5542563 0.6498471), wk = 0.0025510 k( 245) = ( 0.3133333 0.5427092 0.6498471), wk = 0.0025510 k( 246) = ( 0.3066667 0.5311623 0.6498471), wk = 0.0025510 k( 247) = ( 0.3000000 0.5196152 0.6498471), wk = 0.0025510 k( 248) = ( 0.2933333 0.5080682 0.6498471), wk = 0.0025510 k( 249) = ( 0.2866667 0.4965212 0.6498471), wk = 0.0025510 k( 250) = ( 0.2800000 0.4849742 0.6498471), wk = 0.0025510 k( 251) = ( 0.2733333 0.4734272 0.6498471), wk = 0.0025510 k( 252) = ( 0.2666667 0.4618802 0.6498471), wk = 0.0025510 k( 253) = ( 0.2600000 0.4503332 0.6498471), wk = 0.0025510 k( 254) = ( 0.2533333 0.4387862 0.6498471), wk = 0.0025510 k( 255) = ( 0.2466667 0.4272392 0.6498471), wk = 0.0025510 k( 256) = ( 0.2400000 0.4156922 0.6498471), wk = 0.0025510 k( 257) = ( 0.2333333 0.4041452 0.6498471), wk = 0.0025510 k( 258) = ( 0.2266667 0.3925982 0.6498471), wk = 0.0025510 k( 259) = ( 0.2200000 0.3810512 0.6498471), wk = 0.0025510 k( 260) = ( 0.2133333 0.3695042 0.6498471), wk = 0.0025510 k( 261) = ( 0.2066667 0.3579572 0.6498471), wk = 0.0025510 k( 262) = ( 0.2000000 0.3464102 0.6498471), wk = 0.0025510 k( 263) = ( 0.1933333 0.3348632 0.6498471), wk = 0.0025510 k( 264) = ( 0.1866667 0.3233162 0.6498471), wk = 0.0025510 k( 265) = ( 0.1800000 0.3117691 0.6498471), wk = 0.0025510 k( 266) = ( 0.1733333 0.3002221 0.6498471), wk = 0.0025510 k( 267) = ( 0.1666667 0.2886751 0.6498471), wk = 0.0025510 k( 268) = ( 0.1600000 0.2771281 0.6498471), wk = 0.0025510 k( 269) = ( 0.1533333 0.2655811 0.6498471), wk = 0.0025510 k( 270) = ( 0.1466667 0.2540341 0.6498471), wk = 0.0025510 k( 271) = ( 0.1400000 0.2424871 0.6498471), wk = 0.0025510 k( 272) = ( 0.1333333 0.2309401 0.6498471), wk = 0.0025510 k( 273) = ( 0.1266667 0.2193931 0.6498471), wk = 0.0025510 k( 274) = ( 0.1200000 0.2078461 0.6498471), wk = 0.0025510 k( 275) = ( 0.1133333 0.1962991 0.6498471), wk = 0.0025510 k( 276) = ( 0.1066667 0.1847521 0.6498471), wk = 0.0025510 k( 277) = ( 0.1000000 0.1732051 0.6498471), wk = 0.0025510 k( 278) = ( 0.0933333 0.1616581 0.6498471), wk = 0.0025510 k( 279) = ( 0.0866667 0.1501111 0.6498471), wk = 0.0025510 k( 280) = ( 0.0800000 0.1385641 0.6498471), wk = 0.0025510 k( 281) = ( 0.0733333 0.1270171 0.6498471), wk = 0.0025510 k( 282) = ( 0.0666667 0.1154701 0.6498471), wk = 0.0025510 k( 283) = ( 0.0600000 0.1039230 0.6498471), wk = 0.0025510 k( 284) = ( 0.0533333 0.0923760 0.6498471), wk = 0.0025510 k( 285) = ( 0.0466667 0.0808290 0.6498471), wk = 0.0025510 k( 286) = ( 0.0400000 0.0692820 0.6498471), wk = 0.0025510 k( 287) = ( 0.0333333 0.0577350 0.6498471), wk = 0.0025510 k( 288) = ( 0.0266667 0.0461880 0.6498471), wk = 0.0025510 k( 289) = ( 0.0200000 0.0346410 0.6498471), wk = 0.0025510 k( 290) = ( 0.0133333 0.0230940 0.6498471), wk = 0.0025510 k( 291) = ( 0.0066667 0.0115470 0.6498471), wk = 0.0025510 k( 292) = ( 0.0000000 0.0000000 0.6498471), wk = 0.0025510 k( 293) = ( 0.5000000 0.2886751 0.6498471), wk = 0.0025510 k( 294) = ( 0.5000000 0.2886751 0.6365849), wk = 0.0025510 k( 295) = ( 0.5000000 0.2886751 0.6233227), wk = 0.0025510 k( 296) = ( 0.5000000 0.2886751 0.6100605), wk = 0.0025510 k( 297) = ( 0.5000000 0.2886751 0.5967983), wk = 0.0025510 k( 298) = ( 0.5000000 0.2886751 0.5835362), wk = 0.0025510 k( 299) = ( 0.5000000 0.2886751 0.5702740), wk = 0.0025510 k( 300) = ( 0.5000000 0.2886751 0.5570118), wk = 0.0025510 k( 301) = ( 0.5000000 0.2886751 0.5437496), wk = 0.0025510 k( 302) = ( 0.5000000 0.2886751 0.5304874), wk = 0.0025510 k( 303) = ( 0.5000000 0.2886751 0.5172252), wk = 0.0025510 k( 304) = ( 0.5000000 0.2886751 0.5039631), wk = 0.0025510 k( 305) = ( 0.5000000 0.2886751 0.4907009), wk = 0.0025510 k( 306) = ( 0.5000000 0.2886751 0.4774387), wk = 0.0025510 k( 307) = ( 0.5000000 0.2886751 0.4641765), wk = 0.0025510 k( 308) = ( 0.5000000 0.2886751 0.4509143), wk = 0.0025510 k( 309) = ( 0.5000000 0.2886751 0.4376521), wk = 0.0025510 k( 310) = ( 0.5000000 0.2886751 0.4243899), wk = 0.0025510 k( 311) = ( 0.5000000 0.2886751 0.4111278), wk = 0.0025510 k( 312) = ( 0.5000000 0.2886751 0.3978656), wk = 0.0025510 k( 313) = ( 0.5000000 0.2886751 0.3846034), wk = 0.0025510 k( 314) = ( 0.5000000 0.2886751 0.3713412), wk = 0.0025510 k( 315) = ( 0.5000000 0.2886751 0.3580790), wk = 0.0025510 k( 316) = ( 0.5000000 0.2886751 0.3448168), wk = 0.0025510 k( 317) = ( 0.5000000 0.2886751 0.3315546), wk = 0.0025510 k( 318) = ( 0.5000000 0.2886751 0.3182925), wk = 0.0025510 k( 319) = ( 0.5000000 0.2886751 0.3050303), wk = 0.0025510 k( 320) = ( 0.5000000 0.2886751 0.2917681), wk = 0.0025510 k( 321) = ( 0.5000000 0.2886751 0.2785059), wk = 0.0025510 k( 322) = ( 0.5000000 0.2886751 0.2652437), wk = 0.0025510 k( 323) = ( 0.5000000 0.2886751 0.2519815), wk = 0.0025510 k( 324) = ( 0.5000000 0.2886751 0.2387193), wk = 0.0025510 k( 325) = ( 0.5000000 0.2886751 0.2254572), wk = 0.0025510 k( 326) = ( 0.5000000 0.2886751 0.2121950), wk = 0.0025510 k( 327) = ( 0.5000000 0.2886751 0.1989328), wk = 0.0025510 k( 328) = ( 0.5000000 0.2886751 0.1856706), wk = 0.0025510 k( 329) = ( 0.5000000 0.2886751 0.1724084), wk = 0.0025510 k( 330) = ( 0.5000000 0.2886751 0.1591462), wk = 0.0025510 k( 331) = ( 0.5000000 0.2886751 0.1458840), wk = 0.0025510 k( 332) = ( 0.5000000 0.2886751 0.1326219), wk = 0.0025510 k( 333) = ( 0.5000000 0.2886751 0.1193597), wk = 0.0025510 k( 334) = ( 0.5000000 0.2886751 0.1060975), wk = 0.0025510 k( 335) = ( 0.5000000 0.2886751 0.0928353), wk = 0.0025510 k( 336) = ( 0.5000000 0.2886751 0.0795731), wk = 0.0025510 k( 337) = ( 0.5000000 0.2886751 0.0663109), wk = 0.0025510 k( 338) = ( 0.5000000 0.2886751 0.0530487), wk = 0.0025510 k( 339) = ( 0.5000000 0.2886751 0.0397866), wk = 0.0025510 k( 340) = ( 0.5000000 0.2886751 0.0265244), wk = 0.0025510 k( 341) = ( 0.5000000 0.2886751 0.0132622), wk = 0.0025510 k( 342) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025510 k( 343) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025510 k( 344) = ( 0.3333333 0.5773503 0.0132622), wk = 0.0025510 k( 345) = ( 0.3333333 0.5773503 0.0265244), wk = 0.0025510 k( 346) = ( 0.3333333 0.5773503 0.0397866), wk = 0.0025510 k( 347) = ( 0.3333333 0.5773503 0.0530487), wk = 0.0025510 k( 348) = ( 0.3333333 0.5773503 0.0663109), wk = 0.0025510 k( 349) = ( 0.3333333 0.5773503 0.0795731), wk = 0.0025510 k( 350) = ( 0.3333333 0.5773503 0.0928353), wk = 0.0025510 k( 351) = ( 0.3333333 0.5773503 0.1060975), wk = 0.0025510 k( 352) = ( 0.3333333 0.5773503 0.1193597), wk = 0.0025510 k( 353) = ( 0.3333333 0.5773503 0.1326219), wk = 0.0025510 k( 354) = ( 0.3333333 0.5773503 0.1458840), wk = 0.0025510 k( 355) = ( 0.3333333 0.5773503 0.1591462), wk = 0.0025510 k( 356) = ( 0.3333333 0.5773503 0.1724084), wk = 0.0025510 k( 357) = ( 0.3333333 0.5773503 0.1856706), wk = 0.0025510 k( 358) = ( 0.3333333 0.5773503 0.1989328), wk = 0.0025510 k( 359) = ( 0.3333333 0.5773503 0.2121950), wk = 0.0025510 k( 360) = ( 0.3333333 0.5773503 0.2254572), wk = 0.0025510 k( 361) = ( 0.3333333 0.5773503 0.2387193), wk = 0.0025510 k( 362) = ( 0.3333333 0.5773503 0.2519815), wk = 0.0025510 k( 363) = ( 0.3333333 0.5773503 0.2652437), wk = 0.0025510 k( 364) = ( 0.3333333 0.5773503 0.2785059), wk = 0.0025510 k( 365) = ( 0.3333333 0.5773503 0.2917681), wk = 0.0025510 k( 366) = ( 0.3333333 0.5773503 0.3050303), wk = 0.0025510 k( 367) = ( 0.3333333 0.5773503 0.3182925), wk = 0.0025510 k( 368) = ( 0.3333333 0.5773503 0.3315546), wk = 0.0025510 k( 369) = ( 0.3333333 0.5773503 0.3448168), wk = 0.0025510 k( 370) = ( 0.3333333 0.5773503 0.3580790), wk = 0.0025510 k( 371) = ( 0.3333333 0.5773503 0.3713412), wk = 0.0025510 k( 372) = ( 0.3333333 0.5773503 0.3846034), wk = 0.0025510 k( 373) = ( 0.3333333 0.5773503 0.3978656), wk = 0.0025510 k( 374) = ( 0.3333333 0.5773503 0.4111278), wk = 0.0025510 k( 375) = ( 0.3333333 0.5773503 0.4243899), wk = 0.0025510 k( 376) = ( 0.3333333 0.5773503 0.4376521), wk = 0.0025510 k( 377) = ( 0.3333333 0.5773503 0.4509143), wk = 0.0025510 k( 378) = ( 0.3333333 0.5773503 0.4641765), wk = 0.0025510 k( 379) = ( 0.3333333 0.5773503 0.4774387), wk = 0.0025510 k( 380) = ( 0.3333333 0.5773503 0.4907009), wk = 0.0025510 k( 381) = ( 0.3333333 0.5773503 0.5039631), wk = 0.0025510 k( 382) = ( 0.3333333 0.5773503 0.5172252), wk = 0.0025510 k( 383) = ( 0.3333333 0.5773503 0.5304874), wk = 0.0025510 k( 384) = ( 0.3333333 0.5773503 0.5437496), wk = 0.0025510 k( 385) = ( 0.3333333 0.5773503 0.5570118), wk = 0.0025510 k( 386) = ( 0.3333333 0.5773503 0.5702740), wk = 0.0025510 k( 387) = ( 0.3333333 0.5773503 0.5835362), wk = 0.0025510 k( 388) = ( 0.3333333 0.5773503 0.5967983), wk = 0.0025510 k( 389) = ( 0.3333333 0.5773503 0.6100605), wk = 0.0025510 k( 390) = ( 0.3333333 0.5773503 0.6233227), wk = 0.0025510 k( 391) = ( 0.3333333 0.5773503 0.6365849), wk = 0.0025510 k( 392) = ( 0.3333333 0.5773503 0.6498471), wk = 0.0025510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0116279 -0.0000000 0.0000000), wk = 0.0025510 k( 3) = ( 0.0232558 -0.0000000 0.0000000), wk = 0.0025510 k( 4) = ( 0.0348837 -0.0000000 0.0000000), wk = 0.0025510 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0025510 k( 6) = ( 0.0581395 -0.0000000 0.0000000), wk = 0.0025510 k( 7) = ( 0.0697674 -0.0000000 0.0000000), wk = 0.0025510 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0025510 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0025510 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0025510 k( 11) = ( 0.1162791 -0.0000000 0.0000000), wk = 0.0025510 k( 12) = ( 0.1279070 -0.0000000 -0.0000000), wk = 0.0025510 k( 13) = ( 0.1395349 -0.0000000 0.0000000), wk = 0.0025510 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0025510 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0025510 k( 16) = ( 0.1744186 -0.0000000 0.0000000), wk = 0.0025510 k( 17) = ( 0.1860465 -0.0000000 -0.0000000), wk = 0.0025510 k( 18) = ( 0.1976744 -0.0000000 0.0000000), wk = 0.0025510 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0025510 k( 20) = ( 0.2209302 -0.0000000 -0.0000000), wk = 0.0025510 k( 21) = ( 0.2325581 -0.0000000 0.0000000), wk = 0.0025510 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0025510 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0025510 k( 24) = ( 0.2674419 -0.0000000 -0.0000000), wk = 0.0025510 k( 25) = ( 0.2790698 -0.0000000 0.0000000), wk = 0.0025510 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0025510 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0025510 k( 28) = ( 0.3139535 -0.0000000 0.0000000), wk = 0.0025510 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0025510 k( 30) = ( 0.3372093 -0.0000000 -0.0000000), wk = 0.0025510 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0025510 k( 32) = ( 0.3604651 -0.0000000 0.0000000), wk = 0.0025510 k( 33) = ( 0.3720930 -0.0000000 -0.0000000), wk = 0.0025510 k( 34) = ( 0.3837209 -0.0000000 -0.0000000), wk = 0.0025510 k( 35) = ( 0.3953488 -0.0000000 0.0000000), wk = 0.0025510 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0025510 k( 37) = ( 0.4186047 -0.0000000 -0.0000000), wk = 0.0025510 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0025510 k( 39) = ( 0.4418605 -0.0000000 -0.0000000), wk = 0.0025510 k( 40) = ( 0.4534884 -0.0000000 0.0000000), wk = 0.0025510 k( 41) = ( 0.4651163 -0.0000000 0.0000000), wk = 0.0025510 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0025510 k( 43) = ( 0.4883721 -0.0000000 0.0000000), wk = 0.0025510 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025510 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025510 k( 46) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0025510 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0025510 k( 48) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0025510 k( 49) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0025510 k( 50) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0025510 k( 51) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0025510 k( 52) = ( 0.4533333 0.0933333 -0.0000000), wk = 0.0025510 k( 53) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0025510 k( 54) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0025510 k( 55) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0025510 k( 56) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0025510 k( 57) = ( 0.4200000 0.1600000 -0.0000000), wk = 0.0025510 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0025510 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0025510 k( 60) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0025510 k( 61) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0025510 k( 62) = ( 0.3866667 0.2266667 -0.0000000), wk = 0.0025510 k( 63) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0025510 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0025510 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0025510 k( 66) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0025510 k( 67) = ( 0.3533333 0.2933333 -0.0000000), wk = 0.0025510 k( 68) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0025510 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0025510 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025510 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025510 k( 72) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0025510 k( 73) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0025510 k( 74) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0025510 k( 75) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0025510 k( 76) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0025510 k( 77) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0025510 k( 78) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0025510 k( 79) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0025510 k( 80) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0025510 k( 81) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0025510 k( 82) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0025510 k( 83) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0025510 k( 84) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0025510 k( 85) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0025510 k( 86) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0025510 k( 87) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0025510 k( 88) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0025510 k( 89) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0025510 k( 90) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0025510 k( 91) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0025510 k( 92) = ( 0.1933333 0.1933333 -0.0000000), wk = 0.0025510 k( 93) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0025510 k( 94) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0025510 k( 95) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0025510 k( 96) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0025510 k( 97) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0025510 k( 98) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0025510 k( 99) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0025510 k( 100) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0025510 k( 101) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0025510 k( 102) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0025510 k( 103) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0025510 k( 104) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0025510 k( 105) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0025510 k( 106) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0025510 k( 107) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0025510 k( 108) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0025510 k( 109) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0025510 k( 110) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0025510 k( 111) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0025510 k( 112) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0025510 k( 113) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0025510 k( 114) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0025510 k( 115) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0025510 k( 116) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0025510 k( 117) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0025510 k( 118) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0025510 k( 119) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0025510 k( 120) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0025510 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 123) = ( 0.0000000 0.0000000 0.0102041), wk = 0.0025510 k( 124) = ( 0.0000000 0.0000000 0.0204082), wk = 0.0025510 k( 125) = ( 0.0000000 0.0000000 0.0306122), wk = 0.0025510 k( 126) = ( 0.0000000 0.0000000 0.0408163), wk = 0.0025510 k( 127) = ( 0.0000000 0.0000000 0.0510204), wk = 0.0025510 k( 128) = ( 0.0000000 0.0000000 0.0612245), wk = 0.0025510 k( 129) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0025510 k( 130) = ( 0.0000000 0.0000000 0.0816327), wk = 0.0025510 k( 131) = ( 0.0000000 0.0000000 0.0918367), wk = 0.0025510 k( 132) = ( 0.0000000 0.0000000 0.1020408), wk = 0.0025510 k( 133) = ( 0.0000000 0.0000000 0.1122449), wk = 0.0025510 k( 134) = ( 0.0000000 0.0000000 0.1224490), wk = 0.0025510 k( 135) = ( 0.0000000 0.0000000 0.1326531), wk = 0.0025510 k( 136) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0025510 k( 137) = ( 0.0000000 0.0000000 0.1530612), wk = 0.0025510 k( 138) = ( 0.0000000 0.0000000 0.1632653), wk = 0.0025510 k( 139) = ( 0.0000000 0.0000000 0.1734694), wk = 0.0025510 k( 140) = ( 0.0000000 0.0000000 0.1836735), wk = 0.0025510 k( 141) = ( 0.0000000 0.0000000 0.1938776), wk = 0.0025510 k( 142) = ( 0.0000000 0.0000000 0.2040816), wk = 0.0025510 k( 143) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0025510 k( 144) = ( 0.0000000 0.0000000 0.2244898), wk = 0.0025510 k( 145) = ( 0.0000000 0.0000000 0.2346939), wk = 0.0025510 k( 146) = ( 0.0000000 0.0000000 0.2448980), wk = 0.0025510 k( 147) = ( 0.0000000 0.0000000 0.2551020), wk = 0.0025510 k( 148) = ( 0.0000000 0.0000000 0.2653061), wk = 0.0025510 k( 149) = ( 0.0000000 0.0000000 0.2755102), wk = 0.0025510 k( 150) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0025510 k( 151) = ( 0.0000000 0.0000000 0.2959184), wk = 0.0025510 k( 152) = ( 0.0000000 0.0000000 0.3061224), wk = 0.0025510 k( 153) = ( 0.0000000 0.0000000 0.3163265), wk = 0.0025510 k( 154) = ( 0.0000000 0.0000000 0.3265306), wk = 0.0025510 k( 155) = ( 0.0000000 0.0000000 0.3367347), wk = 0.0025510 k( 156) = ( 0.0000000 0.0000000 0.3469388), wk = 0.0025510 k( 157) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0025510 k( 158) = ( 0.0000000 0.0000000 0.3673469), wk = 0.0025510 k( 159) = ( 0.0000000 0.0000000 0.3775510), wk = 0.0025510 k( 160) = ( 0.0000000 0.0000000 0.3877551), wk = 0.0025510 k( 161) = ( 0.0000000 0.0000000 0.3979592), wk = 0.0025510 k( 162) = ( 0.0000000 0.0000000 0.4081633), wk = 0.0025510 k( 163) = ( 0.0000000 0.0000000 0.4183674), wk = 0.0025510 k( 164) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0025510 k( 165) = ( 0.0000000 0.0000000 0.4387755), wk = 0.0025510 k( 166) = ( 0.0000000 0.0000000 0.4489796), wk = 0.0025510 k( 167) = ( 0.0000000 0.0000000 0.4591837), wk = 0.0025510 k( 168) = ( 0.0000000 0.0000000 0.4693878), wk = 0.0025510 k( 169) = ( 0.0000000 0.0000000 0.4795918), wk = 0.0025510 k( 170) = ( 0.0000000 0.0000000 0.4897959), wk = 0.0025510 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 173) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0025510 k( 174) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0025510 k( 175) = ( 0.0348837 -0.0000000 0.5000000), wk = 0.0025510 k( 176) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0025510 k( 177) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0025510 k( 178) = ( 0.0697674 -0.0000000 0.5000000), wk = 0.0025510 k( 179) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0025510 k( 180) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0025510 k( 181) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0025510 k( 182) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0025510 k( 183) = ( 0.1279070 -0.0000000 0.5000000), wk = 0.0025510 k( 184) = ( 0.1395349 -0.0000000 0.5000000), wk = 0.0025510 k( 185) = ( 0.1511628 -0.0000000 0.5000000), wk = 0.0025510 k( 186) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0025510 k( 187) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0025510 k( 188) = ( 0.1860465 -0.0000000 0.5000000), wk = 0.0025510 k( 189) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0025510 k( 190) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0025510 k( 191) = ( 0.2209302 -0.0000000 0.5000000), wk = 0.0025510 k( 192) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0025510 k( 193) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0025510 k( 194) = ( 0.2558140 -0.0000000 0.5000000), wk = 0.0025510 k( 195) = ( 0.2674419 -0.0000000 0.5000000), wk = 0.0025510 k( 196) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0025510 k( 197) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0025510 k( 198) = ( 0.3023256 -0.0000000 0.5000000), wk = 0.0025510 k( 199) = ( 0.3139535 -0.0000000 0.5000000), wk = 0.0025510 k( 200) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0025510 k( 201) = ( 0.3372093 -0.0000000 0.5000000), wk = 0.0025510 k( 202) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0025510 k( 203) = ( 0.3604651 -0.0000000 0.5000000), wk = 0.0025510 k( 204) = ( 0.3720930 -0.0000000 0.5000000), wk = 0.0025510 k( 205) = ( 0.3837209 -0.0000000 0.5000000), wk = 0.0025510 k( 206) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0025510 k( 207) = ( 0.4069767 -0.0000000 0.5000000), wk = 0.0025510 k( 208) = ( 0.4186047 -0.0000000 0.5000000), wk = 0.0025510 k( 209) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0025510 k( 210) = ( 0.4418605 -0.0000000 0.5000000), wk = 0.0025510 k( 211) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0025510 k( 212) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0025510 k( 213) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0025510 k( 214) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0025510 k( 215) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0025510 k( 216) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0025510 k( 217) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0025510 k( 218) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0025510 k( 219) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0025510 k( 220) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0025510 k( 221) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0025510 k( 222) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0025510 k( 223) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0025510 k( 224) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0025510 k( 225) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0025510 k( 226) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0025510 k( 227) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0025510 k( 228) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0025510 k( 229) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0025510 k( 230) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0025510 k( 231) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0025510 k( 232) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0025510 k( 233) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0025510 k( 234) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0025510 k( 235) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0025510 k( 236) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0025510 k( 237) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0025510 k( 238) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0025510 k( 239) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0025510 k( 240) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0025510 k( 241) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025510 k( 242) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025510 k( 243) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0025510 k( 244) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0025510 k( 245) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0025510 k( 246) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0025510 k( 247) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0025510 k( 248) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0025510 k( 249) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0025510 k( 250) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0025510 k( 251) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0025510 k( 252) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0025510 k( 253) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0025510 k( 254) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0025510 k( 255) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0025510 k( 256) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0025510 k( 257) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0025510 k( 258) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0025510 k( 259) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0025510 k( 260) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0025510 k( 261) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0025510 k( 262) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0025510 k( 263) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0025510 k( 264) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0025510 k( 265) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0025510 k( 266) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0025510 k( 267) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0025510 k( 268) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0025510 k( 269) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0025510 k( 270) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0025510 k( 271) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0025510 k( 272) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0025510 k( 273) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0025510 k( 274) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0025510 k( 275) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0025510 k( 276) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0025510 k( 277) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0025510 k( 278) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0025510 k( 279) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0025510 k( 280) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0025510 k( 281) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0025510 k( 282) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0025510 k( 283) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0025510 k( 284) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0025510 k( 285) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0025510 k( 286) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0025510 k( 287) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0025510 k( 288) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0025510 k( 289) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0025510 k( 290) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0025510 k( 291) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0025510 k( 292) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 293) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0025510 k( 294) = ( 0.5000000 -0.0000000 0.4897959), wk = 0.0025510 k( 295) = ( 0.5000000 -0.0000000 0.4795918), wk = 0.0025510 k( 296) = ( 0.5000000 -0.0000000 0.4693878), wk = 0.0025510 k( 297) = ( 0.5000000 -0.0000000 0.4591837), wk = 0.0025510 k( 298) = ( 0.5000000 -0.0000000 0.4489796), wk = 0.0025510 k( 299) = ( 0.5000000 -0.0000000 0.4387755), wk = 0.0025510 k( 300) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0025510 k( 301) = ( 0.5000000 -0.0000000 0.4183674), wk = 0.0025510 k( 302) = ( 0.5000000 -0.0000000 0.4081633), wk = 0.0025510 k( 303) = ( 0.5000000 -0.0000000 0.3979592), wk = 0.0025510 k( 304) = ( 0.5000000 -0.0000000 0.3877551), wk = 0.0025510 k( 305) = ( 0.5000000 -0.0000000 0.3775510), wk = 0.0025510 k( 306) = ( 0.5000000 -0.0000000 0.3673469), wk = 0.0025510 k( 307) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0025510 k( 308) = ( 0.5000000 -0.0000000 0.3469388), wk = 0.0025510 k( 309) = ( 0.5000000 -0.0000000 0.3367347), wk = 0.0025510 k( 310) = ( 0.5000000 -0.0000000 0.3265306), wk = 0.0025510 k( 311) = ( 0.5000000 -0.0000000 0.3163265), wk = 0.0025510 k( 312) = ( 0.5000000 -0.0000000 0.3061224), wk = 0.0025510 k( 313) = ( 0.5000000 -0.0000000 0.2959184), wk = 0.0025510 k( 314) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0025510 k( 315) = ( 0.5000000 -0.0000000 0.2755102), wk = 0.0025510 k( 316) = ( 0.5000000 -0.0000000 0.2653061), wk = 0.0025510 k( 317) = ( 0.5000000 -0.0000000 0.2551020), wk = 0.0025510 k( 318) = ( 0.5000000 -0.0000000 0.2448980), wk = 0.0025510 k( 319) = ( 0.5000000 -0.0000000 0.2346939), wk = 0.0025510 k( 320) = ( 0.5000000 -0.0000000 0.2244898), wk = 0.0025510 k( 321) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0025510 k( 322) = ( 0.5000000 -0.0000000 0.2040816), wk = 0.0025510 k( 323) = ( 0.5000000 -0.0000000 0.1938776), wk = 0.0025510 k( 324) = ( 0.5000000 -0.0000000 0.1836735), wk = 0.0025510 k( 325) = ( 0.5000000 -0.0000000 0.1734694), wk = 0.0025510 k( 326) = ( 0.5000000 -0.0000000 0.1632653), wk = 0.0025510 k( 327) = ( 0.5000000 -0.0000000 0.1530612), wk = 0.0025510 k( 328) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0025510 k( 329) = ( 0.5000000 -0.0000000 0.1326531), wk = 0.0025510 k( 330) = ( 0.5000000 -0.0000000 0.1224490), wk = 0.0025510 k( 331) = ( 0.5000000 -0.0000000 0.1122449), wk = 0.0025510 k( 332) = ( 0.5000000 -0.0000000 0.1020408), wk = 0.0025510 k( 333) = ( 0.5000000 -0.0000000 0.0918367), wk = 0.0025510 k( 334) = ( 0.5000000 -0.0000000 0.0816327), wk = 0.0025510 k( 335) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0025510 k( 336) = ( 0.5000000 -0.0000000 0.0612245), wk = 0.0025510 k( 337) = ( 0.5000000 -0.0000000 0.0510204), wk = 0.0025510 k( 338) = ( 0.5000000 -0.0000000 0.0408163), wk = 0.0025510 k( 339) = ( 0.5000000 -0.0000000 0.0306122), wk = 0.0025510 k( 340) = ( 0.5000000 -0.0000000 0.0204082), wk = 0.0025510 k( 341) = ( 0.5000000 -0.0000000 0.0102041), wk = 0.0025510 k( 342) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025510 k( 343) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025510 k( 344) = ( 0.3333333 0.3333333 0.0102041), wk = 0.0025510 k( 345) = ( 0.3333333 0.3333333 0.0204082), wk = 0.0025510 k( 346) = ( 0.3333333 0.3333333 0.0306122), wk = 0.0025510 k( 347) = ( 0.3333333 0.3333333 0.0408163), wk = 0.0025510 k( 348) = ( 0.3333333 0.3333333 0.0510204), wk = 0.0025510 k( 349) = ( 0.3333333 0.3333333 0.0612245), wk = 0.0025510 k( 350) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0025510 k( 351) = ( 0.3333333 0.3333333 0.0816327), wk = 0.0025510 k( 352) = ( 0.3333333 0.3333333 0.0918367), wk = 0.0025510 k( 353) = ( 0.3333333 0.3333333 0.1020408), wk = 0.0025510 k( 354) = ( 0.3333333 0.3333333 0.1122449), wk = 0.0025510 k( 355) = ( 0.3333333 0.3333333 0.1224490), wk = 0.0025510 k( 356) = ( 0.3333333 0.3333333 0.1326531), wk = 0.0025510 k( 357) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0025510 k( 358) = ( 0.3333333 0.3333333 0.1530612), wk = 0.0025510 k( 359) = ( 0.3333333 0.3333333 0.1632653), wk = 0.0025510 k( 360) = ( 0.3333333 0.3333333 0.1734694), wk = 0.0025510 k( 361) = ( 0.3333333 0.3333333 0.1836735), wk = 0.0025510 k( 362) = ( 0.3333333 0.3333333 0.1938776), wk = 0.0025510 k( 363) = ( 0.3333333 0.3333333 0.2040816), wk = 0.0025510 k( 364) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0025510 k( 365) = ( 0.3333333 0.3333333 0.2244898), wk = 0.0025510 k( 366) = ( 0.3333333 0.3333333 0.2346939), wk = 0.0025510 k( 367) = ( 0.3333333 0.3333333 0.2448980), wk = 0.0025510 k( 368) = ( 0.3333333 0.3333333 0.2551020), wk = 0.0025510 k( 369) = ( 0.3333333 0.3333333 0.2653061), wk = 0.0025510 k( 370) = ( 0.3333333 0.3333333 0.2755102), wk = 0.0025510 k( 371) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0025510 k( 372) = ( 0.3333333 0.3333333 0.2959184), wk = 0.0025510 k( 373) = ( 0.3333333 0.3333333 0.3061224), wk = 0.0025510 k( 374) = ( 0.3333333 0.3333333 0.3163265), wk = 0.0025510 k( 375) = ( 0.3333333 0.3333333 0.3265306), wk = 0.0025510 k( 376) = ( 0.3333333 0.3333333 0.3367347), wk = 0.0025510 k( 377) = ( 0.3333333 0.3333333 0.3469388), wk = 0.0025510 k( 378) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0025510 k( 379) = ( 0.3333333 0.3333333 0.3673469), wk = 0.0025510 k( 380) = ( 0.3333333 0.3333333 0.3775510), wk = 0.0025510 k( 381) = ( 0.3333333 0.3333333 0.3877551), wk = 0.0025510 k( 382) = ( 0.3333333 0.3333333 0.3979592), wk = 0.0025510 k( 383) = ( 0.3333333 0.3333333 0.4081633), wk = 0.0025510 k( 384) = ( 0.3333333 0.3333333 0.4183674), wk = 0.0025510 k( 385) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0025510 k( 386) = ( 0.3333333 0.3333333 0.4387755), wk = 0.0025510 k( 387) = ( 0.3333333 0.3333333 0.4489796), wk = 0.0025510 k( 388) = ( 0.3333333 0.3333333 0.4591837), wk = 0.0025510 k( 389) = ( 0.3333333 0.3333333 0.4693878), wk = 0.0025510 k( 390) = ( 0.3333333 0.3333333 0.4795918), wk = 0.0025510 k( 391) = ( 0.3333333 0.3333333 0.4897959), wk = 0.0025510 k( 392) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025510 Dense grid: 26745 G-vectors FFT dimensions: ( 45, 45, 36) Smooth grid: 14127 G-vectors FFT dimensions: ( 36, 36, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 104, 34) NL pseudopotentials 0.08 Mb ( 52, 102) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 744) G-vector shells 0.00 Mb ( 331) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 104, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.11 Mb ( 102, 2, 34) The potential is recalculated from file : ./ZnI2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.4 secs Computing kpt #: 10 total cpu time spent up to now is 4.6 secs Computing kpt #: 11 total cpu time spent up to now is 4.8 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.2 secs Computing kpt #: 14 total cpu time spent up to now is 5.4 secs Computing kpt #: 15 total cpu time spent up to now is 5.6 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 5.9 secs Computing kpt #: 18 total cpu time spent up to now is 6.1 secs Computing kpt #: 19 total cpu time spent up to now is 6.3 secs Computing kpt #: 20 total cpu time spent up to now is 6.4 secs Computing kpt #: 21 total cpu time spent up to now is 6.6 secs Computing kpt #: 22 total cpu time spent up to now is 6.8 secs Computing kpt #: 23 total cpu time spent up to now is 6.9 secs Computing kpt #: 24 total cpu time spent up to now is 7.1 secs Computing kpt #: 25 total cpu time spent up to now is 7.2 secs Computing kpt #: 26 total cpu time spent up to now is 7.4 secs Computing kpt #: 27 total cpu time spent up to now is 7.5 secs Computing kpt #: 28 total cpu time spent up to now is 7.7 secs Computing kpt #: 29 total cpu time spent up to now is 7.8 secs Computing kpt #: 30 total cpu time spent up to now is 8.0 secs Computing kpt #: 31 total cpu time spent up to now is 8.1 secs Computing kpt #: 32 total cpu time spent up to now is 8.3 secs Computing kpt #: 33 total cpu time spent up to now is 8.4 secs Computing kpt #: 34 total cpu time spent up to now is 8.6 secs Computing kpt #: 35 total cpu time spent up to now is 8.8 secs Computing kpt #: 36 total cpu time spent up to now is 8.9 secs Computing kpt #: 37 total cpu time spent up to now is 9.1 secs Computing kpt #: 38 total cpu time spent up to now is 9.3 secs Computing kpt #: 39 total cpu time spent up to now is 9.4 secs Computing kpt #: 40 total cpu time spent up to now is 9.6 secs Computing kpt #: 41 total cpu time spent up to now is 9.9 secs Computing kpt #: 42 total cpu time spent up to now is 10.0 secs Computing kpt #: 43 total cpu time spent up to now is 10.2 secs Computing kpt #: 44 total cpu time spent up to now is 10.4 secs Computing kpt #: 45 total cpu time spent up to now is 10.5 secs Computing kpt #: 46 total cpu time spent up to now is 10.7 secs Computing kpt #: 47 total cpu time spent up to now is 10.9 secs Computing kpt #: 48 total cpu time spent up to now is 11.0 secs Computing kpt #: 49 total cpu time spent up to now is 11.2 secs Computing kpt #: 50 total cpu time spent up to now is 11.3 secs Computing kpt #: 51 total cpu time spent up to now is 11.5 secs Computing kpt #: 52 total cpu time spent up to now is 11.6 secs Computing kpt #: 53 total cpu time spent up to now is 11.8 secs Computing kpt #: 54 total cpu time spent up to now is 11.9 secs Computing kpt #: 55 total cpu time spent up to now is 12.1 secs Computing kpt #: 56 total cpu time spent up to now is 12.2 secs Computing kpt #: 57 total cpu time spent up to now is 12.3 secs Computing kpt #: 58 total cpu time spent up to now is 12.5 secs Computing kpt #: 59 total cpu time spent up to now is 12.6 secs Computing kpt #: 60 total cpu time spent up to now is 12.7 secs Computing kpt #: 61 total cpu time spent up to now is 12.9 secs Computing kpt #: 62 total cpu time spent up to now is 13.0 secs Computing kpt #: 63 total cpu time spent up to now is 13.1 secs Computing kpt #: 64 total cpu time spent up to now is 13.3 secs Computing kpt #: 65 total cpu time spent up to now is 13.4 secs Computing kpt #: 66 total cpu time spent up to now is 13.5 secs Computing kpt #: 67 total cpu time spent up to now is 13.7 secs Computing kpt #: 68 total cpu time spent up to now is 13.8 secs Computing kpt #: 69 total cpu time spent up to now is 13.9 secs Computing kpt #: 70 total cpu time spent up to now is 14.1 secs Computing kpt #: 71 total cpu time spent up to now is 14.2 secs Computing kpt #: 72 total cpu time spent up to now is 14.3 secs Computing kpt #: 73 total cpu time spent up to now is 14.5 secs Computing kpt #: 74 total cpu time spent up to now is 14.6 secs Computing kpt #: 75 total cpu time spent up to now is 14.7 secs Computing kpt #: 76 total cpu time spent up to now is 14.9 secs Computing kpt #: 77 total cpu time spent up to now is 15.0 secs Computing kpt #: 78 total cpu time spent up to now is 15.1 secs Computing kpt #: 79 total cpu time spent up to now is 15.3 secs Computing kpt #: 80 total cpu time spent up to now is 15.4 secs Computing kpt #: 81 total cpu time spent up to now is 15.5 secs Computing kpt #: 82 total cpu time spent up to now is 15.7 secs Computing kpt #: 83 total cpu time spent up to now is 15.8 secs Computing kpt #: 84 total cpu time spent up to now is 15.9 secs Computing kpt #: 85 total cpu time spent up to now is 16.1 secs Computing kpt #: 86 total cpu time spent up to now is 16.2 secs Computing kpt #: 87 total cpu time spent up to now is 16.3 secs Computing kpt #: 88 total cpu time spent up to now is 16.5 secs Computing kpt #: 89 total cpu time spent up to now is 16.6 secs Computing kpt #: 90 total cpu time spent up to now is 16.8 secs Computing kpt #: 91 total cpu time spent up to now is 16.9 secs Computing kpt #: 92 total cpu time spent up to now is 17.1 secs Computing kpt #: 93 total cpu time spent up to now is 17.3 secs Computing kpt #: 94 total cpu time spent up to now is 17.4 secs Computing kpt #: 95 total cpu time spent up to now is 17.6 secs Computing kpt #: 96 total cpu time spent up to now is 17.7 secs Computing kpt #: 97 total cpu time spent up to now is 17.9 secs Computing kpt #: 98 total cpu time spent up to now is 18.1 secs Computing kpt #: 99 total cpu time spent up to now is 18.2 secs Computing kpt #: 100 total cpu time spent up to now is 18.4 secs Computing kpt #: 101 total cpu time spent up to now is 18.5 secs Computing kpt #: 102 total cpu time spent up to now is 18.7 secs Computing kpt #: 103 total cpu time spent up to now is 18.9 secs Computing kpt #: 104 total cpu time spent up to now is 19.1 secs Computing kpt #: 105 total cpu time spent up to now is 19.2 secs Computing kpt #: 106 total cpu time spent up to now is 19.4 secs Computing kpt #: 107 total cpu time spent up to now is 19.6 secs Computing kpt #: 108 total cpu time spent up to now is 19.8 secs Computing kpt #: 109 total cpu time spent up to now is 20.0 secs Computing kpt #: 110 total cpu time spent up to now is 20.3 secs Computing kpt #: 111 total cpu time spent up to now is 20.5 secs Computing kpt #: 112 total cpu time spent up to now is 20.7 secs Computing kpt #: 113 total cpu time spent up to now is 20.9 secs Computing kpt #: 114 total cpu time spent up to now is 21.2 secs Computing kpt #: 115 total cpu time spent up to now is 21.4 secs Computing kpt #: 116 total cpu time spent up to now is 21.6 secs Computing kpt #: 117 total cpu time spent up to now is 21.9 secs Computing kpt #: 118 total cpu time spent up to now is 22.1 secs Computing kpt #: 119 total cpu time spent up to now is 22.3 secs Computing kpt #: 120 total cpu time spent up to now is 22.6 secs Computing kpt #: 121 total cpu time spent up to now is 22.8 secs Computing kpt #: 122 total cpu time spent up to now is 23.0 secs Computing kpt #: 123 total cpu time spent up to now is 23.2 secs Computing kpt #: 124 total cpu time spent up to now is 23.5 secs Computing kpt #: 125 total cpu time spent up to now is 23.7 secs Computing kpt #: 126 total cpu time spent up to now is 23.9 secs Computing kpt #: 127 total cpu time spent up to now is 24.1 secs Computing kpt #: 128 total cpu time spent up to now is 24.3 secs Computing kpt #: 129 total cpu time spent up to now is 24.5 secs Computing kpt #: 130 total cpu time spent up to now is 24.7 secs Computing kpt #: 131 total cpu time spent up to now is 24.9 secs Computing kpt #: 132 total cpu time spent up to now is 25.1 secs Computing kpt #: 133 total cpu time spent up to now is 25.3 secs Computing kpt #: 134 total cpu time spent up to now is 25.5 secs Computing kpt #: 135 total cpu time spent up to now is 25.6 secs Computing kpt #: 136 total cpu time spent up to now is 25.8 secs Computing kpt #: 137 total cpu time spent up to now is 26.0 secs Computing kpt #: 138 total cpu time spent up to now is 26.1 secs Computing kpt #: 139 total cpu time spent up to now is 26.3 secs Computing kpt #: 140 total cpu time spent up to now is 26.5 secs Computing kpt #: 141 total cpu time spent up to now is 26.6 secs Computing kpt #: 142 total cpu time spent up to now is 26.8 secs Computing kpt #: 143 total cpu time spent up to now is 27.0 secs Computing kpt #: 144 total cpu time spent up to now is 27.1 secs Computing kpt #: 145 total cpu time spent up to now is 27.3 secs Computing kpt #: 146 total cpu time spent up to now is 27.4 secs Computing kpt #: 147 total cpu time spent up to now is 27.6 secs Computing kpt #: 148 total cpu time spent up to now is 27.7 secs Computing kpt #: 149 total cpu time spent up to now is 27.9 secs Computing kpt #: 150 total cpu time spent up to now is 28.0 secs Computing kpt #: 151 total cpu time spent up to now is 28.2 secs Computing kpt #: 152 total cpu time spent up to now is 28.3 secs Computing kpt #: 153 total cpu time spent up to now is 28.5 secs Computing kpt #: 154 total cpu time spent up to now is 28.6 secs Computing kpt #: 155 total cpu time spent up to now is 28.8 secs Computing kpt #: 156 total cpu time spent up to now is 29.0 secs Computing kpt #: 157 total cpu time spent up to now is 29.1 secs Computing kpt #: 158 total cpu time spent up to now is 29.2 secs Computing kpt #: 159 total cpu time spent up to now is 29.4 secs Computing kpt #: 160 total cpu time spent up to now is 29.5 secs Computing kpt #: 161 total cpu time spent up to now is 29.7 secs Computing kpt #: 162 total cpu time spent up to now is 29.8 secs Computing kpt #: 163 total cpu time spent up to now is 30.0 secs Computing kpt #: 164 total cpu time spent up to now is 30.1 secs Computing kpt #: 165 total cpu time spent up to now is 30.3 secs Computing kpt #: 166 total cpu time spent up to now is 30.4 secs Computing kpt #: 167 total cpu time spent up to now is 30.5 secs Computing kpt #: 168 total cpu time spent up to now is 30.6 secs Computing kpt #: 169 total cpu time spent up to now is 30.8 secs Computing kpt #: 170 total cpu time spent up to now is 30.9 secs Computing kpt #: 171 total cpu time spent up to now is 31.0 secs Computing kpt #: 172 total cpu time spent up to now is 31.1 secs Computing kpt #: 173 total cpu time spent up to now is 31.3 secs Computing kpt #: 174 total cpu time spent up to now is 31.4 secs Computing kpt #: 175 total cpu time spent up to now is 31.6 secs Computing kpt #: 176 total cpu time spent up to now is 31.7 secs Computing kpt #: 177 total cpu time spent up to now is 31.8 secs Computing kpt #: 178 total cpu time spent up to now is 32.0 secs Computing kpt #: 179 total cpu time spent up to now is 32.1 secs Computing kpt #: 180 total cpu time spent up to now is 32.2 secs Computing kpt #: 181 total cpu time spent up to now is 32.4 secs Computing kpt #: 182 total cpu time spent up to now is 32.5 secs Computing kpt #: 183 total cpu time spent up to now is 32.6 secs Computing kpt #: 184 total cpu time spent up to now is 32.8 secs Computing kpt #: 185 total cpu time spent up to now is 32.9 secs Computing kpt #: 186 total cpu time spent up to now is 33.0 secs Computing kpt #: 187 total cpu time spent up to now is 33.1 secs Computing kpt #: 188 total cpu time spent up to now is 33.3 secs Computing kpt #: 189 total cpu time spent up to now is 33.4 secs Computing kpt #: 190 total cpu time spent up to now is 33.5 secs Computing kpt #: 191 total cpu time spent up to now is 33.7 secs Computing kpt #: 192 total cpu time spent up to now is 33.8 secs Computing kpt #: 193 total cpu time spent up to now is 33.9 secs Computing kpt #: 194 total cpu time spent up to now is 34.0 secs Computing kpt #: 195 total cpu time spent up to now is 34.2 secs Computing kpt #: 196 total cpu time spent up to now is 34.3 secs Computing kpt #: 197 total cpu time spent up to now is 34.4 secs Computing kpt #: 198 total cpu time spent up to now is 34.5 secs Computing kpt #: 199 total cpu time spent up to now is 34.7 secs Computing kpt #: 200 total cpu time spent up to now is 34.8 secs Computing kpt #: 201 total cpu time spent up to now is 34.9 secs Computing kpt #: 202 total cpu time spent up to now is 35.1 secs Computing kpt #: 203 total cpu time spent up to now is 35.2 secs Computing kpt #: 204 total cpu time spent up to now is 35.3 secs Computing kpt #: 205 total cpu time spent up to now is 35.5 secs Computing kpt #: 206 total cpu time spent up to now is 35.6 secs Computing kpt #: 207 total cpu time spent up to now is 35.7 secs Computing kpt #: 208 total cpu time spent up to now is 35.9 secs Computing kpt #: 209 total cpu time spent up to now is 36.0 secs Computing kpt #: 210 total cpu time spent up to now is 36.2 secs Computing kpt #: 211 total cpu time spent up to now is 36.4 secs Computing kpt #: 212 total cpu time spent up to now is 36.5 secs Computing kpt #: 213 total cpu time spent up to now is 36.6 secs Computing kpt #: 214 total cpu time spent up to now is 36.8 secs Computing kpt #: 215 total cpu time spent up to now is 36.9 secs Computing kpt #: 216 total cpu time spent up to now is 37.1 secs Computing kpt #: 217 total cpu time spent up to now is 37.2 secs Computing kpt #: 218 total cpu time spent up to now is 37.4 secs Computing kpt #: 219 total cpu time spent up to now is 37.5 secs Computing kpt #: 220 total cpu time spent up to now is 37.6 secs Computing kpt #: 221 total cpu time spent up to now is 37.8 secs Computing kpt #: 222 total cpu time spent up to now is 37.9 secs Computing kpt #: 223 total cpu time spent up to now is 38.1 secs Computing kpt #: 224 total cpu time spent up to now is 38.3 secs Computing kpt #: 225 total cpu time spent up to now is 38.4 secs Computing kpt #: 226 total cpu time spent up to now is 38.5 secs Computing kpt #: 227 total cpu time spent up to now is 38.7 secs Computing kpt #: 228 total cpu time spent up to now is 38.8 secs Computing kpt #: 229 total cpu time spent up to now is 38.9 secs Computing kpt #: 230 total cpu time spent up to now is 39.1 secs Computing kpt #: 231 total cpu time spent up to now is 39.2 secs Computing kpt #: 232 total cpu time spent up to now is 39.3 secs Computing kpt #: 233 total cpu time spent up to now is 39.5 secs Computing kpt #: 234 total cpu time spent up to now is 39.6 secs Computing kpt #: 235 total cpu time spent up to now is 39.7 secs Computing kpt #: 236 total cpu time spent up to now is 40.0 secs Computing kpt #: 237 total cpu time spent up to now is 40.1 secs Computing kpt #: 238 total cpu time spent up to now is 40.2 secs Computing kpt #: 239 total cpu time spent up to now is 40.4 secs Computing kpt #: 240 total cpu time spent up to now is 40.5 secs Computing kpt #: 241 total cpu time spent up to now is 40.6 secs Computing kpt #: 242 total cpu time spent up to now is 40.8 secs Computing kpt #: 243 total cpu time spent up to now is 40.9 secs Computing kpt #: 244 total cpu time spent up to now is 41.0 secs Computing kpt #: 245 total cpu time spent up to now is 41.2 secs Computing kpt #: 246 total cpu time spent up to now is 41.3 secs Computing kpt #: 247 total cpu time spent up to now is 41.5 secs Computing kpt #: 248 total cpu time spent up to now is 41.6 secs Computing kpt #: 249 total cpu time spent up to now is 41.7 secs Computing kpt #: 250 total cpu time spent up to now is 41.9 secs Computing kpt #: 251 total cpu time spent up to now is 42.0 secs Computing kpt #: 252 total cpu time spent up to now is 42.1 secs Computing kpt #: 253 total cpu time spent up to now is 42.3 secs Computing kpt #: 254 total cpu time spent up to now is 42.4 secs Computing kpt #: 255 total cpu time spent up to now is 42.5 secs Computing kpt #: 256 total cpu time spent up to now is 42.6 secs Computing kpt #: 257 total cpu time spent up to now is 42.8 secs Computing kpt #: 258 total cpu time spent up to now is 42.9 secs Computing kpt #: 259 total cpu time spent up to now is 43.0 secs Computing kpt #: 260 total cpu time spent up to now is 43.1 secs Computing kpt #: 261 total cpu time spent up to now is 43.3 secs Computing kpt #: 262 total cpu time spent up to now is 43.4 secs Computing kpt #: 263 total cpu time spent up to now is 43.5 secs Computing kpt #: 264 total cpu time spent up to now is 43.7 secs Computing kpt #: 265 total cpu time spent up to now is 43.8 secs Computing kpt #: 266 total cpu time spent up to now is 43.9 secs Computing kpt #: 267 total cpu time spent up to now is 44.0 secs Computing kpt #: 268 total cpu time spent up to now is 44.2 secs Computing kpt #: 269 total cpu time spent up to now is 44.3 secs Computing kpt #: 270 total cpu time spent up to now is 44.4 secs Computing kpt #: 271 total cpu time spent up to now is 44.5 secs Computing kpt #: 272 total cpu time spent up to now is 44.7 secs Computing kpt #: 273 total cpu time spent up to now is 44.9 secs Computing kpt #: 274 total cpu time spent up to now is 45.0 secs Computing kpt #: 275 total cpu time spent up to now is 45.1 secs Computing kpt #: 276 total cpu time spent up to now is 45.3 secs Computing kpt #: 277 total cpu time spent up to now is 45.4 secs Computing kpt #: 278 total cpu time spent up to now is 45.5 secs Computing kpt #: 279 total cpu time spent up to now is 45.7 secs Computing kpt #: 280 total cpu time spent up to now is 45.8 secs Computing kpt #: 281 total cpu time spent up to now is 45.9 secs Computing kpt #: 282 total cpu time spent up to now is 46.0 secs Computing kpt #: 283 total cpu time spent up to now is 46.2 secs Computing kpt #: 284 total cpu time spent up to now is 46.3 secs Computing kpt #: 285 total cpu time spent up to now is 46.4 secs Computing kpt #: 286 total cpu time spent up to now is 46.6 secs Computing kpt #: 287 total cpu time spent up to now is 46.7 secs Computing kpt #: 288 total cpu time spent up to now is 46.8 secs Computing kpt #: 289 total cpu time spent up to now is 47.0 secs Computing kpt #: 290 total cpu time spent up to now is 47.1 secs Computing kpt #: 291 total cpu time spent up to now is 47.3 secs Computing kpt #: 292 total cpu time spent up to now is 47.4 secs Computing kpt #: 293 total cpu time spent up to now is 47.5 secs Computing kpt #: 294 total cpu time spent up to now is 47.7 secs Computing kpt #: 295 total cpu time spent up to now is 47.8 secs Computing kpt #: 296 total cpu time spent up to now is 48.0 secs Computing kpt #: 297 total cpu time spent up to now is 48.1 secs Computing kpt #: 298 total cpu time spent up to now is 48.2 secs Computing kpt #: 299 total cpu time spent up to now is 48.4 secs Computing kpt #: 300 total cpu time spent up to now is 48.5 secs Computing kpt #: 301 total cpu time spent up to now is 48.7 secs Computing kpt #: 302 total cpu time spent up to now is 48.8 secs Computing kpt #: 303 total cpu time spent up to now is 48.9 secs Computing kpt #: 304 total cpu time spent up to now is 49.1 secs Computing kpt #: 305 total cpu time spent up to now is 49.2 secs Computing kpt #: 306 total cpu time spent up to now is 49.4 secs Computing kpt #: 307 total cpu time spent up to now is 49.5 secs Computing kpt #: 308 total cpu time spent up to now is 49.6 secs Computing kpt #: 309 total cpu time spent up to now is 49.8 secs Computing kpt #: 310 total cpu time spent up to now is 49.9 secs Computing kpt #: 311 total cpu time spent up to now is 50.1 secs Computing kpt #: 312 total cpu time spent up to now is 50.2 secs Computing kpt #: 313 total cpu time spent up to now is 50.3 secs Computing kpt #: 314 total cpu time spent up to now is 50.5 secs Computing kpt #: 315 total cpu time spent up to now is 50.6 secs Computing kpt #: 316 total cpu time spent up to now is 50.8 secs Computing kpt #: 317 total cpu time spent up to now is 50.9 secs Computing kpt #: 318 total cpu time spent up to now is 51.0 secs Computing kpt #: 319 total cpu time spent up to now is 51.2 secs Computing kpt #: 320 total cpu time spent up to now is 51.3 secs Computing kpt #: 321 total cpu time spent up to now is 51.5 secs Computing kpt #: 322 total cpu time spent up to now is 51.7 secs Computing kpt #: 323 total cpu time spent up to now is 51.8 secs Computing kpt #: 324 total cpu time spent up to now is 52.0 secs Computing kpt #: 325 total cpu time spent up to now is 52.1 secs Computing kpt #: 326 total cpu time spent up to now is 52.3 secs Computing kpt #: 327 total cpu time spent up to now is 52.4 secs Computing kpt #: 328 total cpu time spent up to now is 52.5 secs Computing kpt #: 329 total cpu time spent up to now is 52.7 secs Computing kpt #: 330 total cpu time spent up to now is 52.8 secs Computing kpt #: 331 total cpu time spent up to now is 52.9 secs Computing kpt #: 332 total cpu time spent up to now is 53.1 secs Computing kpt #: 333 total cpu time spent up to now is 53.2 secs Computing kpt #: 334 total cpu time spent up to now is 53.4 secs Computing kpt #: 335 total cpu time spent up to now is 53.5 secs Computing kpt #: 336 total cpu time spent up to now is 53.7 secs Computing kpt #: 337 total cpu time spent up to now is 53.8 secs Computing kpt #: 338 total cpu time spent up to now is 54.0 secs Computing kpt #: 339 total cpu time spent up to now is 54.1 secs Computing kpt #: 340 total cpu time spent up to now is 54.3 secs Computing kpt #: 341 total cpu time spent up to now is 54.4 secs Computing kpt #: 342 total cpu time spent up to now is 54.6 secs Computing kpt #: 343 total cpu time spent up to now is 54.7 secs Computing kpt #: 344 total cpu time spent up to now is 54.9 secs Computing kpt #: 345 total cpu time spent up to now is 55.0 secs Computing kpt #: 346 total cpu time spent up to now is 55.1 secs Computing kpt #: 347 total cpu time spent up to now is 55.3 secs Computing kpt #: 348 total cpu time spent up to now is 55.4 secs Computing kpt #: 349 total cpu time spent up to now is 55.5 secs Computing kpt #: 350 total cpu time spent up to now is 56.2 secs Computing kpt #: 351 total cpu time spent up to now is 56.3 secs Computing kpt #: 352 total cpu time spent up to now is 56.5 secs Computing kpt #: 353 total cpu time spent up to now is 56.6 secs Computing kpt #: 354 total cpu time spent up to now is 56.7 secs Computing kpt #: 355 total cpu time spent up to now is 56.9 secs Computing kpt #: 356 total cpu time spent up to now is 57.0 secs Computing kpt #: 357 total cpu time spent up to now is 57.1 secs Computing kpt #: 358 total cpu time spent up to now is 57.3 secs Computing kpt #: 359 total cpu time spent up to now is 57.4 secs Computing kpt #: 360 total cpu time spent up to now is 57.5 secs Computing kpt #: 361 total cpu time spent up to now is 57.7 secs Computing kpt #: 362 total cpu time spent up to now is 57.8 secs Computing kpt #: 363 total cpu time spent up to now is 58.0 secs Computing kpt #: 364 total cpu time spent up to now is 58.1 secs Computing kpt #: 365 total cpu time spent up to now is 58.2 secs Computing kpt #: 366 total cpu time spent up to now is 58.4 secs Computing kpt #: 367 total cpu time spent up to now is 58.5 secs Computing kpt #: 368 total cpu time spent up to now is 58.6 secs Computing kpt #: 369 total cpu time spent up to now is 58.8 secs Computing kpt #: 370 total cpu time spent up to now is 58.9 secs Computing kpt #: 371 total cpu time spent up to now is 59.0 secs Computing kpt #: 372 total cpu time spent up to now is 59.2 secs Computing kpt #: 373 total cpu time spent up to now is 59.3 secs Computing kpt #: 374 total cpu time spent up to now is 59.4 secs Computing kpt #: 375 total cpu time spent up to now is 59.6 secs Computing kpt #: 376 total cpu time spent up to now is 59.7 secs Computing kpt #: 377 total cpu time spent up to now is 59.8 secs Computing kpt #: 378 total cpu time spent up to now is 60.0 secs Computing kpt #: 379 total cpu time spent up to now is 60.1 secs Computing kpt #: 380 total cpu time spent up to now is 60.2 secs Computing kpt #: 381 total cpu time spent up to now is 60.4 secs Computing kpt #: 382 total cpu time spent up to now is 60.5 secs Computing kpt #: 383 total cpu time spent up to now is 60.6 secs Computing kpt #: 384 total cpu time spent up to now is 60.8 secs Computing kpt #: 385 total cpu time spent up to now is 60.9 secs Computing kpt #: 386 total cpu time spent up to now is 61.0 secs Computing kpt #: 387 total cpu time spent up to now is 61.2 secs Computing kpt #: 388 total cpu time spent up to now is 61.3 secs Computing kpt #: 389 total cpu time spent up to now is 61.4 secs Computing kpt #: 390 total cpu time spent up to now is 61.6 secs Computing kpt #: 391 total cpu time spent up to now is 61.7 secs Computing kpt #: 392 total cpu time spent up to now is 61.8 secs ethr = 3.85E-08, avg # of iterations = 15.6 total cpu time spent up to now is 61.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1783 PWs) bands (ev): -4.7124 -4.7124 4.4022 4.4022 5.6918 5.6918 6.2177 6.2177 7.7595 7.7595 8.1524 8.1524 8.1733 8.1733 8.7342 8.7342 8.7690 8.7690 10.1644 10.1644 11.0943 11.0943 11.2572 11.2572 12.8377 12.8377 17.2715 17.2715 17.5317 17.5317 24.4064 24.4064 24.4939 24.4939 k = 0.0116 0.0067-0.0000 ( 1783 PWs) bands (ev): -4.7111 -4.7111 4.3809 4.3809 5.7029 5.7029 6.2254 6.2254 7.7594 7.7594 8.1521 8.1521 8.1729 8.1729 8.7313 8.7313 8.7672 8.7672 10.1674 10.1674 11.0953 11.0953 11.2565 11.2565 12.8510 12.8510 17.2673 17.2673 17.5342 17.5342 24.4068 24.4068 24.4943 24.4943 k = 0.0233 0.0134-0.0000 ( 1783 PWs) bands (ev): -4.7069 -4.7069 4.3203 4.3203 5.7318 5.7318 6.2496 6.2496 7.7591 7.7591 8.1514 8.1514 8.1718 8.1718 8.7227 8.7227 8.7618 8.7618 10.1764 10.1764 11.0961 11.0961 11.2575 11.2575 12.8900 12.8900 17.2546 17.2546 17.5418 17.5418 24.4065 24.4065 24.4960 24.4960 k = 0.0349 0.0201-0.0000 ( 1783 PWs) bands (ev): -4.7001 -4.7001 4.2282 4.2282 5.7677 5.7677 6.2933 6.2933 7.7585 7.7585 8.1499 8.1499 8.1701 8.1701 8.7086 8.7086 8.7530 8.7530 10.1910 10.1910 11.0908 11.0908 11.2682 11.2682 12.9524 12.9524 17.2336 17.2336 17.5546 17.5546 24.4026 24.4026 24.4996 24.4996 k = 0.0465 0.0269-0.0000 ( 1783 PWs) bands (ev): -4.6905 -4.6905 4.1129 4.1129 5.7996 5.7996 6.3590 6.3590 7.7577 7.7577 8.1475 8.1475 8.1682 8.1682 8.6895 8.6895 8.7412 8.7412 10.2109 10.2109 11.0754 11.0754 11.2955 11.2955 13.0352 13.0352 17.2045 17.2045 17.5725 17.5725 24.3927 24.3927 24.4998 24.4998 k = 0.0581 0.0336-0.0000 ( 1779 PWs) bands (ev): -4.6782 -4.6782 3.9813 3.9813 5.8215 5.8215 6.4457 6.4457 7.7568 7.7568 8.1437 8.1437 8.1663 8.1663 8.6662 8.6662 8.7263 8.7263 10.2356 10.2356 11.0517 11.0517 11.3402 11.3402 13.1352 13.1352 17.1676 17.1676 17.5958 17.5958 24.3761 24.3762 24.4595 24.4595 k = 0.0698 0.0403-0.0000 ( 1779 PWs) bands (ev): -4.6632 -4.6632 3.8384 3.8384 5.8322 5.8322 6.5492 6.5492 7.7556 7.7556 8.1381 8.1381 8.1649 8.1649 8.6395 8.6395 8.7085 8.7085 10.2646 10.2646 11.0247 11.0247 11.4001 11.4001 13.2493 13.2493 17.1232 17.1232 17.6245 17.6245 24.3333 24.3333 24.3559 24.3559 k = 0.0814 0.0470-0.0000 ( 1777 PWs) bands (ev): -4.6454 -4.6454 3.6877 3.6877 5.8333 5.8333 6.6641 6.6641 7.7541 7.7541 8.1308 8.1308 8.1640 8.1640 8.6103 8.6103 8.6879 8.6879 10.2976 10.2976 10.9987 10.9987 11.4729 11.4729 13.3749 13.3749 17.0718 17.0718 17.6589 17.6589 24.1804 24.1804 24.3263 24.3263 k = 0.0930 0.0537-0.0000 ( 1767 PWs) bands (ev): -4.6249 -4.6249 3.5315 3.5315 5.8270 5.8270 6.7855 6.7855 7.7526 7.7526 8.1218 8.1218 8.1635 8.1635 8.5795 8.5795 8.6647 8.6647 10.3344 10.3344 10.9767 10.9767 11.5571 11.5571 13.5097 13.5097 17.0138 17.0138 17.6992 17.6992 24.0126 24.0126 24.2885 24.2885 k = 0.1047 0.0604-0.0000 ( 1765 PWs) bands (ev): -4.6018 -4.6018 3.3716 3.3716 5.8150 5.8150 6.9095 6.9095 7.7508 7.7508 8.1110 8.1110 8.1634 8.1634 8.5477 8.5477 8.6390 8.6390 10.3751 10.3751 10.9610 10.9610 11.6514 11.6514 13.6516 13.6516 16.9497 16.9497 17.7456 17.7456 23.8358 23.8358 24.2133 24.2133 k = 0.1163 0.0671-0.0000 ( 1765 PWs) bands (ev): -4.5759 -4.5759 3.2090 3.2090 5.7985 5.7985 7.0330 7.0330 7.7491 7.7491 8.0985 8.0985 8.1637 8.1637 8.5158 8.5158 8.6114 8.6114 10.4195 10.4195 10.9532 10.9532 11.7549 11.7549 13.7992 13.7992 16.8799 16.8799 17.7985 17.7985 23.6528 23.6528 24.0900 24.0900 k = 0.1279 0.0738-0.0000 ( 1767 PWs) bands (ev): -4.5474 -4.5474 3.0448 3.0448 5.7785 5.7785 7.1533 7.1533 7.7476 7.7476 8.0842 8.0842 8.1644 8.1644 8.4842 8.4842 8.5823 8.5823 10.4680 10.4680 10.9544 10.9544 11.8668 11.8668 13.9509 13.9509 16.8050 16.8050 17.8581 17.8581 23.4656 23.4656 23.9540 23.9540 k = 0.1395 0.0806-0.0000 ( 1767 PWs) bands (ev): -4.5163 -4.5163 2.8795 2.8795 5.7555 5.7555 7.2677 7.2677 7.7471 7.7471 8.0683 8.0683 8.1657 8.1657 8.4534 8.4534 8.5524 8.5524 10.5206 10.5206 10.9653 10.9653 11.9865 11.9865 14.1053 14.1053 16.7254 16.7254 17.9248 17.9248 23.2755 23.2755 23.8148 23.8148 k = 0.1512 0.0873-0.0000 ( 1759 PWs) bands (ev): -4.4825 -4.4825 2.7137 2.7137 5.7303 5.7303 7.3731 7.3731 7.7488 7.7488 8.0506 8.0506 8.1677 8.1677 8.4239 8.4239 8.5222 8.5222 10.5775 10.5775 10.9868 10.9868 12.1133 12.1133 14.2614 14.2614 16.6417 16.6417 17.9989 17.9989 23.0836 23.0836 23.6750 23.6750 k = 0.1628 0.0940-0.0000 ( 1761 PWs) bands (ev): -4.4461 -4.4461 2.5478 2.5478 5.7031 5.7031 7.4646 7.4646 7.7558 7.7558 8.0313 8.0313 8.1707 8.1707 8.3960 8.3960 8.4923 8.4923 10.6385 10.6385 11.0193 11.0193 12.2467 12.2467 14.4179 14.4179 16.5543 16.5543 18.0809 18.0809 22.8907 22.8907 23.5358 23.5358 k = 0.1744 0.1007-0.0000 ( 1753 PWs) bands (ev): -4.4071 -4.4071 2.3822 2.3822 5.6742 5.6742 7.5349 7.5349 7.7737 7.7737 8.0108 8.0108 8.1752 8.1752 8.3700 8.3700 8.4635 8.4635 10.7030 10.7030 11.0638 11.0638 12.3861 12.3861 14.5738 14.5738 16.4638 16.4638 18.1709 18.1709 22.6972 22.6972 23.3978 23.3978 k = 0.1860 0.1074-0.0000 ( 1749 PWs) bands (ev): -4.3656 -4.3656 2.2172 2.2172 5.6442 5.6442 7.5767 7.5767 7.8079 7.8079 7.9893 7.9893 8.1819 8.1819 8.3460 8.3460 8.4361 8.4361 10.7703 10.7703 11.1211 11.1211 12.5313 12.5313 14.7281 14.7281 16.3706 16.3706 18.2694 18.2694 22.5036 22.5036 23.2614 23.2614 k = 0.1977 0.1141-0.0000 ( 1761 PWs) bands (ev): -4.3216 -4.3216 2.0529 2.0529 5.6131 5.6131 7.5916 7.5916 7.8549 7.8549 7.9676 7.9676 8.1916 8.1916 8.3243 8.3243 8.4107 8.4107 10.8391 10.8391 11.1921 11.1921 12.6817 12.6817 14.8797 14.8797 16.2753 16.2753 18.3764 18.3764 22.3102 22.3102 23.1270 23.1270 k = 0.2093 0.1208-0.0000 ( 1761 PWs) bands (ev): -4.2751 -4.2751 1.8898 1.8898 5.5813 5.5813 7.5888 7.5888 7.9036 7.9036 7.9463 7.9463 8.2056 8.2056 8.3051 8.3051 8.3876 8.3876 10.9085 10.9085 11.2776 11.2776 12.8370 12.8370 15.0276 15.0276 16.1785 16.1785 18.4921 18.4921 22.1175 22.1175 22.9945 22.9945 k = 0.2209 0.1276-0.0000 ( 1771 PWs) bands (ev): -4.2262 -4.2262 1.7279 1.7279 5.5491 5.5491 7.5750 7.5750 7.9259 7.9259 7.9458 7.9458 8.2237 8.2237 8.2891 8.2891 8.3672 8.3672 10.9778 10.9778 11.3777 11.3777 12.9968 12.9968 15.1706 15.1706 16.0810 16.0810 18.6164 18.6164 21.9258 21.9258 22.8641 22.8641 k = 0.2326 0.1343-0.0000 ( 1769 PWs) bands (ev): -4.1749 -4.1749 1.5674 1.5674 5.5166 5.5166 7.5540 7.5540 7.9075 7.9075 7.9777 7.9777 8.2414 8.2414 8.2802 8.2802 8.3506 8.3506 11.0469 11.0469 11.4918 11.4918 13.1610 13.1610 15.3070 15.3070 15.9843 15.9843 18.7487 18.7487 21.7356 21.7356 22.7353 22.7353 k = 0.2442 0.1410-0.0000 ( 1769 PWs) bands (ev): -4.1213 -4.1213 1.4086 1.4086 5.4842 5.4842 7.5276 7.5276 7.8910 7.8910 7.9995 7.9995 8.2440 8.2440 8.2879 8.2879 8.3410 8.3410 11.1159 11.1159 11.6188 11.6188 13.3291 13.3291 15.4332 15.4332 15.8918 15.8918 18.8883 18.8883 21.5478 21.5478 22.6076 22.6076 k = 0.2558 0.1477-0.0000 ( 1769 PWs) bands (ev): -4.0654 -4.0654 1.2517 1.2517 5.4519 5.4519 7.4970 7.4970 7.8765 7.8765 8.0132 8.0132 8.2356 8.2356 8.2950 8.2950 8.3494 8.3494 11.1853 11.1853 11.7575 11.7575 13.5009 13.5009 15.5368 15.5368 15.8161 15.8161 19.0336 19.0336 21.3635 21.3635 22.4797 22.4797 k = 0.2674 0.1544-0.0000 ( 1765 PWs) bands (ev): -4.0074 -4.0074 1.0967 1.0967 5.4199 5.4199 7.4635 7.4635 7.8641 7.8641 8.0209 8.0209 8.2257 8.2257 8.2896 8.2896 8.3751 8.3751 11.2553 11.2553 11.9065 11.9065 13.6760 13.6760 15.5704 15.5704 15.8044 15.8044 19.1819 19.1819 21.1851 21.1851 22.3496 22.3496 k = 0.2791 0.1611-0.0000 ( 1765 PWs) bands (ev): -3.9474 -3.9474 0.9440 0.9440 5.3886 5.3886 7.4278 7.4278 7.8535 7.8535 8.0246 8.0246 8.2164 8.2164 8.2810 8.2810 8.4054 8.4054 11.3262 11.3262 12.0646 12.0646 13.8541 13.8541 15.5137 15.5137 15.8775 15.8775 19.3285 19.3285 21.0164 21.0164 22.2145 22.2145 k = 0.2907 0.1678-0.0000 ( 1765 PWs) bands (ev): -3.8854 -3.8854 0.7936 0.7936 5.3579 5.3579 7.3909 7.3909 7.8443 7.8443 8.0256 8.0256 8.2080 8.2080 8.2725 8.2725 8.4353 8.4353 11.3981 11.3981 12.2306 12.2306 14.0345 14.0345 15.4269 15.4269 15.9758 15.9758 19.4650 19.4650 20.8651 20.8651 22.0708 22.0708 k = 0.3023 0.1745-0.0000 ( 1765 PWs) bands (ev): -3.8215 -3.8215 0.6458 0.6458 5.3281 5.3281 7.3536 7.3536 7.8365 7.8365 8.0248 8.0248 8.2004 8.2004 8.2648 8.2648 8.4633 8.4633 11.4710 11.4710 12.4034 12.4034 14.2164 14.2164 15.3340 15.3340 16.0761 16.0761 19.5761 19.5761 20.7452 20.7452 21.9157 21.9157 k = 0.3140 0.1813-0.0000 ( 1763 PWs) bands (ev): -3.7561 -3.7561 0.5009 0.5009 5.2993 5.2993 7.3163 7.3163 7.8297 7.8297 8.0227 8.0227 8.1937 8.1937 8.2580 8.2580 8.4890 8.4890 11.5449 11.5449 12.5819 12.5819 14.3981 14.3981 15.2424 15.2424 16.1729 16.1729 19.6373 19.6373 20.6796 20.6796 21.7483 21.7483 k = 0.3256 0.1880-0.0000 ( 1763 PWs) bands (ev): -3.6891 -3.6891 0.3590 0.3590 5.2717 5.2717 7.2796 7.2796 7.8238 7.8238 8.0199 8.0199 8.1878 8.1878 8.2522 8.2522 8.5123 8.5123 11.6197 11.6197 12.7650 12.7650 14.5750 14.5750 15.1585 15.1585 16.2645 16.2645 19.6258 19.6258 20.6888 20.6888 21.5693 21.5693 k = 0.3372 0.1947-0.0000 ( 1769 PWs) bands (ev): -3.6209 -3.6209 0.2205 0.2205 5.2453 5.2453 7.2440 7.2440 7.8187 7.8187 8.0166 8.0166 8.1826 8.1826 8.2471 8.2471 8.5332 8.5332 11.6951 11.6951 12.9514 12.9514 14.7307 14.7307 15.0998 15.0998 16.3501 16.3501 19.5438 19.5438 20.7676 20.7676 21.3810 21.3810 k = 0.3488 0.2014-0.0000 ( 1763 PWs) bands (ev): -3.5518 -3.5518 0.0857 0.0857 5.2203 5.2203 7.2098 7.2098 7.8143 7.8143 8.0131 8.0131 8.1780 8.1780 8.2428 8.2428 8.5519 8.5519 11.7710 11.7710 13.1396 13.1396 14.8079 14.8079 15.1249 15.1249 16.4290 16.4290 19.4141 19.4141 20.8872 20.8872 21.1866 21.1866 k = 0.3605 0.2081-0.0000 ( 1767 PWs) bands (ev): -3.4821 -3.4821 -0.0451 -0.0451 5.1968 5.1968 7.1773 7.1773 7.8103 7.8103 8.0095 8.0095 8.1739 8.1739 8.2392 8.2392 8.5684 8.5684 11.8471 11.8471 13.3275 13.3275 14.7819 14.7819 15.2600 15.2600 16.5005 16.5005 19.2580 19.2580 20.9555 20.9555 21.0525 21.0525 k = 0.3721 0.2148-0.0000 ( 1771 PWs) bands (ev): -3.4121 -3.4121 -0.1713 -0.1713 5.1748 5.1748 7.1467 7.1467 7.8068 7.8068 8.0059 8.0059 8.1703 8.1703 8.2360 8.2360 8.5830 8.5830 11.9231 11.9231 13.5116 13.5116 14.7235 14.7235 15.4370 15.4370 16.5637 16.5637 19.0887 19.0887 20.7654 20.7654 21.1647 21.1647 k = 0.3837 0.2215-0.0000 ( 1767 PWs) bands (ev): -3.3424 -3.3424 -0.2925 -0.2925 5.1545 5.1545 7.1183 7.1183 7.8038 7.8038 8.0025 8.0025 8.1672 8.1672 8.2334 8.2334 8.5959 8.5959 11.9984 11.9984 13.6860 13.6860 14.6682 14.6682 15.6255 15.6255 16.6175 16.6175 18.9141 18.9141 20.5565 20.5565 21.2659 21.2659 k = 0.3953 0.2283-0.0000 ( 1765 PWs) bands (ev): -3.2736 -3.2736 -0.4079 -0.4079 5.1359 5.1359 7.0921 7.0921 7.8012 7.8012 7.9993 7.9993 8.1644 8.1644 8.2312 8.2312 8.6071 8.6071 12.0726 12.0726 13.8392 13.8392 14.6346 14.6346 15.8172 15.8172 16.6604 16.6604 18.7397 18.7397 20.3451 20.3451 21.3272 21.3272 k = 0.4070 0.2350-0.0000 ( 1765 PWs) bands (ev): -3.2066 -3.2066 -0.5168 -0.5168 5.1191 5.1191 7.0684 7.0684 7.7989 7.7989 7.9964 7.9964 8.1621 8.1621 8.2293 8.2293 8.6168 8.6168 12.1450 12.1450 13.9519 13.9519 14.6441 14.6441 16.0082 16.0082 16.6908 16.6908 18.5703 18.5703 20.1339 20.1339 21.3464 21.3464 k = 0.4186 0.2417-0.0000 ( 1773 PWs) bands (ev): -3.1421 -3.1421 -0.6183 -0.6183 5.1041 5.1041 7.0473 7.0473 7.7969 7.7969 7.9937 7.9937 8.1600 8.1600 8.2278 8.2278 8.6251 8.6251 12.2146 12.2146 14.0067 14.0067 14.7153 14.7153 16.1940 16.1940 16.7077 16.7077 18.4105 18.4105 19.9252 19.9252 21.3340 21.3340 k = 0.4302 0.2484-0.0000 ( 1764 PWs) bands (ev): -3.0814 -3.0814 -0.7111 -0.7111 5.0911 5.0911 7.0289 7.0289 7.7952 7.7952 7.9915 7.9915 8.1583 8.1583 8.2265 8.2265 8.6322 8.6322 12.2804 12.2804 14.0096 14.0096 14.8423 14.8423 16.3652 16.3652 16.7148 16.7148 18.2653 18.2653 19.7214 19.7214 21.3040 21.3040 k = 0.4419 0.2551-0.0000 ( 1762 PWs) bands (ev): -3.0258 -3.0258 -0.7938 -0.7938 5.0799 5.0799 7.0132 7.0132 7.7938 7.7938 7.9895 7.9895 8.1569 8.1569 8.2255 8.2255 8.6380 8.6380 12.3411 12.3411 13.9837 13.9837 15.0025 15.0025 16.4893 16.4893 16.7378 16.7378 18.1395 18.1395 19.5261 19.5261 21.2667 21.2667 k = 0.4535 0.2618-0.0000 ( 1766 PWs) bands (ev): -2.9769 -2.9769 -0.8650 -0.8650 5.0708 5.0708 7.0002 7.0002 7.7926 7.7926 7.9879 7.9879 8.1557 8.1557 8.2247 8.2247 8.6426 8.6426 12.3949 12.3949 13.9472 13.9472 15.1769 15.1769 16.5066 16.5066 16.8302 16.8302 18.0369 18.0369 19.3441 19.3441 21.2292 21.2292 k = 0.4651 0.2685-0.0000 ( 1760 PWs) bands (ev): -2.9363 -2.9363 -0.9230 -0.9230 5.0636 5.0636 6.9901 6.9901 7.7918 7.7918 7.9866 7.9866 8.1549 8.1549 8.2241 8.2241 8.6462 8.6462 12.4399 12.4399 13.9109 13.9109 15.3534 15.3534 16.4450 16.4450 16.9592 16.9592 17.9594 17.9594 19.1824 19.1824 21.1962 21.1962 k = 0.4767 0.2752-0.0000 ( 1762 PWs) bands (ev): -2.9058 -2.9058 -0.9659 -0.9659 5.0585 5.0585 6.9828 6.9828 7.7912 7.7912 7.9857 7.9857 8.1543 8.1543 8.2237 8.2237 8.6487 8.6487 12.4741 12.4741 13.8809 13.8809 15.5204 15.5204 16.3510 16.3510 17.0759 17.0759 17.9063 17.9063 19.0511 19.0511 21.1707 21.1707 k = 0.4884 0.2820-0.0000 ( 1770 PWs) bands (ev): -2.8868 -2.8868 -0.9924 -0.9924 5.0554 5.0554 6.9784 6.9784 7.7907 7.7907 7.9851 7.9851 8.1538 8.1538 8.2234 8.2234 8.6502 8.6502 12.4956 12.4956 13.8613 13.8613 15.6573 15.6573 16.2553 16.2553 17.1567 17.1567 17.8756 17.8756 18.9635 18.9635 21.1546 21.1546 k = 0.5000 0.2887-0.0000 ( 1766 PWs) bands (ev): -2.8803 -2.8803 -1.0013 -1.0013 5.0544 5.0544 6.9770 6.9770 7.7906 7.7906 7.9849 7.9849 8.1537 8.1537 8.2233 8.2233 8.6507 8.6507 12.5029 12.5029 13.8545 13.8545 15.7172 15.7172 16.2088 16.2088 17.1859 17.1859 17.8655 17.8655 18.9324 18.9324 21.1492 21.1492 k = 0.5000 0.2887-0.0000 ( 1766 PWs) bands (ev): -2.8803 -2.8803 -1.0013 -1.0013 5.0544 5.0544 6.9770 6.9770 7.7906 7.7906 7.9849 7.9849 8.1537 8.1537 8.2233 8.2233 8.6507 8.6507 12.5029 12.5029 13.8545 13.8545 15.7172 15.7172 16.2088 16.2088 17.1859 17.1859 17.8655 17.8655 18.9324 18.9324 21.1492 21.1492 k = 0.4933 0.3002-0.0000 ( 1770 PWs) bands (ev): -2.8788 -2.8788 -1.0025 -1.0025 5.0411 5.0411 6.9907 6.9907 7.7907 7.7907 7.9855 7.9855 8.1538 8.1538 8.2232 8.2232 8.6549 8.6549 12.5040 12.5040 13.8538 13.8538 15.7082 15.7082 16.1840 16.1840 17.2063 17.2063 17.8725 17.8725 18.9328 18.9328 21.1577 21.1577 k = 0.4867 0.3118-0.0000 ( 1770 PWs) bands (ev): -2.8742 -2.8742 -1.0062 -1.0062 5.0025 5.0025 7.0302 7.0302 7.7909 7.7909 7.9874 7.9874 8.1542 8.1542 8.2228 8.2228 8.6675 8.6675 12.5071 12.5071 13.8515 13.8515 15.6813 15.6813 16.1163 16.1163 17.2607 17.2607 17.8941 17.8941 18.9341 18.9341 21.1824 21.1824 k = 0.4800 0.3233-0.0000 ( 1774 PWs) bands (ev): -2.8665 -2.8665 -1.0122 -1.0122 4.9423 4.9423 7.0910 7.0910 7.7912 7.7912 7.9906 7.9906 8.1547 8.1547 8.2221 8.2221 8.6896 8.6896 12.5123 12.5123 13.8477 13.8477 15.6365 15.6365 16.0192 16.0192 17.3338 17.3338 17.9325 17.9325 18.9360 18.9360 21.2149 21.2149 k = 0.4733 0.3349-0.0000 ( 1772 PWs) bands (ev): -2.8558 -2.8558 -1.0208 -1.0208 4.8652 4.8652 7.1670 7.1670 7.7917 7.7917 7.9952 7.9952 8.1554 8.1554 8.2212 8.2212 8.7224 8.7224 12.5196 12.5196 13.8423 13.8423 15.5740 15.5740 15.9054 15.9054 17.4112 17.4112 17.9901 17.9901 18.9380 18.9380 21.1786 21.1786 k = 0.4667 0.3464-0.0000 ( 1776 PWs) bands (ev): -2.8420 -2.8420 -1.0320 -1.0320 4.7762 4.7762 7.2513 7.2513 7.7923 7.7923 8.0012 8.0012 8.1564 8.1564 8.2199 8.2199 8.7677 8.7677 12.5289 12.5289 13.8351 13.8351 15.4936 15.4936 15.7839 15.7839 17.4832 17.4832 18.0686 18.0686 18.9399 18.9399 21.0906 21.0906 k = 0.4600 0.3580-0.0000 ( 1770 PWs) bands (ev): -2.8252 -2.8252 -1.0458 -1.0458 4.6793 4.6793 7.3377 7.3377 7.7930 7.7930 8.0087 8.0087 8.1575 8.1575 8.2185 8.2185 8.8280 8.8280 12.5403 12.5403 13.8260 13.8260 15.3958 15.3958 15.6608 15.6608 17.5459 17.5459 18.1668 18.1668 18.9411 18.9411 20.9913 20.9913 k = 0.4533 0.3695-0.0000 ( 1766 PWs) bands (ev): -2.8053 -2.8053 -1.0624 -1.0624 4.5781 4.5781 7.4207 7.4207 7.7938 7.7938 8.0177 8.0177 8.1589 8.1589 8.2168 8.2168 8.9052 8.9052 12.5537 12.5537 13.8147 13.8147 15.2821 15.2821 15.5390 15.5390 17.5994 17.5994 18.2813 18.2813 18.9411 18.9411 20.8871 20.8871 k = 0.4467 0.3811-0.0000 ( 1758 PWs) bands (ev): -2.7823 -2.7823 -1.0818 -1.0818 4.4751 4.4751 7.4958 7.4958 7.7947 7.7947 8.0279 8.0279 8.1604 8.1604 8.2150 8.2150 9.0013 9.0013 12.5690 12.5690 13.8011 13.8011 15.1556 15.1556 15.4189 15.4189 17.6464 17.6464 18.4072 18.4072 18.9398 18.9398 20.7809 20.7809 k = 0.4400 0.3926-0.0000 ( 1762 PWs) bands (ev): -2.7563 -2.7563 -1.1043 -1.1043 4.3725 4.3725 7.5605 7.5605 7.7957 7.7957 8.0390 8.0390 8.1620 8.1620 8.2129 8.2129 9.1171 9.1171 12.5862 12.5862 13.7849 13.7849 15.0203 15.0203 15.2995 15.2995 17.6893 17.6893 18.5403 18.5403 18.9366 18.9366 20.6750 20.6750 k = 0.4333 0.4041-0.0000 ( 1766 PWs) bands (ev): -2.7273 -2.7273 -1.1299 -1.1299 4.2720 4.2720 7.6140 7.6140 7.7967 7.7967 8.0505 8.0505 8.1636 8.1636 8.2106 8.2106 9.2525 9.2525 12.6053 12.6053 13.7656 13.7656 14.8798 14.8798 15.1796 15.1796 17.7303 17.7303 18.6770 18.6770 18.9315 18.9315 20.5710 20.5710 k = 0.4267 0.4157-0.0000 ( 1766 PWs) bands (ev): -2.6952 -2.6952 -1.1587 -1.1587 4.1747 4.1747 7.6567 7.6567 7.7978 7.7978 8.0619 8.0619 8.1653 8.1653 8.2081 8.2081 9.4062 9.4062 12.6261 12.6261 13.7427 13.7427 14.7372 14.7372 15.0585 15.0585 17.7706 17.7706 18.8137 18.8137 18.9254 18.9254 20.4703 20.4703 k = 0.4200 0.4272-0.0000 ( 1762 PWs) bands (ev): -2.6600 -2.6600 -1.1909 -1.1909 4.0819 4.0819 7.6901 7.6901 7.7990 7.7990 8.0728 8.0728 8.1670 8.1670 8.2056 8.2056 9.5761 9.5761 12.6485 12.6485 13.7156 13.7156 14.5948 14.5948 14.9361 14.9361 17.8114 17.8114 18.9034 18.9034 18.9631 18.9631 20.3738 20.3738 k = 0.4133 0.4388-0.0000 ( 1762 PWs) bands (ev): -2.6218 -2.6218 -1.2266 -1.2266 3.9942 3.9942 7.7159 7.7159 7.8001 7.8001 8.0829 8.0829 8.1686 8.1686 8.2029 8.2029 9.7600 9.7600 12.6723 12.6723 13.6835 13.6835 14.4547 14.4547 14.8126 14.8126 17.8531 17.8531 18.8951 18.8951 19.0938 19.0938 20.2823 20.2823 k = 0.4067 0.4503-0.0000 ( 1760 PWs) bands (ev): -2.5806 -2.5806 -1.2658 -1.2658 3.9124 3.9124 7.7356 7.7356 7.8014 7.8014 8.0919 8.0919 8.1701 8.1701 8.2002 8.2002 9.9556 9.9556 12.6972 12.6972 13.6452 13.6452 14.3190 14.3190 14.6886 14.6886 17.8962 17.8962 18.8790 18.8790 19.2256 19.2256 20.1964 20.1964 k = 0.4000 0.4619-0.0000 ( 1760 PWs) bands (ev): -2.5363 -2.5363 -1.3085 -1.3085 3.8369 3.8369 7.7507 7.7507 7.8026 7.8026 8.0998 8.0998 8.1713 8.1713 8.1975 8.1975 10.1608 10.1608 12.7228 12.7228 13.5993 13.5993 14.1899 14.1899 14.5646 14.5646 17.9410 17.9410 18.8591 18.8591 19.3534 19.3534 20.1169 20.1169 k = 0.3933 0.4734-0.0000 ( 1756 PWs) bands (ev): -2.4890 -2.4890 -1.3549 -1.3549 3.7681 3.7681 7.7623 7.7623 7.8039 7.8039 8.1069 8.1069 8.1722 8.1722 8.1948 8.1948 10.3735 10.3735 12.7485 12.7485 13.5444 13.5444 14.0700 14.0700 14.4414 14.4414 17.9875 17.9875 18.8355 18.8355 19.4753 19.4753 20.0442 20.0442 k = 0.3867 0.4850-0.0000 ( 1754 PWs) bands (ev): -2.4387 -2.4387 -1.4049 -1.4049 3.7064 3.7064 7.7711 7.7711 7.8051 7.8051 8.1130 8.1130 8.1729 8.1729 8.1921 8.1921 10.5918 10.5918 12.7733 12.7733 13.4795 13.4795 13.9616 13.9616 14.3198 14.3198 18.0357 18.0357 18.8084 18.8084 19.5898 19.5898 19.9789 19.9789 k = 0.3800 0.4965-0.0000 ( 1756 PWs) bands (ev): -2.3854 -2.3854 -1.4584 -1.4584 3.6519 3.6519 7.7777 7.7777 7.8062 7.8062 8.1184 8.1184 8.1732 8.1732 8.1896 8.1896 10.8135 10.8135 12.7955 12.7955 13.4054 13.4054 13.8660 13.8660 14.2010 14.2010 18.0858 18.0858 18.7776 18.7776 19.6950 19.6950 19.9222 19.9222 k = 0.3733 0.5081-0.0000 ( 1752 PWs) bands (ev): -2.3291 -2.3291 -1.5154 -1.5154 3.6048 3.6048 7.7827 7.7827 7.8073 7.8073 8.1231 8.1231 8.1732 8.1732 8.1873 8.1873 11.0362 11.0362 12.8125 12.8125 13.3260 13.3260 13.7827 13.7827 14.0863 14.0863 18.1375 18.1375 18.7432 18.7432 19.7840 19.7840 19.8797 19.8797 k = 0.3667 0.5196-0.0000 ( 1756 PWs) bands (ev): -2.2698 -2.2698 -1.5758 -1.5758 3.5652 3.5652 7.7864 7.7864 7.8082 7.8082 8.1271 8.1271 8.1730 8.1730 8.1852 8.1852 11.2564 11.2564 12.8199 12.8199 13.2488 13.2488 13.7096 13.7096 13.9775 13.9775 18.1908 18.1908 18.7053 18.7053 19.8074 19.8074 19.8996 19.8996 k = 0.3600 0.5312-0.0000 ( 1756 PWs) bands (ev): -2.2077 -2.2077 -1.6392 -1.6392 3.5330 3.5330 7.7891 7.7891 7.8090 7.8090 8.1304 8.1304 8.1724 8.1724 8.1834 8.1834 11.4689 11.4689 12.8122 12.8122 13.1842 13.1842 13.6445 13.6445 13.8772 13.8772 18.2454 18.2454 18.6639 18.6639 19.7800 19.7800 19.9656 19.9656 k = 0.3533 0.5427-0.0000 ( 1760 PWs) bands (ev): -2.1428 -2.1428 -1.7055 -1.7055 3.5083 3.5083 7.7910 7.7910 7.8097 7.8097 8.1331 8.1331 8.1718 8.1718 8.1820 8.1820 11.6647 11.6647 12.7879 12.7879 13.1399 13.1399 13.5865 13.5865 13.7887 13.7887 18.3009 18.3009 18.6192 18.6192 19.7542 19.7542 20.0238 20.0238 k = 0.3467 0.5543-0.0000 ( 1752 PWs) bands (ev): -2.0755 -2.0755 -1.7741 -1.7741 3.4908 3.4908 7.7922 7.7922 7.8101 7.8101 8.1351 8.1351 8.1713 8.1713 8.1811 8.1811 11.8285 11.8285 12.7571 12.7571 13.1150 13.1150 13.5367 13.5367 13.7168 13.7168 18.3569 18.3569 18.5716 18.5716 19.7352 19.7352 20.0675 20.0675 k = 0.3400 0.5658-0.0000 ( 1752 PWs) bands (ev): -2.0076 -2.0076 -1.8430 -1.8430 3.4804 3.4804 7.7929 7.7929 7.8104 7.8104 8.1363 8.1363 8.1710 8.1710 8.1804 8.1804 11.9376 11.9376 12.7387 12.7387 13.1024 13.1024 13.5000 13.5000 13.6675 13.6675 18.4125 18.4125 18.5215 18.5215 19.7237 19.7237 20.0946 20.0946 k = 0.3333 0.5774-0.0000 ( 1752 PWs) bands (ev): -1.9599 -1.9599 -1.8910 -1.8910 3.4770 3.4770 7.7931 7.7931 7.8105 7.8105 8.1366 8.1366 8.1709 8.1709 8.1801 8.1801 11.9740 11.9740 12.7371 12.7371 13.0987 13.0987 13.4850 13.4850 13.6487 13.6487 18.4594 18.4594 18.4766 18.4766 19.7199 19.7199 20.1038 20.1038 k = 0.3333 0.5774-0.0000 ( 1752 PWs) bands (ev): -1.9599 -1.9599 -1.8910 -1.8910 3.4770 3.4770 7.7931 7.7931 7.8105 7.8105 8.1366 8.1366 8.1709 8.1709 8.1801 8.1801 11.9740 11.9740 12.7371 12.7371 13.0987 13.0987 13.4850 13.4850 13.6487 13.6487 18.4594 18.4594 18.4766 18.4766 19.7199 19.7199 20.1038 20.1038 k = 0.3267 0.5658-0.0000 ( 1752 PWs) bands (ev): -2.0099 -2.0099 -1.8406 -1.8406 3.4803 3.4803 7.7929 7.7929 7.8104 7.8104 8.1363 8.1363 8.1710 8.1710 8.1804 8.1804 11.9442 11.9442 12.7278 12.7278 13.0984 13.0984 13.5026 13.5026 13.6730 13.6730 18.4127 18.4127 18.5209 18.5209 19.7237 19.7237 20.0947 20.0947 k = 0.3200 0.5543-0.0000 ( 1756 PWs) bands (ev): -2.0852 -2.0852 -1.7637 -1.7637 3.4902 3.4902 7.7923 7.7923 7.8102 7.8102 8.1353 8.1353 8.1710 8.1710 8.1813 8.1813 11.8714 11.8714 12.6900 12.6900 13.0850 13.0850 13.5465 13.5465 13.7605 13.7605 18.3570 18.3570 18.5682 18.5682 19.7349 19.7349 20.0681 20.0681 k = 0.3133 0.5427-0.0000 ( 1752 PWs) bands (ev): -2.1645 -2.1645 -1.6815 -1.6815 3.5063 3.5063 7.7913 7.7913 7.8100 7.8100 8.1340 8.1340 8.1709 8.1709 8.1829 8.1829 11.7745 11.7745 12.6274 12.6274 13.0506 13.0506 13.5969 13.5969 13.9162 13.9162 18.3005 18.3005 18.6081 18.6081 19.7533 19.7533 20.0268 20.0268 k = 0.3067 0.5312-0.0000 ( 1756 PWs) bands (ev): -2.2458 -2.2458 -1.5958 -1.5958 3.5284 3.5284 7.7899 7.7899 7.8097 7.8097 8.1323 8.1323 8.1707 8.1707 8.1850 8.1850 11.6644 11.6644 12.5495 12.5495 13.0005 13.0005 13.6496 13.6496 14.1176 14.1176 18.2439 18.2439 18.6359 18.6359 19.7782 19.7782 19.9759 19.9759 k = 0.3000 0.5196-0.0000 ( 1758 PWs) bands (ev): -2.3284 -2.3284 -1.5068 -1.5068 3.5562 3.5562 7.7881 7.7881 7.8095 7.8095 8.1304 8.1304 8.1705 8.1705 8.1876 8.1876 11.5471 11.5471 12.4635 12.4635 12.9407 12.9407 13.7063 13.7063 14.3437 14.3437 18.1883 18.1883 18.6455 18.6455 19.8073 19.8073 19.9248 19.9248 k = 0.2933 0.5081-0.0000 ( 1758 PWs) bands (ev): -2.4120 -2.4120 -1.4148 -1.4148 3.5895 3.5895 7.7858 7.7858 7.8093 7.8093 8.1285 8.1285 8.1703 8.1703 8.1905 8.1905 11.4255 11.4255 12.3733 12.3733 12.8747 12.8747 13.7673 13.7673 14.5825 14.5825 18.1348 18.1348 18.6290 18.6290 19.8282 19.8282 19.8955 19.8955 k = 0.2867 0.4965-0.0000 ( 1755 PWs) bands (ev): -2.4962 -2.4962 -1.3197 -1.3197 3.6279 3.6279 7.7832 7.7832 7.8093 7.8093 8.1267 8.1267 8.1702 8.1702 8.1936 8.1936 11.3017 11.3017 12.2814 12.2814 12.8047 12.8047 13.8324 13.8324 14.8266 14.8266 18.0848 18.0848 18.5789 18.5789 19.8192 19.8192 19.9191 19.9191 k = 0.2800 0.4850-0.0000 ( 1761 PWs) bands (ev): -2.5807 -2.5807 -1.2218 -1.2218 3.6713 3.6713 7.7802 7.7802 7.8093 7.8093 8.1249 8.1249 8.1701 8.1701 8.1970 8.1970 11.1766 11.1766 12.1892 12.1892 12.7316 12.7316 13.9011 13.9011 15.0709 15.0709 18.0402 18.0402 18.4910 18.4910 19.8147 19.8147 19.9680 19.9680 k = 0.2733 0.4734-0.0000 ( 1765 PWs) bands (ev): -2.6654 -2.6654 -1.1209 -1.1209 3.7192 3.7192 7.7768 7.7768 7.8095 7.8095 8.1233 8.1233 8.1702 8.1702 8.2005 8.2005 11.0509 11.0509 12.0977 12.0977 12.6563 12.6563 13.9730 13.9730 15.3108 15.3108 18.0036 18.0036 18.3662 18.3662 19.8318 19.8318 20.0268 20.0268 k = 0.2667 0.4619-0.0000 ( 1761 PWs) bands (ev): -2.7500 -2.7500 -1.0171 -1.0171 3.7715 3.7715 7.7731 7.7731 7.8100 7.8100 8.1219 8.1219 8.1705 8.1705 8.2042 8.2042 10.9252 10.9252 12.0076 12.0076 12.5794 12.5794 14.0479 14.0479 15.5411 15.5411 17.9778 17.9778 18.2100 18.2100 19.8706 19.8706 20.0927 20.0927 k = 0.2600 0.4503-0.0000 ( 1753 PWs) bands (ev): -2.8342 -2.8342 -0.9104 -0.9104 3.8279 3.8279 7.7691 7.7691 7.8107 7.8107 8.1207 8.1207 8.1710 8.1710 8.2081 8.2081 10.7998 10.7998 11.9194 11.9194 12.5012 12.5012 14.1254 14.1254 15.7560 15.7560 17.9603 17.9603 18.0367 18.0367 19.9275 19.9275 20.1650 20.1650 k = 0.2533 0.4388-0.0000 ( 1753 PWs) bands (ev): -2.9180 -2.9180 -0.8009 -0.8009 3.8881 3.8881 7.7648 7.7648 7.8115 7.8115 8.1198 8.1198 8.1716 8.1716 8.2122 8.2122 10.6747 10.6747 11.8333 11.8333 12.4221 12.4221 14.2053 14.2053 15.9482 15.9482 17.8157 17.8157 17.9937 17.9937 19.9987 19.9987 20.2432 20.2432 k = 0.2467 0.4272-0.0000 ( 1755 PWs) bands (ev): -3.0010 -3.0010 -0.6886 -0.6886 3.9518 3.9518 7.7603 7.7603 7.8126 7.8126 8.1192 8.1192 8.1725 8.1725 8.2165 8.2165 10.5502 10.5502 11.7497 11.7497 12.3424 12.3424 14.2872 14.2872 16.1099 16.1099 17.6019 17.6019 18.0353 18.0353 20.0810 20.0810 20.3270 20.3270 k = 0.2400 0.4157-0.0000 ( 1759 PWs) bands (ev): -3.0832 -3.0832 -0.5734 -0.5734 4.0187 4.0187 7.7556 7.7556 7.8140 7.8140 8.1188 8.1188 8.1736 8.1736 8.2209 8.2209 10.4264 10.4264 11.6687 11.6687 12.2622 12.2622 14.3710 14.3710 16.2341 16.2341 17.3760 17.3760 18.1142 18.1142 20.1722 20.1722 20.4163 20.4163 k = 0.2333 0.4041-0.0000 ( 1761 PWs) bands (ev): -3.1643 -3.1643 -0.4556 -0.4556 4.0886 4.0886 7.7508 7.7508 7.8157 7.8157 8.1188 8.1188 8.1749 8.1749 8.2256 8.2256 10.3032 10.3032 11.5905 11.5905 12.1820 12.1820 14.4563 14.4563 16.3170 16.3170 17.1432 17.1432 18.2310 18.2310 20.2708 20.2708 20.5106 20.5106 k = 0.2267 0.3926-0.0000 ( 1761 PWs) bands (ev): -3.2443 -3.2443 -0.3349 -0.3349 4.1612 4.1612 7.7460 7.7460 7.8177 7.8177 8.1190 8.1190 8.1766 8.1766 8.2306 8.2306 10.1808 10.1808 11.5152 11.5152 12.1018 12.1018 14.5426 14.5426 16.3589 16.3589 16.9076 16.9076 18.3821 18.3821 20.3756 20.3756 20.6099 20.6099 k = 0.2200 0.3811-0.0000 ( 1759 PWs) bands (ev): -3.3230 -3.3230 -0.2116 -0.2116 4.2361 4.2361 7.7412 7.7412 7.8202 7.8202 8.1194 8.1194 8.1786 8.1786 8.2358 8.2358 10.0591 10.0591 11.4428 11.4428 12.0219 12.0219 14.6294 14.6294 16.3608 16.3608 16.6758 16.6758 18.5601 18.5601 20.4857 20.4857 20.7138 20.7138 k = 0.2133 0.3695-0.0000 ( 1761 PWs) bands (ev): -3.4002 -3.4002 -0.0856 -0.0856 4.3131 4.3131 7.7365 7.7365 7.8230 7.8230 8.1201 8.1201 8.1809 8.1809 8.2414 8.2414 9.9382 9.9382 11.3735 11.3735 11.9425 11.9425 14.7157 14.7157 16.3044 16.3044 16.4750 16.4750 18.7550 18.7550 20.6006 20.6006 20.8219 20.8219 k = 0.2067 0.3580-0.0000 ( 1765 PWs) bands (ev): -3.4759 -3.4759 0.0430 0.0430 4.3919 4.3919 7.7320 7.7320 7.8262 7.8262 8.1209 8.1209 8.1836 8.1836 8.2473 8.2473 9.8180 9.8180 11.3073 11.3073 11.8637 11.8637 14.7998 14.7998 16.1349 16.1349 16.3690 16.3690 18.9557 18.9557 20.7194 20.7194 20.9333 20.9333 k = 0.2000 0.3464-0.0000 ( 1763 PWs) bands (ev): -3.5499 -3.5499 0.1743 0.1743 4.4721 4.4721 7.7278 7.7278 7.8301 7.8301 8.1218 8.1218 8.1867 8.1867 8.2535 8.2535 9.6985 9.6985 11.2442 11.2442 11.7858 11.7858 14.8779 14.8779 15.9176 15.9176 16.3017 16.3017 19.1492 19.1492 20.8388 20.8388 21.0276 21.0276 k = 0.1933 0.3349-0.0000 ( 1771 PWs) bands (ev): -3.6222 -3.6222 0.3081 0.3081 4.5533 4.5533 7.7240 7.7240 7.8343 7.8343 8.1228 8.1228 8.1902 8.1902 8.2600 8.2600 9.5798 9.5798 11.1842 11.1842 11.7090 11.7090 14.9412 14.9412 15.7070 15.7070 16.2317 16.2317 19.3182 19.3182 20.8928 20.8928 20.9991 20.9991 k = 0.1867 0.3233-0.0000 ( 1771 PWs) bands (ev): -3.6926 -3.6926 0.4444 0.4444 4.6354 4.6354 7.7207 7.7207 7.8392 7.8392 8.1239 8.1239 8.1942 8.1942 8.2668 8.2668 9.4619 9.4619 11.1274 11.1274 11.6333 11.6333 14.9652 14.9652 15.5351 15.5351 16.1544 16.1544 19.4393 19.4393 20.8278 20.8278 21.1166 21.1166 k = 0.1800 0.3118-0.0000 ( 1765 PWs) bands (ev): -3.7611 -3.7611 0.5831 0.5831 4.7178 4.7178 7.7180 7.7180 7.8447 7.8447 8.1248 8.1248 8.1987 8.1987 8.2739 8.2739 9.3450 9.3450 11.0738 11.0738 11.5591 11.5591 14.9033 14.9033 15.4505 15.4505 16.0700 16.0700 19.4889 19.4889 20.8269 20.8269 21.2519 21.2519 k = 0.1733 0.3002-0.0000 ( 1765 PWs) bands (ev): -3.8276 -3.8276 0.7243 0.7243 4.8001 4.8001 7.7160 7.7160 7.8508 7.8508 8.1256 8.1256 8.2038 8.2038 8.2809 8.2809 9.2293 9.2293 11.0232 11.0232 11.4865 11.4865 14.7487 14.7487 15.4602 15.4602 15.9797 15.9797 19.4617 19.4617 20.9062 20.9062 21.3933 21.3933 k = 0.1667 0.2887-0.0000 ( 1767 PWs) bands (ev): -3.8921 -3.8921 0.8678 0.8678 4.8820 4.8820 7.7146 7.7146 7.8577 7.8577 8.1261 8.1261 8.2093 8.2093 8.2876 8.2876 9.1152 9.1152 10.9756 10.9756 11.4157 11.4157 14.5490 14.5490 15.5150 15.5150 15.8863 15.8863 19.3768 19.3768 21.0462 21.0462 21.5398 21.5398 k = 0.1600 0.2771-0.0000 ( 1771 PWs) bands (ev): -3.9544 -3.9544 1.0135 1.0135 4.9631 4.9631 7.7140 7.7140 7.8652 7.8652 8.1261 8.1261 8.2154 8.2154 8.2936 8.2936 9.0035 9.0035 10.9309 10.9309 11.3471 11.3471 14.3340 14.3340 15.5751 15.5751 15.8003 15.8003 19.2592 19.2592 21.2208 21.2208 21.6916 21.6916 k = 0.1533 0.2656-0.0000 ( 1775 PWs) bands (ev): -4.0145 -4.0145 1.1614 1.1614 5.0428 5.0428 7.7141 7.7141 7.8734 7.8734 8.1253 8.1253 8.2217 8.2217 8.2980 8.2980 8.8955 8.8955 10.8890 10.8890 11.2809 11.2809 14.1152 14.1152 15.5802 15.5802 15.7717 15.7717 19.1262 19.1262 21.4113 21.4113 21.8486 21.8486 k = 0.1467 0.2540-0.0000 ( 1771 PWs) bands (ev): -4.0724 -4.0724 1.3115 1.3115 5.1208 5.1208 7.7149 7.7149 7.8821 7.8821 8.1233 8.1233 8.2278 8.2278 8.2998 8.2998 8.7939 8.7939 10.8496 10.8496 11.2175 11.2175 13.8972 13.8972 15.4963 15.4963 15.8300 15.8300 18.9883 18.9883 21.6064 21.6064 22.0105 22.0105 k = 0.1400 0.2425-0.0000 ( 1771 PWs) bands (ev): -4.1280 -4.1280 1.4635 1.4635 5.1966 5.1966 7.7164 7.7164 7.8907 7.8907 8.1190 8.1190 8.2318 8.2318 8.2978 8.2978 8.7029 8.7029 10.8124 10.8124 11.1575 11.1575 13.6824 13.6824 15.3813 15.3813 15.9157 15.9157 18.8511 18.8511 21.8001 21.8001 22.1764 22.1764 k = 0.1333 0.2309-0.0000 ( 1771 PWs) bands (ev): -4.1813 -4.1813 1.6174 1.6174 5.2698 5.2698 7.7185 7.7185 7.8981 7.8981 8.1100 8.1100 8.2289 8.2289 8.2940 8.2940 8.6289 8.6289 10.7769 10.7769 11.1014 11.1014 13.4721 13.4721 15.2550 15.2550 16.0082 16.0082 18.7181 18.7181 21.9894 21.9894 22.3446 22.3446 k = 0.1267 0.2194-0.0000 ( 1769 PWs) bands (ev): -4.2321 -4.2321 1.7732 1.7732 5.3399 5.3399 7.7211 7.7211 7.9012 7.9012 8.0922 8.0922 8.2138 8.2138 8.2952 8.2952 8.5781 8.5781 10.7425 10.7425 11.0501 11.0501 13.2675 13.2675 15.1214 15.1214 16.1028 16.1028 18.5911 18.5911 22.1737 22.1737 22.5129 22.5129 k = 0.1200 0.2078-0.0000 ( 1769 PWs) bands (ev): -4.2806 -4.2806 1.9305 1.9305 5.4065 5.4065 7.7239 7.7239 7.8914 7.8914 8.0634 8.0634 8.1939 8.1939 8.3041 8.3041 8.5508 8.5508 10.7085 10.7085 11.0045 11.0045 13.0692 13.0692 14.9824 14.9824 16.1978 16.1978 18.4712 18.4712 22.3533 22.3533 22.6795 22.6795 k = 0.1133 0.1963-0.0000 ( 1773 PWs) bands (ev): -4.3266 -4.3266 2.0894 2.0894 5.4693 5.4693 7.7269 7.7269 7.8519 7.8519 8.0378 8.0378 8.1799 8.1799 8.3184 8.3184 8.5414 8.5414 10.6741 10.6741 10.9656 10.9656 12.8781 12.8781 14.8389 14.8389 16.2922 16.2922 18.3592 18.3592 22.5294 22.5294 22.8443 22.8443 k = 0.1067 0.1848-0.0000 ( 1769 PWs) bands (ev): -4.3702 -4.3702 2.2496 2.2496 5.5280 5.5280 7.7293 7.7293 7.7757 7.7757 8.0304 8.0304 8.1722 8.1722 8.3367 8.3367 8.5433 8.5433 10.6384 10.6384 10.9344 10.9344 12.6946 12.6946 14.6918 14.6918 16.3852 16.3852 18.2552 18.2552 22.7029 22.7029 23.0077 23.0077 k = 0.1000 0.1732-0.0000 ( 1765 PWs) bands (ev): -4.4112 -4.4112 2.4108 2.4108 5.5822 5.5822 7.6715 7.6715 7.7350 7.7350 8.0362 8.0362 8.1680 8.1680 8.3583 8.3583 8.5520 8.5520 10.6012 10.6012 10.9114 10.9114 12.5195 12.5195 14.5419 14.5419 16.4764 16.4764 18.1592 18.1592 22.8746 22.8746 23.1703 23.1703 k = 0.0933 0.1617-0.0000 ( 1765 PWs) bands (ev): -4.4497 -4.4497 2.5729 2.5729 5.6317 5.6317 7.5571 7.5571 7.7375 7.7375 8.0475 8.0475 8.1655 8.1655 8.3830 8.3830 8.5652 8.5652 10.5626 10.5626 10.8968 10.8968 12.3531 12.3531 14.3902 14.3902 16.5651 16.5651 18.0713 18.0713 23.0450 23.0450 23.3320 23.3320 k = 0.0867 0.1501-0.0000 ( 1763 PWs) bands (ev): -4.4856 -4.4856 2.7356 2.7356 5.6764 5.6764 7.4346 7.4346 7.7405 7.7405 8.0610 8.0610 8.1641 8.1641 8.4106 8.4106 8.5812 8.5812 10.5228 10.5228 10.8903 10.8903 12.1961 12.1961 14.2377 14.2377 16.6509 16.6509 17.9911 17.9911 23.2142 23.2142 23.4925 23.4925 k = 0.0800 0.1386-0.0000 ( 1761 PWs) bands (ev): -4.5189 -4.5189 2.8985 2.8985 5.7161 5.7161 7.3075 7.3075 7.7433 7.7433 8.0749 8.0749 8.1633 8.1633 8.4408 8.4408 8.5990 8.5990 10.4824 10.4824 10.8915 10.8915 12.0490 12.0490 14.0852 14.0852 16.7332 16.7332 17.9185 17.9185 23.3821 23.3821 23.6505 23.6505 k = 0.0733 0.1270-0.0000 ( 1763 PWs) bands (ev): -4.5497 -4.5497 3.0611 3.0611 5.7505 5.7505 7.1776 7.1776 7.7460 7.7460 8.0885 8.0885 8.1629 8.1629 8.4730 8.4730 8.6180 8.6180 10.4422 10.4422 10.8998 10.8998 11.9123 11.9123 13.9341 13.9341 16.8115 16.8115 17.8530 17.8530 23.5483 23.5483 23.8041 23.8041 k = 0.0667 0.1155-0.0000 ( 1767 PWs) bands (ev): -4.5778 -4.5778 3.2229 3.2229 5.7795 5.7795 7.0464 7.0464 7.7484 7.7484 8.1012 8.1012 8.1627 8.1627 8.5067 8.5067 8.6375 8.6375 10.4028 10.4028 10.9146 10.9146 11.7864 11.7864 13.7853 13.7853 16.8853 16.8853 17.7945 17.7945 23.7120 23.7120 23.9504 23.9504 k = 0.0600 0.1039-0.0000 ( 1763 PWs) bands (ev): -4.6033 -4.6033 3.3833 3.3833 5.8026 5.8026 6.9155 6.9155 7.7506 7.7506 8.1128 8.1128 8.1628 8.1628 8.5410 8.5410 8.6572 8.6572 10.3645 10.3645 10.9351 10.9351 11.6720 11.6720 13.6404 13.6404 16.9541 16.9541 17.7425 17.7425 23.8716 23.8716 24.0851 24.0851 k = 0.0533 0.0924-0.0000 ( 1767 PWs) bands (ev): -4.6261 -4.6261 3.5414 3.5414 5.8194 5.8194 6.7868 6.7868 7.7525 7.7525 8.1229 8.1229 8.1632 8.1632 8.5750 8.5750 8.6765 8.6765 10.3280 10.3280 10.9605 10.9605 11.5695 11.5695 13.5006 13.5006 17.0173 17.0173 17.6968 17.6968 24.0244 24.0244 24.2045 24.2045 k = 0.0467 0.0808-0.0000 ( 1771 PWs) bands (ev): -4.6463 -4.6463 3.6958 3.6958 5.8289 5.8289 6.6628 6.6628 7.7542 7.7542 8.1315 8.1315 8.1639 8.1639 8.6078 8.6078 8.6951 8.6951 10.2938 10.2938 10.9895 10.9895 11.4796 11.4796 13.3679 13.3679 17.0745 17.0745 17.6571 17.6571 24.1640 24.1640 24.3092 24.3092 k = 0.0400 0.0693-0.0000 ( 1779 PWs) bands (ev): -4.6638 -4.6638 3.8448 3.8448 5.8296 5.8296 6.5468 6.5468 7.7556 7.7556 8.1385 8.1385 8.1649 8.1649 8.6384 8.6384 8.7125 8.7125 10.2624 10.2624 11.0202 11.0202 11.4031 11.4031 13.2440 13.2440 17.1253 17.1253 17.6232 17.6232 24.2757 24.2757 24.4105 24.4105 k = 0.0333 0.0577-0.0000 ( 1783 PWs) bands (ev): -4.6787 -4.6787 3.9862 3.9862 5.8199 5.8199 6.4432 6.4432 7.7568 7.7568 8.1438 8.1438 8.1664 8.1664 8.6660 8.6660 8.7283 8.7283 10.2343 10.2343 11.0499 11.0499 11.3411 11.3411 13.1313 13.1313 17.1690 17.1690 17.5949 17.5949 24.3459 24.3459 24.5116 24.5116 k = 0.0267 0.0462-0.0000 ( 1783 PWs) bands (ev): -4.6908 -4.6908 4.1164 4.1164 5.7986 5.7986 6.3572 6.3572 7.7578 7.7578 8.1476 8.1476 8.1682 8.1682 8.6898 8.6898 8.7420 8.7420 10.2102 10.2102 11.0749 11.0749 11.2955 11.2955 13.0326 13.0326 17.2054 17.2054 17.5719 17.5719 24.3834 24.3834 24.5137 24.5137 k = 0.0200 0.0346-0.0000 ( 1783 PWs) bands (ev): -4.7003 -4.7003 4.2304 4.2304 5.7669 5.7669 6.2923 6.2923 7.7585 7.7585 8.1500 8.1500 8.1701 8.1701 8.7089 8.7089 8.7534 8.7534 10.1907 10.1907 11.0908 11.0908 11.2681 11.2681 12.9509 12.9509 17.2341 17.2341 17.5542 17.5542 24.4008 24.4008 24.5019 24.5019 k = 0.0133 0.0231-0.0000 ( 1783 PWs) bands (ev): -4.7070 -4.7070 4.3214 4.3214 5.7314 5.7314 6.2491 6.2491 7.7591 7.7591 8.1514 8.1514 8.1718 8.1718 8.7228 8.7228 8.7619 8.7619 10.1762 10.1762 11.0961 11.0961 11.2575 11.2575 12.8893 12.8893 17.2548 17.2548 17.5417 17.5417 24.4063 24.4063 24.4962 24.4962 k = 0.0067 0.0115-0.0000 ( 1783 PWs) bands (ev): -4.7111 -4.7111 4.3812 4.3812 5.7028 5.7028 6.2253 6.2253 7.7594 7.7594 8.1521 8.1521 8.1730 8.1730 8.7313 8.7313 8.7672 8.7672 10.1674 10.1674 11.0953 11.0953 11.2565 11.2565 12.8508 12.8508 17.2673 17.2673 17.5342 17.5342 24.4067 24.4067 24.4943 24.4943 k = 0.0000 0.0000 0.0000 ( 1783 PWs) bands (ev): -4.7124 -4.7124 4.4022 4.4022 5.6918 5.6918 6.2177 6.2177 7.7595 7.7595 8.1524 8.1524 8.1733 8.1733 8.7342 8.7342 8.7690 8.7690 10.1644 10.1644 11.0943 11.0943 11.2572 11.2572 12.8377 12.8377 17.2715 17.2715 17.5317 17.5317 24.4064 24.4064 24.4939 24.4939 k = 0.0000 0.0000 0.0000 ( 1783 PWs) bands (ev): -4.7124 -4.7124 4.4022 4.4022 5.6918 5.6918 6.2177 6.2177 7.7595 7.7595 8.1524 8.1524 8.1733 8.1733 8.7342 8.7342 8.7690 8.7690 10.1644 10.1644 11.0943 11.0943 11.2572 11.2572 12.8377 12.8377 17.2715 17.2715 17.5317 17.5317 24.4064 24.4064 24.4939 24.4939 k = 0.0000 0.0000 0.0133 ( 1783 PWs) bands (ev): -4.7115 -4.7115 4.4032 4.4032 5.6926 5.6926 6.2186 6.2186 7.7594 7.7594 8.1517 8.1517 8.1727 8.1727 8.7338 8.7338 8.7686 8.7686 10.1549 10.1549 11.0907 11.0907 11.2592 11.2592 12.8482 12.8482 17.2637 17.2637 17.5409 17.5409 24.3657 24.3657 24.4535 24.4535 k = 0.0000 0.0000 0.0265 ( 1783 PWs) bands (ev): -4.7088 -4.7088 4.4064 4.4064 5.6951 5.6951 6.2212 6.2212 7.7590 7.7590 8.1496 8.1496 8.1709 8.1709 8.7328 8.7328 8.7676 8.7676 10.1262 10.1262 11.0811 11.0811 11.2652 11.2652 12.8787 12.8787 17.2403 17.2403 17.5683 17.5683 24.2562 24.2562 24.3446 24.3446 k = 0.0000 0.0000 0.0398 ( 1783 PWs) bands (ev): -4.7042 -4.7042 4.4116 4.4116 5.6993 5.6993 6.2255 6.2255 7.7583 7.7583 8.1462 8.1462 8.1679 8.1679 8.7311 8.7311 8.7659 8.7659 10.0782 10.0782 11.0686 11.0686 11.2752 11.2752 12.9265 12.9265 17.2017 17.2017 17.6140 17.6140 24.1020 24.1020 24.1909 24.1909 k = 0.0000 0.0000 0.0530 ( 1777 PWs) bands (ev): -4.6977 -4.6977 4.4189 4.4189 5.7052 5.7052 6.2316 6.2316 7.7574 7.7574 8.1414 8.1414 8.1637 8.1637 8.7287 8.7287 8.7634 8.7634 10.0108 10.0108 11.0569 11.0569 11.2892 11.2892 12.9882 12.9882 17.1484 17.1484 17.6775 17.6775 23.9226 23.9226 24.0118 24.0118 k = 0.0000 0.0000 0.0663 ( 1777 PWs) bands (ev): -4.6895 -4.6895 4.4282 4.4282 5.7127 5.7127 6.2393 6.2393 7.7559 7.7559 8.1351 8.1351 8.1584 8.1584 8.7257 8.7257 8.7603 8.7603 9.9250 9.9250 11.0491 11.0491 11.3070 11.3070 13.0600 13.0600 17.0812 17.0812 17.7587 17.7587 23.7297 23.7297 23.8187 23.8187 k = 0.0000 0.0000 0.0796 ( 1777 PWs) bands (ev): -4.6795 -4.6795 4.4396 4.4396 5.7218 5.7218 6.2488 6.2488 7.7538 7.7538 8.1274 8.1274 8.1519 8.1519 8.7220 8.7220 8.7564 8.7564 9.8228 9.8228 11.0474 11.0474 11.3287 11.3287 13.1386 13.1386 17.0010 17.0010 17.8569 17.8569 23.5297 23.5297 23.6185 23.6185 k = 0.0000 0.0000 0.0928 ( 1777 PWs) bands (ev): -4.6677 -4.6677 4.4530 4.4530 5.7326 5.7326 6.2599 6.2599 7.7510 7.7510 8.1179 8.1179 8.1445 8.1445 8.7175 8.7175 8.7519 8.7519 9.7068 9.7068 11.0524 11.0524 11.3541 11.3541 13.2213 13.2213 16.9088 16.9088 17.9718 17.9718 23.3266 23.3266 23.4149 23.4149 k = 0.0000 0.0000 0.1061 ( 1777 PWs) bands (ev): -4.6541 -4.6541 4.4685 4.4685 5.7450 5.7450 6.2728 6.2728 7.7472 7.7472 8.1066 8.1066 8.1360 8.1360 8.7125 8.7125 8.7466 8.7466 9.5801 9.5801 11.0644 11.0644 11.3833 11.3833 13.3060 13.3060 16.8055 16.8055 18.1025 18.1025 23.1225 23.1225 23.2102 23.2102 k = 0.0000 0.0000 0.1194 ( 1777 PWs) bands (ev): -4.6389 -4.6389 4.4859 4.4859 5.7590 5.7590 6.2873 6.2873 7.7420 7.7420 8.0932 8.0932 8.1267 8.1267 8.7067 8.7067 8.7406 8.7406 9.4459 9.4459 11.0828 11.0828 11.4161 11.4161 13.3911 13.3911 16.6924 16.6924 18.2482 18.2482 22.9190 22.9190 23.0059 23.0059 k = 0.0000 0.0000 0.1326 ( 1765 PWs) bands (ev): -4.6219 -4.6219 4.5053 4.5053 5.7746 5.7746 6.3034 6.3034 7.7350 7.7350 8.0772 8.0772 8.1165 8.1165 8.7003 8.7003 8.7340 8.7340 9.3076 9.3076 11.1073 11.1073 11.4523 11.4523 13.4755 13.4755 16.5704 16.5704 18.4081 18.4081 22.7171 22.7171 22.8031 22.8031 k = 0.0000 0.0000 0.1459 ( 1765 PWs) bands (ev): -4.6033 -4.6033 4.5267 4.5267 5.7916 5.7916 6.3212 6.3212 7.7255 7.7255 8.0580 8.0580 8.1056 8.1056 8.6932 8.6932 8.7266 8.7266 9.1683 9.1683 11.1371 11.1371 11.4921 11.4921 13.5587 13.5587 16.4407 16.4407 18.5811 18.5811 22.5173 22.5173 22.6022 22.6022 k = 0.0000 0.0000 0.1591 ( 1777 PWs) bands (ev): -4.5830 -4.5830 4.5499 4.5499 5.8102 5.8102 6.3405 6.3405 7.7123 7.7123 8.0347 8.0347 8.0939 8.0939 8.6853 8.6853 8.7184 8.7184 9.0317 9.0317 11.1719 11.1719 11.5351 11.5351 13.6402 13.6402 16.3043 16.3043 18.7659 18.7659 22.3202 22.3202 22.4040 22.4040 k = 0.0000 0.0000 0.1724 ( 1777 PWs) bands (ev): -4.5612 -4.5612 4.5750 4.5750 5.8303 5.8303 6.3614 6.3614 7.6936 7.6936 8.0068 8.0068 8.0816 8.0816 8.6768 8.6768 8.7095 8.7095 8.9017 8.9017 11.2111 11.2111 11.5813 11.5813 13.7199 13.7199 16.1621 16.1621 18.9614 18.9614 22.1261 22.1261 22.2086 22.2086 k = 0.0000 0.0000 0.1857 ( 1777 PWs) bands (ev): -4.5379 -4.5379 4.6019 4.6019 5.8518 5.8518 6.3838 6.3838 7.6667 7.6667 7.9741 7.9741 8.0688 8.0688 8.6676 8.6676 8.6999 8.6999 8.7825 8.7825 11.2544 11.2544 11.6307 11.6307 13.7979 13.7979 16.0150 16.0150 19.1661 19.1661 21.9353 21.9353 22.0164 22.0164 k = 0.0000 0.0000 0.1989 ( 1777 PWs) bands (ev): -4.5131 -4.5131 4.6307 4.6307 5.8746 5.8746 6.4077 6.4077 7.6272 7.6272 7.9378 7.9378 8.0556 8.0556 8.6577 8.6577 8.6781 8.6781 8.6896 8.6896 11.3014 11.3014 11.6830 11.6830 13.8742 13.8742 15.8640 15.8640 19.3781 19.3781 21.7481 21.7481 21.8277 21.8277 k = 0.0000 0.0000 0.2122 ( 1777 PWs) bands (ev): -4.4868 -4.4868 4.6611 4.6611 5.8988 5.8988 6.4331 6.4331 7.5699 7.5699 7.9012 7.9012 8.0420 8.0420 8.5914 8.5914 8.6470 8.6470 8.6785 8.6785 11.3518 11.3518 11.7383 11.7383 13.9491 13.9491 15.7099 15.7099 19.5955 19.5955 21.5646 21.5646 21.6427 21.6427 k = 0.0000 0.0000 0.2255 ( 1771 PWs) bands (ev): -4.4593 -4.4593 4.6932 4.6932 5.9244 5.9244 6.4599 6.4599 7.4911 7.4911 7.8680 7.8680 8.0281 8.0281 8.5232 8.5232 8.6357 8.6357 8.6666 8.6666 11.4054 11.4054 11.7963 11.7963 14.0229 14.0229 15.5533 15.5533 19.8155 19.8155 21.3850 21.3850 21.4615 21.4615 k = 0.0000 0.0000 0.2387 ( 1771 PWs) bands (ev): -4.4304 -4.4304 4.7269 4.7269 5.9511 5.9511 6.4881 6.4881 7.3908 7.3908 7.8400 7.8400 8.0140 8.0140 8.4718 8.4718 8.6235 8.6235 8.6540 8.6540 11.4620 11.4620 11.8570 11.8570 14.0958 14.0958 15.3950 15.3950 20.0342 20.0342 21.2095 21.2095 21.2842 21.2842 k = 0.0000 0.0000 0.2520 ( 1759 PWs) bands (ev): -4.4003 -4.4003 4.7621 4.7621 5.9791 5.9791 6.5176 6.5176 7.2730 7.2730 7.8172 7.8172 7.9998 7.9998 8.4345 8.4345 8.6106 8.6106 8.6407 8.6407 11.5213 11.5213 11.9202 11.9202 14.1681 14.1681 15.2355 15.2355 20.2459 20.2459 21.0382 21.0382 21.1111 21.1111 k = 0.0000 0.0000 0.2652 ( 1741 PWs) bands (ev): -4.3692 -4.3692 4.7988 4.7988 6.0082 6.0082 6.5485 6.5485 7.1425 7.1425 7.7980 7.7980 7.9856 7.9856 8.4081 8.4081 8.5970 8.5970 8.6267 8.6267 11.5832 11.5832 11.9858 11.9858 14.2401 14.2401 15.0756 15.0756 20.4412 20.4412 20.8713 20.8713 20.9422 20.9422 k = 0.0000 0.0000 0.2785 ( 1741 PWs) bands (ev): -4.3370 -4.3370 4.8368 4.8368 6.0383 6.0383 6.5806 6.5806 7.0036 7.0036 7.7812 7.7812 7.9712 7.9712 8.3899 8.3899 8.5826 8.5826 8.6119 8.6119 11.6475 11.6475 12.0537 12.0537 14.3121 14.3121 14.9156 14.9156 20.6031 20.6031 20.7088 20.7088 20.7777 20.7777 k = 0.0000 0.0000 0.2918 ( 1753 PWs) bands (ev): -4.3039 -4.3039 4.8761 4.8761 6.0694 6.0694 6.6138 6.6138 6.8597 6.8597 7.7660 7.7660 7.9568 7.9568 8.3778 8.3778 8.5673 8.5673 8.5964 8.5964 11.7139 11.7139 12.1238 12.1238 14.3842 14.3842 14.7562 14.7562 20.5509 20.5509 20.6177 20.6177 20.6971 20.6971 k = 0.0000 0.0000 0.3050 ( 1765 PWs) bands (ev): -4.2699 -4.2699 4.9166 4.9166 6.1014 6.1014 6.6482 6.6482 6.7130 6.7130 7.7519 7.7519 7.9425 7.9425 8.3703 8.3703 8.5512 8.5512 8.5802 8.5802 11.7823 11.7823 12.1959 12.1959 14.4569 14.4569 14.5978 14.5978 20.3976 20.3976 20.4623 20.4623 20.6709 20.6709 k = 0.0000 0.0000 0.3183 ( 1765 PWs) bands (ev): -4.2352 -4.2352 4.9582 4.9582 6.1343 6.1343 6.5655 6.5655 6.6837 6.6837 7.7386 7.7386 7.9284 7.9284 8.3664 8.3664 8.5342 8.5342 8.5632 8.5632 11.8526 11.8526 12.2700 12.2700 14.4409 14.4409 14.5301 14.5301 20.2491 20.2491 20.3116 20.3116 20.5441 20.5441 k = 0.0000 0.0000 0.3316 ( 1765 PWs) bands (ev): -4.2000 -4.2000 5.0007 5.0007 6.1678 6.1678 6.4185 6.4185 6.7202 6.7202 7.7258 7.7258 7.9145 7.9145 8.3653 8.3653 8.5165 8.5165 8.5456 8.5456 11.9246 11.9246 12.3457 12.3457 14.2859 14.2859 14.6043 14.6043 20.1055 20.1055 20.1658 20.1658 20.3815 20.3815 k = 0.0000 0.0000 0.3448 ( 1765 PWs) bands (ev): -4.1642 -4.1642 5.0440 5.0440 6.2021 6.2021 6.2729 6.2729 6.7577 6.7577 7.7135 7.7135 7.9009 7.9009 8.3663 8.3663 8.4978 8.4978 8.5274 8.5274 11.9980 11.9980 12.4231 12.4231 14.1332 14.1332 14.6794 14.6794 19.9669 19.9669 20.0249 20.0249 20.2093 20.2093 k = 0.0000 0.0000 0.3581 ( 1765 PWs) bands (ev): -4.1281 -4.1281 5.0880 5.0880 6.1295 6.1295 6.2368 6.2368 6.7961 6.7961 7.7016 7.7016 7.8875 7.8875 8.3689 8.3689 8.4783 8.4783 8.5085 8.5085 12.0727 12.0727 12.5020 12.5020 13.9831 13.9831 14.7558 14.7558 19.8333 19.8333 19.8890 19.8890 20.0353 20.0353 k = 0.0000 0.0000 0.3713 ( 1765 PWs) bands (ev): -4.0918 -4.0918 5.1326 5.1326 5.9890 5.9890 6.2720 6.2720 6.8353 6.8353 7.6899 7.6899 7.8745 7.8745 8.3728 8.3728 8.4579 8.4579 8.4891 8.4891 12.1484 12.1484 12.5820 12.5820 13.8361 13.8361 14.8335 14.8335 19.7050 19.7050 19.7583 19.7583 19.8625 19.8625 k = 0.0000 0.0000 0.3846 ( 1771 PWs) bands (ev): -4.0554 -4.0554 5.1774 5.1774 5.8520 5.8520 6.3075 6.3075 6.8753 6.8753 7.6786 7.6786 7.8618 7.8618 8.3777 8.3777 8.4367 8.4367 8.4691 8.4691 12.2251 12.2251 12.6631 12.6631 13.6926 13.6926 14.9126 14.9126 19.5819 19.5819 19.6328 19.6328 19.6920 19.6920 k = 0.0000 0.0000 0.3979 ( 1771 PWs) bands (ev): -4.0192 -4.0192 5.2225 5.2225 5.7188 5.7188 6.3431 6.3431 6.9159 6.9159 7.6677 7.6677 7.8495 7.8495 8.3834 8.3834 8.4145 8.4145 8.4487 8.4487 12.3023 12.3023 12.7451 12.7451 13.5528 13.5528 14.9932 14.9932 19.4641 19.4641 19.5127 19.5127 19.5249 19.5249 k = 0.0000 0.0000 0.4111 ( 1771 PWs) bands (ev): -3.9832 -3.9832 5.2676 5.2676 5.5900 5.5900 6.3788 6.3788 6.9571 6.9571 7.6572 7.6572 7.8377 7.8377 8.3896 8.3896 8.3914 8.3914 8.4278 8.4278 12.3800 12.3800 12.8277 12.8277 13.4172 13.4172 15.0754 15.0754 19.3518 19.3518 19.3615 19.3615 19.3980 19.3980 k = 0.0000 0.0000 0.4244 ( 1771 PWs) bands (ev): -3.9476 -3.9476 5.3124 5.3124 5.4658 5.4658 6.4144 6.4144 6.9989 6.9989 7.6471 7.6471 7.8263 7.8263 8.3675 8.3675 8.3962 8.3962 8.4067 8.4067 12.4577 12.4577 12.9106 12.9106 13.2861 13.2861 15.1592 15.1592 19.2024 19.2024 19.2450 19.2450 19.2889 19.2889 k = 0.0000 0.0000 0.4377 ( 1771 PWs) bands (ev): -3.9127 -3.9127 5.3467 5.3467 5.3568 5.3568 6.4498 6.4498 7.0411 7.0411 7.6374 7.6374 7.8153 7.8153 8.3427 8.3427 8.3853 8.3853 8.4030 8.4030 12.5352 12.5352 12.9935 12.9935 13.1599 13.1599 15.2446 15.2446 19.0481 19.0481 19.1438 19.1438 19.1854 19.1854 k = 0.0000 0.0000 0.4509 ( 1759 PWs) bands (ev): -3.8785 -3.8785 5.2330 5.2330 5.4005 5.4005 6.4847 6.4847 7.0836 7.0836 7.6283 7.6283 7.8049 7.8049 8.3171 8.3171 8.3638 8.3638 8.4100 8.4100 12.6121 12.6121 13.0389 13.0389 13.0761 13.0761 15.3316 15.3316 18.8989 18.8989 19.0483 19.0483 19.0875 19.0875 k = 0.0000 0.0000 0.4642 ( 1753 PWs) bands (ev): -3.8453 -3.8453 5.1249 5.1249 5.4433 5.4433 6.5189 6.5189 7.1263 7.1263 7.6195 7.6195 7.7950 7.7950 8.2906 8.2906 8.3423 8.3423 8.4170 8.4170 12.6881 12.6881 12.9234 12.9234 13.1581 13.1581 15.4202 15.4202 18.7552 18.7552 18.9586 18.9586 18.9665 18.9665 k = 0.0000 0.0000 0.4774 ( 1741 PWs) bands (ev): -3.8133 -3.8133 5.0228 5.0228 5.4850 5.4850 6.5524 6.5524 7.1693 7.1693 7.6114 7.6114 7.7856 7.7856 8.2634 8.2634 8.3209 8.3209 8.4239 8.4239 12.7627 12.7627 12.8138 12.8138 13.2389 13.2389 15.5102 15.5102 18.6175 18.6175 18.8207 18.8207 18.8747 18.8747 k = 0.0000 0.0000 0.4907 ( 1747 PWs) bands (ev): -3.7826 -3.7826 4.9270 4.9270 5.5251 5.5251 6.5849 6.5849 7.2122 7.2122 7.6036 7.6036 7.7765 7.7765 8.2354 8.2354 8.2999 8.2999 8.4305 8.4305 12.7105 12.7105 12.8355 12.8355 13.3181 13.3181 15.6015 15.6015 18.4864 18.4864 18.6812 18.6812 18.7967 18.7967 k = 0.0000 0.0000 0.5040 ( 1747 PWs) bands (ev): -3.7535 -3.7535 4.8377 4.8377 5.5635 5.5635 6.6161 6.6161 7.2550 7.2550 7.5964 7.5964 7.7680 7.7680 8.2069 8.2069 8.2793 8.2793 8.4369 8.4369 12.6138 12.6138 12.9060 12.9060 13.3952 13.3952 15.6938 15.6938 18.3624 18.3624 18.5487 18.5487 18.7247 18.7247 k = 0.0000 0.0000 0.5172 ( 1747 PWs) bands (ev): -3.7262 -3.7262 4.7552 4.7552 5.5999 5.5999 6.6459 6.6459 7.2976 7.2976 7.5898 7.5898 7.7600 7.7600 8.1778 8.1778 8.2593 8.2593 8.4430 8.4430 12.5241 12.5241 12.9737 12.9737 13.4695 13.4695 15.7868 15.7868 18.2460 18.2460 18.4237 18.4237 18.6588 18.6588 k = 0.0000 0.0000 0.5305 ( 1748 PWs) bands (ev): -3.7008 -3.7008 4.6798 4.6798 5.6340 5.6340 6.6739 6.6739 7.3398 7.3398 7.5837 7.5837 7.7523 7.7523 8.1484 8.1484 8.2402 8.2402 8.4486 8.4486 12.4417 12.4417 13.0378 13.0378 13.5404 13.5404 15.8799 15.8799 18.1379 18.1379 18.3070 18.3070 18.5989 18.5989 k = 0.0000 0.0000 0.5437 ( 1742 PWs) bands (ev): -3.6775 -3.6775 4.6116 4.6116 5.6654 5.6654 6.7000 6.7000 7.3815 7.3815 7.5783 7.5783 7.7449 7.7449 8.1188 8.1188 8.2223 8.2223 8.4539 8.4539 12.3668 12.3668 13.0978 13.0978 13.6071 13.6071 15.9726 15.9726 18.0388 18.0388 18.1993 18.1993 18.5452 18.5452 k = 0.0000 0.0000 0.5570 ( 1754 PWs) bands (ev): -3.6565 -3.6565 4.5509 4.5509 5.6940 5.6940 6.7238 6.7238 7.4223 7.4223 7.5735 7.5735 7.7377 7.7377 8.0894 8.0894 8.2055 8.2055 8.4585 8.4585 12.3000 12.3000 13.1530 13.1530 13.6689 13.6689 16.0638 16.0638 17.9495 17.9495 18.1014 18.1014 18.4417 18.4417 k = 0.0000 0.0000 0.5703 ( 1766 PWs) bands (ev): -3.6379 -3.6379 4.4978 4.4978 5.7194 5.7194 6.7451 6.7451 7.4621 7.4621 7.5692 7.5692 7.7303 7.7303 8.0605 8.0605 8.1904 8.1904 8.4627 8.4627 12.2414 12.2414 13.2028 13.2028 13.7248 13.7248 16.1522 16.1522 17.8707 17.8707 18.0141 18.0141 18.3147 18.3147 k = 0.0000 0.0000 0.5835 ( 1772 PWs) bands (ev): -3.6220 -3.6220 4.4526 4.4526 5.7414 5.7414 6.7637 6.7637 7.5005 7.5005 7.5655 7.5655 7.7227 7.7227 8.0329 8.0329 8.1771 8.1771 8.4662 8.4662 12.1913 12.1913 13.2464 13.2464 13.7741 13.7741 16.2361 16.2361 17.8033 17.8033 17.9383 17.9383 18.1973 18.1973 k = 0.0000 0.0000 0.5968 ( 1772 PWs) bands (ev): -3.6087 -3.6087 4.4154 4.4154 5.7597 5.7597 6.7793 6.7793 7.5372 7.5372 7.5626 7.5626 7.7143 7.7143 8.0074 8.0074 8.1658 8.1658 8.4692 8.4692 12.1499 12.1499 13.2831 13.2831 13.8159 13.8159 16.3129 16.3129 17.7480 17.7480 17.8748 17.8748 18.0920 18.0920 k = 0.0000 0.0000 0.6101 ( 1778 PWs) bands (ev): -3.5983 -3.5983 4.3863 4.3863 5.7742 5.7742 6.7917 6.7917 7.5603 7.5603 7.5715 7.5715 7.7045 7.7045 7.9851 7.9851 8.1568 8.1568 8.4714 8.4714 12.1175 12.1175 13.3124 13.3124 13.8494 13.8494 16.3794 16.3794 17.7055 17.7055 17.8245 17.8245 18.0020 18.0020 k = 0.0000 0.0000 0.6233 ( 1778 PWs) bands (ev): -3.5908 -3.5908 4.3655 4.3655 5.7847 5.7847 6.8006 6.8006 7.5587 7.5587 7.6027 7.6027 7.6925 7.6925 7.9674 7.9674 8.1503 8.1503 8.4730 8.4730 12.0943 12.0943 13.3337 13.3337 13.8739 13.8739 16.4316 16.4316 17.6760 17.6760 17.7880 17.7880 17.9318 17.9318 k = 0.0000 0.0000 0.6366 ( 1778 PWs) bands (ev): -3.5862 -3.5862 4.3529 4.3529 5.7910 5.7910 6.8061 6.8061 7.5577 7.5577 7.6296 7.6296 7.6780 7.6780 7.9559 7.9559 8.1463 8.1463 8.4741 8.4741 12.0803 12.0803 13.3467 13.3467 13.8888 13.8888 16.4652 16.4652 17.6591 17.6591 17.7659 17.7659 17.8864 17.8864 k = 0.0000 0.0000 0.6498 ( 1778 PWs) bands (ev): -3.5847 -3.5847 4.3488 4.3488 5.7931 5.7931 6.8079 6.8079 7.5573 7.5573 7.6455 7.6455 7.6665 7.6665 7.9519 7.9519 8.1449 8.1449 8.4744 8.4744 12.0756 12.0756 13.3511 13.3511 13.8938 13.8938 16.4769 16.4769 17.6536 17.6536 17.7584 17.7584 17.8705 17.8705 k = 0.0000 0.0000 0.6498 ( 1778 PWs) bands (ev): -3.5847 -3.5847 4.3488 4.3488 5.7931 5.7931 6.8079 6.8079 7.5573 7.5573 7.6455 7.6455 7.6665 7.6665 7.9519 7.9519 8.1449 8.1449 8.4744 8.4744 12.0756 12.0756 13.3511 13.3511 13.8938 13.8938 16.4769 16.4769 17.6536 17.6536 17.7584 17.7584 17.8705 17.8705 k = 0.0116 0.0067 0.6498 ( 1778 PWs) bands (ev): -3.5834 -3.5834 4.3502 4.3502 5.7663 5.7663 6.8204 6.8204 7.5298 7.5298 7.6692 7.6692 7.6829 7.6829 7.9530 7.9530 8.1447 8.1447 8.4745 8.4745 12.0722 12.0722 13.3502 13.3502 13.8914 13.8914 16.4885 16.4885 17.5610 17.5610 17.6945 17.6945 17.9776 17.9776 k = 0.0233 0.0134 0.6498 ( 1774 PWs) bands (ev): -3.5794 -3.5794 4.3546 4.3546 5.6916 5.6916 6.8510 6.8510 7.4891 7.4891 7.6772 7.6772 7.7541 7.7541 7.9565 7.9565 8.1442 8.1442 8.4750 8.4750 12.0621 12.0621 13.3470 13.3470 13.8849 13.8849 16.5227 16.5227 17.3765 17.3765 17.6226 17.6226 18.0884 18.0884 k = 0.0349 0.0201 0.6498 ( 1770 PWs) bands (ev): -3.5728 -3.5728 4.3619 4.3619 5.5815 5.5815 6.8845 6.8845 7.4565 7.4565 7.6900 7.6900 7.8400 7.8400 7.9635 7.9635 8.1434 8.1434 8.4759 8.4759 12.0452 12.0452 13.3403 13.3403 13.8770 13.8770 16.5779 16.5779 17.1796 17.1796 17.5347 17.5347 18.1597 18.1597 k = 0.0465 0.0269 0.6498 ( 1770 PWs) bands (ev): -3.5636 -3.5636 4.3721 4.3721 5.4475 5.4475 6.9069 6.9069 7.4365 7.4365 7.7065 7.7065 7.9314 7.9314 7.9815 7.9815 8.1422 8.1422 8.4774 8.4774 12.0217 12.0217 13.3284 13.3284 13.8711 13.8711 16.6498 16.6498 16.9855 16.9855 17.4368 17.4368 18.2144 18.2144 k = 0.0581 0.0336 0.6498 ( 1766 PWs) bands (ev): -3.5517 -3.5517 4.3852 4.3852 5.2981 5.2981 6.9105 6.9105 7.4296 7.4296 7.7251 7.7251 7.9730 7.9730 8.0654 8.0654 8.1409 8.1409 8.4801 8.4801 11.9916 11.9916 13.3095 13.3095 13.8714 13.8714 16.7046 16.7046 16.8292 16.8292 17.3342 17.3342 18.2675 18.2675 k = 0.0698 0.0403 0.6498 ( 1766 PWs) bands (ev): -3.5372 -3.5372 4.4011 4.4011 5.1386 5.1386 6.8951 6.8951 7.4333 7.4333 7.7438 7.7438 7.9919 7.9919 8.1381 8.1381 8.1871 8.1871 8.4854 8.4854 11.9550 11.9550 13.2826 13.2826 13.8809 13.8809 16.5716 16.5716 16.8802 16.8802 17.2302 17.2302 18.3247 18.3247 k = 0.0814 0.0470 0.6498 ( 1762 PWs) bands (ev): -3.5201 -3.5201 4.4198 4.4198 4.9727 4.9727 6.8647 6.8647 7.4435 7.4435 7.7607 7.7607 8.0129 8.0129 8.1365 8.1365 8.3114 8.3114 8.4990 8.4990 11.9122 11.9122 13.2482 13.2482 13.9017 13.9017 16.3905 16.3905 16.9954 16.9954 17.1291 17.1291 18.3884 18.3884 k = 0.0930 0.0537 0.6498 ( 1762 PWs) bands (ev): -3.5004 -3.5004 4.4412 4.4412 4.8028 4.8028 6.8240 6.8240 7.4570 7.4570 7.7744 7.7744 8.0376 8.0376 8.1344 8.1344 8.4089 8.4089 8.5473 8.5473 11.8632 11.8632 13.2081 13.2081 13.9342 13.9342 16.2106 16.2106 17.0124 17.0124 17.1435 17.1435 18.4592 18.4592 k = 0.1047 0.0604 0.6498 ( 1760 PWs) bands (ev): -3.4781 -3.4781 4.4644 4.4644 4.6312 4.6312 6.7766 6.7766 7.4720 7.4720 7.7846 7.7846 8.0656 8.0656 8.1322 8.1322 8.4455 8.4455 8.6610 8.6610 11.8082 11.8082 13.1650 13.1650 13.9778 13.9778 16.0356 16.0356 16.9138 16.9138 17.2864 17.2864 18.5375 18.5375 k = 0.1163 0.0671 0.6498 ( 1760 PWs) bands (ev): -3.4533 -3.4533 4.4443 4.4443 4.5041 4.5041 6.7250 6.7250 7.4876 7.4876 7.7913 7.7913 8.0960 8.0960 8.1299 8.1299 8.4568 8.4568 8.8016 8.8016 11.7475 11.7475 13.1217 13.1217 14.0318 14.0318 15.8665 15.8665 16.8136 16.8136 17.4420 17.4420 18.6233 18.6233 k = 0.1279 0.0738 0.6498 ( 1760 PWs) bands (ev): -3.4258 -3.4258 4.2762 4.2762 4.5271 4.5271 6.6709 6.6709 7.5035 7.5035 7.7949 7.7949 8.1267 8.1267 8.1287 8.1287 8.4624 8.4624 8.9470 8.9470 11.6811 11.6811 13.0811 13.0811 14.0951 14.0951 15.7037 15.7037 16.7150 16.7150 17.6060 17.6060 18.7165 18.7165 k = 0.1395 0.0806 0.6498 ( 1770 PWs) bands (ev): -3.3958 -3.3958 4.1014 4.1014 4.5594 4.5594 6.6154 6.6154 7.5196 7.5196 7.7959 7.7959 8.1254 8.1254 8.1599 8.1599 8.4663 8.4663 9.0908 9.0908 11.6094 11.6094 13.0462 13.0462 14.1670 14.1670 15.5477 15.5477 16.6185 16.6185 17.7766 17.7766 18.8168 18.8168 k = 0.1512 0.0873 0.6498 ( 1770 PWs) bands (ev): -3.3633 -3.3633 3.9263 3.9263 4.5950 4.5950 6.5593 6.5593 7.5361 7.5361 7.7948 7.7948 8.1233 8.1233 8.1915 8.1915 8.4698 8.4698 9.2294 9.2294 11.5325 11.5325 13.0195 13.0195 14.2466 14.2466 15.3987 15.3987 16.5242 16.5242 17.9528 17.9528 18.9241 18.9241 k = 0.1628 0.0940 0.6498 ( 1770 PWs) bands (ev): -3.3283 -3.3283 3.7518 3.7518 4.6336 4.6336 6.5030 6.5030 7.5529 7.5529 7.7918 7.7918 8.1215 8.1215 8.2219 8.2219 8.4735 8.4735 9.3601 9.3601 11.4509 11.4509 13.0035 13.0035 14.3333 14.3333 15.2570 15.2570 16.4325 16.4325 18.1334 18.1334 19.0380 19.0380 k = 0.1744 0.1007 0.6498 ( 1774 PWs) bands (ev): -3.2908 -3.2908 3.5782 3.5782 4.6749 4.6749 6.4470 6.4470 7.5701 7.5701 7.7872 7.7872 8.1199 8.1199 8.2505 8.2505 8.4779 8.4779 9.4807 9.4807 11.3649 11.3649 13.0007 13.0007 14.4262 14.4262 15.1230 15.1230 16.3433 16.3433 18.3174 18.3174 19.1584 19.1584 k = 0.1860 0.1074 0.6498 ( 1770 PWs) bands (ev): -3.2509 -3.2509 3.4058 3.4058 4.7189 4.7189 6.3916 6.3916 7.5878 7.5878 7.7813 7.7813 8.1186 8.1186 8.2768 8.2768 8.4833 8.4833 9.5890 9.5890 11.2747 11.2747 13.0131 13.0131 14.5240 14.5240 14.9977 14.9977 16.2567 16.2567 18.5036 18.5036 19.2849 19.2849 k = 0.1977 0.1141 0.6498 ( 1762 PWs) bands (ev): -3.2085 -3.2085 3.2349 3.2349 4.7656 4.7656 6.3371 6.3371 7.6057 7.6057 7.7742 7.7742 8.1176 8.1176 8.3003 8.3003 8.4901 8.4901 9.6831 9.6831 11.1809 11.1809 13.0427 13.0427 14.6223 14.6223 14.8852 14.8852 16.1729 16.1729 18.6911 18.6911 19.4172 19.4172 k = 0.2093 0.1208 0.6498 ( 1758 PWs) bands (ev): -3.1638 -3.1638 3.0657 3.0657 4.8149 4.8149 6.2836 6.2836 7.6238 7.6238 7.7662 7.7662 8.1170 8.1170 8.3206 8.3206 8.4985 8.4985 9.7618 9.7618 11.0839 11.0839 13.0908 13.0908 14.6857 14.6857 14.8206 14.8206 16.0918 16.0918 18.8785 18.8785 19.5552 19.5552 k = 0.2209 0.1276 0.6498 ( 1758 PWs) bands (ev): -3.1168 -3.1168 2.8983 2.8983 4.8667 4.8667 6.2314 6.2314 7.6416 7.6416 7.7578 7.7578 8.1166 8.1166 8.3373 8.3373 8.5087 8.5087 9.8243 9.8243 10.9841 10.9841 13.1579 13.1579 14.6269 14.6269 14.8907 14.8907 16.0136 16.0136 19.0646 19.0646 19.6985 19.6985 k = 0.2326 0.1343 0.6498 ( 1760 PWs) bands (ev): -3.0675 -3.0675 2.7330 2.7330 4.9210 4.9210 6.1806 6.1806 7.6583 7.6583 7.7499 7.7499 8.1166 8.1166 8.3506 8.3506 8.5207 8.5207 9.8706 9.8706 10.8822 10.8822 13.2440 13.2440 14.5358 14.5358 15.0054 15.0054 15.9382 15.9382 19.2477 19.2477 19.8469 19.8469 k = 0.2442 0.1410 0.6498 ( 1756 PWs) bands (ev): -3.0161 -3.0161 2.5699 2.5699 4.9776 4.9776 6.1313 6.1313 7.6715 7.6715 7.7447 7.7447 8.1169 8.1169 8.3607 8.3607 8.5343 8.5343 9.9011 9.9011 10.7787 10.7787 13.3483 13.3483 14.4466 14.4466 15.1303 15.1303 15.8657 15.8657 19.4261 19.4261 20.0000 20.0000 k = 0.2558 0.1477 0.6498 ( 1752 PWs) bands (ev): -2.9625 -2.9625 2.4092 2.4092 5.0366 5.0366 6.0838 6.0838 7.6771 7.6771 7.7464 7.7464 8.1175 8.1175 8.3680 8.3680 8.5490 8.5490 9.9171 9.9171 10.6741 10.6741 13.4689 13.4689 14.3636 14.3636 15.2612 15.2612 15.7962 15.7962 19.5976 19.5976 20.1576 20.1576 k = 0.2674 0.1544 0.6498 ( 1760 PWs) bands (ev): -2.9069 -2.9069 2.2510 2.2510 5.0977 5.0977 6.0381 6.0381 7.6726 7.6726 7.7572 7.7572 8.1184 8.1184 8.3729 8.3729 8.5643 8.5643 9.9198 9.9198 10.5693 10.5693 13.6028 13.6028 14.2893 14.2893 15.3967 15.3967 15.7297 15.7297 19.7598 19.7598 20.3194 20.3194 k = 0.2791 0.1611 0.6498 ( 1750 PWs) bands (ev): -2.8493 -2.8493 2.0955 2.0955 5.1608 5.1608 5.9944 5.9944 7.6611 7.6611 7.7742 7.7742 8.1196 8.1196 8.3760 8.3760 8.5798 8.5798 9.9109 9.9109 10.4649 10.4649 13.7437 13.7437 14.2282 14.2282 15.5359 15.5359 15.6664 15.6664 19.9097 19.9097 20.4849 20.4849 k = 0.2907 0.1678 0.6498 ( 1754 PWs) bands (ev): -2.7899 -2.7899 1.9430 1.9430 5.2257 5.2257 5.9530 5.9530 7.6454 7.6454 7.7941 7.7941 8.1211 8.1211 8.3776 8.3776 8.5951 8.5951 9.8919 9.8919 10.3617 10.3617 13.8737 13.8737 14.1965 14.1965 15.6048 15.6048 15.6800 15.6800 20.0439 20.0439 20.6539 20.6539 k = 0.3023 0.1745 0.6498 ( 1748 PWs) bands (ev): -2.7289 -2.7289 1.7935 1.7935 5.2922 5.2922 5.9140 5.9140 7.6269 7.6269 7.8155 7.8155 8.1228 8.1228 8.3780 8.3780 8.6100 8.6100 9.8645 9.8645 10.2605 10.2605 13.9421 13.9421 14.2430 14.2430 15.5479 15.5479 15.8254 15.8254 20.1585 20.1585 20.8260 20.8260 k = 0.3140 0.1813 0.6498 ( 1748 PWs) bands (ev): -2.6664 -2.6664 1.6474 1.6474 5.3598 5.3598 5.8778 5.8778 7.6060 7.6060 7.8376 7.8376 8.1247 8.1247 8.3775 8.3775 8.6243 8.6243 9.8298 9.8298 10.1624 10.1624 13.9327 13.9327 14.3820 14.3820 15.4937 15.4937 15.9736 15.9736 20.2497 20.2497 21.0010 21.0010 k = 0.3256 0.1880 0.6498 ( 1748 PWs) bands (ev): -2.6025 -2.6025 1.5048 1.5048 5.4278 5.4278 5.8451 5.8451 7.5829 7.5829 7.8597 7.8597 8.1270 8.1270 8.3762 8.3762 8.6378 8.6378 9.7890 9.7890 10.0683 10.0683 13.8957 13.8957 14.5620 14.5620 15.4425 15.4425 16.1236 16.1236 20.3136 20.3136 21.1784 21.1784 k = 0.3372 0.1947 0.6498 ( 1752 PWs) bands (ev): -2.5376 -2.5376 1.3661 1.3661 5.4947 5.4947 5.8173 5.8173 7.5575 7.5575 7.8816 7.8816 8.1295 8.1295 8.3744 8.3744 8.6504 8.6504 9.7429 9.7429 9.9794 9.9794 13.8532 13.8532 14.7590 14.7590 15.3945 15.3945 16.2748 16.2748 20.3469 20.3469 21.3578 21.3578 k = 0.3488 0.2014 0.6498 ( 1748 PWs) bands (ev): -2.4719 -2.4719 1.2315 1.2315 5.5570 5.5570 5.7976 5.7976 7.5298 7.5298 7.9028 7.9028 8.1324 8.1324 8.3722 8.3722 8.6621 8.6621 9.6922 9.6922 9.8968 9.8968 13.8113 13.8113 14.9659 14.9659 15.3498 15.3498 16.4264 16.4264 20.3476 20.3476 21.5388 21.5388 k = 0.3605 0.2081 0.6498 ( 1752 PWs) bands (ev): -2.4058 -2.4058 1.1015 1.1015 5.6067 5.6067 5.7940 5.7940 7.4996 7.4996 7.9229 7.9229 8.1356 8.1356 8.3698 8.3698 8.6729 8.6729 9.6378 9.6378 9.8212 9.8212 13.7718 13.7718 15.1792 15.1792 15.3086 15.3086 16.5775 16.5775 20.3153 20.3153 21.7208 21.7208 k = 0.3721 0.2148 0.6498 ( 1752 PWs) bands (ev): -2.3397 -2.3397 0.9765 0.9765 5.6315 5.6315 5.8185 5.8185 7.4667 7.4667 7.9415 7.9415 8.1394 8.1394 8.3675 8.3675 8.6828 8.6828 9.5811 9.5811 9.7530 9.7530 13.7353 13.7353 15.2690 15.2690 15.3991 15.3991 16.7272 16.7272 20.2511 20.2511 21.9029 21.9029 k = 0.3837 0.2215 0.6498 ( 1752 PWs) bands (ev): -2.2740 -2.2740 0.8570 0.8570 5.6322 5.6322 5.8701 5.8701 7.4310 7.4310 7.9583 7.9583 8.1437 8.1437 8.3655 8.3655 8.6917 8.6917 9.5238 9.5238 9.6917 9.6917 13.7021 13.7021 15.2343 15.2343 15.6211 15.6211 16.8742 16.8742 20.1575 20.1575 22.0842 22.0842 k = 0.3953 0.2283 0.6498 ( 1756 PWs) bands (ev): -2.2095 -2.2095 0.7437 0.7437 5.6215 5.6215 5.9356 5.9356 7.3925 7.3925 7.9727 7.9727 8.1485 8.1485 8.3640 8.3640 8.6996 8.6996 9.4680 9.4680 9.6364 9.6364 13.6722 13.6722 15.2025 15.2025 15.8459 15.8459 17.0172 17.0172 20.0383 20.0383 22.2632 22.2632 k = 0.4070 0.2350 0.6498 ( 1754 PWs) bands (ev): -2.1469 -2.1469 0.6373 0.6373 5.6073 5.6073 6.0066 6.0066 7.3512 7.3512 7.9847 7.9847 8.1537 8.1537 8.3632 8.3632 8.7067 8.7067 9.4158 9.4158 9.5865 9.5865 13.6456 13.6456 15.1740 15.1740 16.0721 16.0721 17.1544 17.1544 19.8977 19.8977 22.4373 22.4373 k = 0.4186 0.2417 0.6498 ( 1754 PWs) bands (ev): -2.0870 -2.0870 0.5388 0.5388 5.5927 5.5927 6.0794 6.0794 7.3074 7.3074 7.9941 7.9941 8.1592 8.1592 8.3633 8.3633 8.7128 8.7128 9.3683 9.3683 9.5415 9.5415 13.6223 13.6223 15.1488 15.1488 16.2984 16.2984 17.2837 17.2837 19.7402 19.7402 22.5940 22.5940 k = 0.4302 0.2484 0.6498 ( 1758 PWs) bands (ev): -2.0309 -2.0309 0.4492 0.4492 5.5791 5.5791 6.1516 6.1516 7.2616 7.2616 8.0011 8.0011 8.1644 8.1644 8.3644 8.3644 8.7180 8.7180 9.3267 9.3267 9.5013 9.5013 13.6023 13.6023 15.1269 15.1269 16.5232 16.5232 17.4026 17.4026 19.5708 19.5708 22.5631 22.5631 k = 0.4419 0.2551 0.6498 ( 1748 PWs) bands (ev): -1.9798 -1.9798 0.3698 0.3698 5.5672 5.5672 6.2214 6.2214 7.2150 7.2150 8.0062 8.0062 8.1693 8.1693 8.3664 8.3664 8.7224 8.7224 9.2915 9.2915 9.4662 9.4662 13.5855 13.5855 15.1083 15.1083 16.7445 16.7445 17.5080 17.5080 19.3945 19.3945 22.4250 22.4250 k = 0.4535 0.2618 0.6498 ( 1748 PWs) bands (ev): -1.9352 -1.9352 0.3020 0.3020 5.5572 5.5572 6.2868 6.2868 7.1690 7.1690 8.0095 8.0095 8.1735 8.1735 8.3689 8.3689 8.7259 8.7259 9.2628 9.2628 9.4364 9.4364 13.5718 13.5718 15.0931 15.0931 16.9591 16.9591 17.5961 17.5961 19.2177 19.2177 22.3017 22.3017 k = 0.4651 0.2685 0.6498 ( 1752 PWs) bands (ev): -1.8984 -1.8984 0.2471 0.2471 5.5492 5.5492 6.3448 6.3448 7.1262 7.1262 8.0115 8.0115 8.1767 8.1767 8.3715 8.3715 8.7287 8.7287 9.2407 9.2407 9.4125 9.4125 13.5612 13.5612 15.0813 15.0813 17.1622 17.1622 17.6619 17.6619 19.0491 19.0491 22.2012 22.2012 k = 0.4767 0.2752 0.6498 ( 1752 PWs) bands (ev): -1.8709 -1.8709 0.2067 0.2067 5.5435 5.5435 6.3918 6.3918 7.0902 7.0902 8.0127 8.0127 8.1790 8.1790 8.3739 8.3739 8.7306 8.7306 9.2251 9.2251 9.3949 9.3949 13.5536 13.5536 15.0729 15.0729 17.3453 17.3453 17.6988 17.6988 18.9022 18.9022 22.1268 22.1268 k = 0.4884 0.2820 0.6498 ( 1752 PWs) bands (ev): -1.8538 -1.8538 0.1818 0.1818 5.5401 5.5401 6.4230 6.4230 7.0655 7.0655 8.0133 8.0133 8.1804 8.1804 8.3755 8.3755 8.7318 8.7318 9.2159 9.2159 9.3842 9.3842 13.5491 13.5491 15.0678 15.0678 17.4934 17.4934 17.7003 17.7003 18.7972 18.7972 22.0811 22.0811 k = 0.5000 0.2887 0.6498 ( 1756 PWs) bands (ev): -1.8481 -1.8481 0.1735 0.1735 5.5389 5.5389 6.4341 6.4341 7.0567 7.0567 8.0135 8.0135 8.1808 8.1808 8.3760 8.3760 8.7322 8.7322 9.2128 9.2128 9.3806 9.3806 13.5476 13.5476 15.0661 15.0661 17.5650 17.5650 17.6826 17.6826 18.7582 18.7582 22.0657 22.0657 k = 0.5000 0.2887 0.6498 ( 1756 PWs) bands (ev): -1.8481 -1.8481 0.1735 0.1735 5.5389 5.5389 6.4341 6.4341 7.0567 7.0567 8.0135 8.0135 8.1808 8.1808 8.3760 8.3760 8.7322 8.7322 9.2128 9.2128 9.3806 9.3806 13.5476 13.5476 15.0661 15.0661 17.5650 17.5650 17.6826 17.6826 18.7582 18.7582 22.0657 22.0657 k = 0.4933 0.3002 0.6498 ( 1756 PWs) bands (ev): -1.8465 -1.8465 0.1718 0.1718 5.5351 5.5351 6.4353 6.4353 7.0570 7.0570 8.0137 8.0137 8.1805 8.1805 8.3759 8.3759 8.7164 8.7164 9.2114 9.2114 9.4071 9.4071 13.5233 13.5233 15.0946 15.0946 17.4517 17.4517 17.7922 17.7922 18.7503 18.7503 22.0800 22.0800 k = 0.4867 0.3118 0.6498 ( 1752 PWs) bands (ev): -1.8418 -1.8418 0.1668 0.1668 5.5239 5.5239 6.4389 6.4389 7.0582 7.0582 8.0143 8.0143 8.1794 8.1794 8.3756 8.3756 8.6754 8.6754 9.2082 9.2082 9.4791 9.4791 13.4555 13.4555 15.1751 15.1751 17.2934 17.2934 17.9372 17.9372 18.7293 18.7293 22.1222 22.1222 k = 0.4800 0.3233 0.6498 ( 1752 PWs) bands (ev): -1.8341 -1.8341 0.1584 0.1584 5.5056 5.5056 6.4447 6.4447 7.0600 7.0600 8.0152 8.0152 8.1775 8.1775 8.3751 8.3751 8.6217 8.6217 9.2039 9.2039 9.5832 9.5832 13.3552 13.3552 15.2963 15.2963 17.1312 17.1312 18.0689 18.0689 18.7045 18.7045 22.1907 22.1907 k = 0.4733 0.3349 0.6498 ( 1744 PWs) bands (ev): -1.8231 -1.8231 0.1466 0.1466 5.4807 5.4807 6.4528 6.4528 7.0626 7.0626 8.0165 8.0165 8.1745 8.1745 8.3744 8.3744 8.5649 8.5649 9.1984 9.1984 9.7096 9.7096 13.2341 13.2341 15.4469 15.4469 16.9685 16.9685 18.1656 18.1656 18.6972 18.6972 22.2827 22.2827 k = 0.4667 0.3464 0.6498 ( 1744 PWs) bands (ev): -1.8091 -1.8091 0.1315 0.1315 5.4498 5.4498 6.4631 6.4631 7.0658 7.0658 8.0179 8.0179 8.1703 8.1703 8.3735 8.3735 8.5108 8.5108 9.1917 9.1917 9.8522 9.8522 13.1007 13.1007 15.6177 15.6177 16.8065 16.8065 18.1980 18.1980 18.7381 18.7381 22.3951 22.3951 k = 0.4600 0.3580 0.6498 ( 1744 PWs) bands (ev): -1.7920 -1.7920 0.1129 0.1129 5.4140 5.4140 6.4753 6.4753 7.0696 7.0696 8.0193 8.0193 8.1644 8.1644 8.3722 8.3722 8.4628 8.4628 9.1833 9.1833 10.0077 10.0077 12.9612 12.9612 15.8019 15.8019 16.6468 16.6468 18.1609 18.1609 18.8349 18.8349 22.5242 22.5242 k = 0.4533 0.3695 0.6498 ( 1748 PWs) bands (ev): -1.7718 -1.7718 0.0908 0.0908 5.3739 5.3739 6.4894 6.4894 7.0738 7.0738 8.0205 8.0205 8.1567 8.1567 8.3707 8.3707 8.4228 8.4228 9.1733 9.1733 10.1737 10.1737 12.8196 12.8196 15.9922 15.9922 16.4934 16.4934 18.0784 18.0784 18.9657 18.9657 22.6610 22.6610 k = 0.4467 0.3811 0.6498 ( 1748 PWs) bands (ev): -1.7485 -1.7485 0.0653 0.0653 5.3306 5.3306 6.5054 6.5054 7.0784 7.0784 8.0212 8.0212 8.1474 8.1474 8.3682 8.3682 8.3919 8.3919 9.1613 9.1613 10.3488 10.3488 12.6787 12.6787 16.1557 16.1557 16.3764 16.3764 17.9708 17.9708 19.1122 19.1122 22.6680 22.6680 k = 0.4400 0.3926 0.6498 ( 1752 PWs) bands (ev): -1.7221 -1.7221 0.0362 0.0362 5.2850 5.2850 6.5231 6.5231 7.0833 7.0833 8.0209 8.0209 8.1370 8.1370 8.3616 8.3616 8.3736 8.3736 9.1473 9.1473 10.5317 10.5317 12.5404 12.5404 16.1191 16.1191 16.4681 16.4681 17.8487 17.8487 19.2652 19.2652 22.5344 22.5344 k = 0.4333 0.4041 0.6498 ( 1752 PWs) bands (ev): -1.6925 -1.6925 0.0036 0.0036 5.2381 5.2381 6.5424 6.5424 7.0883 7.0883 8.0191 8.0191 8.1268 8.1268 8.3495 8.3495 8.3684 8.3684 9.1310 9.1310 10.7216 10.7216 12.4064 12.4064 15.9779 15.9779 16.6715 16.6715 17.7177 17.7177 19.4206 19.4206 22.3885 22.3885 k = 0.4267 0.4157 0.6498 ( 1748 PWs) bands (ev): -1.6599 -1.6599 -0.0325 -0.0325 5.1907 5.1907 6.5633 6.5633 7.0933 7.0933 8.0154 8.0154 8.1182 8.1182 8.3412 8.3412 8.3658 8.3658 9.1122 9.1122 10.9174 10.9174 12.2779 12.2779 15.8268 15.8268 16.8914 16.8914 17.5811 17.5811 19.5760 19.5760 22.2376 22.2376 k = 0.4200 0.4272 0.6498 ( 1748 PWs) bands (ev): -1.6241 -1.6241 -0.0722 -0.0722 5.1437 5.1437 6.5857 6.5857 7.0981 7.0981 8.0096 8.0096 8.1121 8.1121 8.3379 8.3379 8.3634 8.3634 9.0909 9.0909 11.1183 11.1183 12.1560 12.1560 15.6749 15.6749 17.1176 17.1176 17.4415 17.4415 19.7298 19.7298 22.0836 22.0836 k = 0.4133 0.4388 0.6498 ( 1748 PWs) bands (ev): -1.5853 -1.5853 -0.1154 -0.1154 5.0978 5.0978 6.6094 6.6094 7.1023 7.1023 8.0023 8.0023 8.1087 8.1087 8.3388 8.3388 8.3610 8.3610 9.0667 9.0667 11.3230 11.3230 12.0421 12.0421 15.5240 15.5240 17.2938 17.2938 17.3545 17.3545 19.8808 19.8808 21.9279 21.9279 k = 0.4067 0.4503 0.6498 ( 1744 PWs) bands (ev): -1.5434 -1.5434 -0.1620 -0.1620 5.0538 5.0538 6.6345 6.6345 7.1059 7.1059 7.9941 7.9941 8.1077 8.1077 8.3433 8.3433 8.3585 8.3585 9.0398 9.0398 11.5289 11.5289 11.9387 11.9387 15.3749 15.3749 17.1560 17.1560 17.5842 17.5842 20.0276 20.0276 21.7714 21.7714 k = 0.4000 0.4619 0.6498 ( 1740 PWs) bands (ev): -1.4983 -1.4983 -0.2121 -0.2121 5.0121 5.0121 6.6608 6.6608 7.1085 7.1085 7.9859 7.9859 8.1085 8.1085 8.3509 8.3509 8.3560 8.3560 9.0100 9.0100 11.7166 11.7166 11.8649 11.8649 15.2281 15.2281 17.0149 17.0149 17.8204 17.8204 20.1690 20.1690 21.6154 21.6154 k = 0.3933 0.4734 0.6498 ( 1744 PWs) bands (ev): -1.4502 -1.4502 -0.2655 -0.2655 4.9733 4.9733 6.6883 6.6883 7.1098 7.1098 7.9782 7.9782 8.1103 8.1103 8.3533 8.3533 8.3613 8.3613 8.9774 8.9774 11.7227 11.7227 11.9835 11.9835 15.0839 15.0839 16.8756 16.8756 18.0582 18.0582 20.3031 20.3031 21.4611 21.4611 k = 0.3867 0.4850 0.6498 ( 1740 PWs) bands (ev): -1.3991 -1.3991 -0.3220 -0.3220 4.9379 4.9379 6.7167 6.7167 7.1094 7.1094 7.9714 7.9714 8.1128 8.1128 8.3506 8.3506 8.3743 8.3743 8.9422 8.9422 11.6506 11.6506 12.1902 12.1902 14.9429 14.9429 16.7394 16.7394 18.2967 18.2967 20.4270 20.4270 21.3107 21.3107 k = 0.3800 0.4965 0.6498 ( 1736 PWs) bands (ev): -1.3449 -1.3449 -0.3817 -0.3817 4.9060 4.9060 6.7460 6.7460 7.1071 7.1071 7.9657 7.9657 8.1156 8.1156 8.3479 8.3479 8.3898 8.3898 8.9049 8.9049 11.5821 11.5821 12.4022 12.4022 14.8056 14.8056 16.6077 16.6077 18.5349 18.5349 20.5352 20.5352 21.1688 21.1688 k = 0.3733 0.5081 0.6498 ( 1736 PWs) bands (ev): -1.2876 -1.2876 -0.4443 -0.4443 4.8781 4.8781 6.7760 6.7760 7.1023 7.1023 7.9610 7.9610 8.1185 8.1185 8.3453 8.3453 8.4074 8.4074 8.8659 8.8659 11.5220 11.5220 12.6121 12.6121 14.6729 14.6729 16.4819 16.4819 18.7714 18.7714 20.6134 20.6134 21.0484 21.0484 k = 0.3667 0.5196 0.6498 ( 1742 PWs) bands (ev): -1.2274 -1.2274 -0.5096 -0.5096 4.8544 4.8544 6.8064 6.8064 7.0948 7.0948 7.9574 7.9574 8.1213 8.1213 8.3427 8.3427 8.4271 8.4271 8.8260 8.8260 11.4713 11.4713 12.8159 12.8159 14.5462 14.5462 16.3640 16.3640 19.0045 19.0045 20.6266 20.6266 20.9834 20.9834 k = 0.3600 0.5312 0.6498 ( 1744 PWs) bands (ev): -1.1643 -1.1643 -0.5773 -0.5773 4.8349 4.8349 6.8370 6.8370 7.0842 7.0842 7.9547 7.9547 8.1239 8.1239 8.3404 8.3404 8.4482 8.4482 8.7865 8.7865 11.4302 11.4302 13.0086 13.0086 14.4278 14.4278 16.2567 16.2567 19.2318 19.2318 20.5525 20.5525 20.9945 20.9945 k = 0.3533 0.5427 0.6498 ( 1744 PWs) bands (ev): -1.0984 -1.0984 -0.6470 -0.6470 4.8197 4.8197 6.8672 6.8672 7.0706 7.0706 7.9529 7.9529 8.1260 8.1260 8.3383 8.3383 8.4702 8.4702 8.7489 8.7489 11.3987 11.3987 13.1822 13.1822 14.3220 14.3220 16.1633 16.1633 19.4500 19.4500 20.4315 20.4315 21.0393 21.0393 k = 0.3467 0.5543 0.6498 ( 1744 PWs) bands (ev): -1.0304 -1.0304 -0.7181 -0.7181 4.8089 4.8089 6.8958 6.8958 7.0544 7.0544 7.9518 7.9518 8.1277 8.1277 8.3366 8.3366 8.4911 8.4911 8.7156 8.7156 11.3766 11.3766 13.3247 13.3247 14.2361 14.2361 16.0885 16.0885 19.6541 19.6541 20.2956 20.2956 21.0841 21.0841 k = 0.3400 0.5658 0.6498 ( 1744 PWs) bands (ev): -0.9626 -0.9626 -0.7880 -0.7880 4.8024 4.8024 6.9198 6.9198 7.0383 7.0383 7.9513 7.9513 8.1288 8.1288 8.3355 8.3355 8.5077 8.5077 8.6911 8.6911 11.3636 11.3636 13.4191 13.4191 14.1810 14.1810 16.0383 16.0383 19.8357 19.8357 20.1579 20.1579 21.1156 21.1156 k = 0.3333 0.5774 0.6498 ( 1740 PWs) bands (ev): -0.9180 -0.9180 -0.8333 -0.8333 4.8003 4.8003 6.9307 6.9307 7.0301 7.0301 7.9512 7.9512 8.1291 8.1291 8.3352 8.3352 8.5143 8.5143 8.6817 8.6817 11.3593 11.3593 13.4510 13.4510 14.1639 14.1639 16.0200 16.0200 19.9507 19.9507 20.0590 20.0590 21.1272 21.1272 k = 0.3333 0.5774 0.6498 ( 1740 PWs) bands (ev): -0.9180 -0.9180 -0.8333 -0.8333 4.8003 4.8003 6.9307 6.9307 7.0301 7.0301 7.9512 7.9512 8.1291 8.1291 8.3352 8.3352 8.5143 8.5143 8.6817 8.6817 11.3593 11.3593 13.4510 13.4510 14.1639 14.1639 16.0200 16.0200 19.9507 19.9507 20.0590 20.0590 21.1272 21.1272 k = 0.3267 0.5658 0.6498 ( 1748 PWs) bands (ev): -0.9646 -0.9646 -0.7859 -0.7859 4.8024 4.8024 6.9182 6.9182 7.0398 7.0398 7.9512 7.9512 8.1288 8.1288 8.3356 8.3356 8.5078 8.5078 8.6912 8.6912 11.3634 11.3634 13.4242 13.4242 14.1738 14.1738 16.0404 16.0404 19.8510 19.8510 20.1405 20.1405 21.1144 21.1144 k = 0.3200 0.5543 0.6498 ( 1748 PWs) bands (ev): -1.0390 -1.0390 -0.7089 -0.7089 4.8086 4.8086 6.8865 6.8865 7.0630 7.0630 7.9512 7.9512 8.1277 8.1277 8.3370 8.3370 8.4919 8.4919 8.7164 8.7164 11.3756 11.3756 13.3580 13.3580 14.1865 14.1865 16.1044 16.1044 19.7135 19.7135 20.2209 20.2209 21.0743 21.0743 k = 0.3133 0.5427 0.6498 ( 1744 PWs) bands (ev): -1.1179 -1.1179 -0.6256 -0.6256 4.8189 4.8189 6.8438 6.8438 7.0915 7.0915 7.9509 7.9509 8.1261 8.1261 8.3394 8.3394 8.4727 8.4727 8.7519 8.7519 11.3955 11.3955 13.2704 13.2704 14.1839 14.1839 16.2118 16.2118 19.5745 19.5745 20.2633 20.2633 21.0062 21.0062 k = 0.3067 0.5312 0.6498 ( 1744 PWs) bands (ev): -1.1985 -1.1985 -0.5383 -0.5383 4.8330 4.8330 6.7934 6.7934 7.1219 7.1219 7.9500 7.9500 8.1241 8.1241 8.3429 8.3429 8.4537 8.4537 8.7940 8.7940 11.4227 11.4227 13.1717 13.1717 14.1598 14.1598 16.3581 16.3581 19.4366 19.4366 20.2695 20.2695 20.9107 20.9107 k = 0.3000 0.5196 0.6498 ( 1744 PWs) bands (ev): -1.2802 -1.2802 -0.4476 -0.4476 4.8509 4.8509 6.7370 6.7370 7.1530 7.1530 7.9481 7.9481 8.1221 8.1221 8.3472 8.3472 8.4368 8.4368 8.8412 8.8412 11.4569 11.4569 13.0676 13.0676 14.1156 14.1156 16.5362 16.5362 19.3005 19.3005 20.2461 20.2461 20.7903 20.7903 k = 0.2933 0.5081 0.6498 ( 1744 PWs) bands (ev): -1.3625 -1.3625 -0.3537 -0.3537 4.8724 4.8724 6.6754 6.6754 7.1842 7.1842 7.9451 7.9451 8.1203 8.1203 8.3520 8.3520 8.4228 8.4228 8.8925 8.8925 11.4978 11.4978 12.9608 12.9608 14.0556 14.0556 16.7384 16.7384 19.1666 19.1666 20.1993 20.1993 20.6484 20.6484 k = 0.2867 0.4965 0.6498 ( 1744 PWs) bands (ev): -1.4451 -1.4451 -0.2566 -0.2566 4.8972 4.8972 6.6095 6.6095 7.2152 7.2152 7.9408 7.9408 8.1191 8.1191 8.3566 8.3566 8.4126 8.4126 8.9476 8.9476 11.5450 11.5450 12.8529 12.8529 13.9842 13.9842 16.9582 16.9582 19.0350 19.0350 20.1332 20.1332 20.4904 20.4904 k = 0.2800 0.4850 0.6498 ( 1748 PWs) bands (ev): -1.5278 -1.5278 -0.1565 -0.1565 4.9253 4.9253 6.5399 6.5399 7.2457 7.2457 7.9351 7.9351 8.1185 8.1185 8.3599 8.3599 8.4071 8.4071 9.0062 9.0062 11.5984 11.5984 12.7449 12.7449 13.9052 13.9052 17.1904 17.1904 18.9058 18.9058 20.0466 20.0466 20.3254 20.3254 k = 0.2733 0.4734 0.6498 ( 1746 PWs) bands (ev): -1.6105 -1.6105 -0.0533 -0.0533 4.9564 4.9564 6.4673 6.4673 7.2758 7.2758 7.9279 7.9279 8.1185 8.1185 8.3607 8.3607 8.4071 8.4071 9.0681 9.0681 11.6577 11.6577 12.6373 12.6373 13.8214 13.8214 17.4305 17.4305 18.7792 18.7792 19.9296 19.9296 20.1699 20.1699 k = 0.2667 0.4619 0.6498 ( 1754 PWs) bands (ev): -1.6928 -1.6928 0.0529 0.0529 4.9904 4.9904 6.3923 6.3923 7.3052 7.3052 7.9195 7.9195 8.1191 8.1191 8.3593 8.3593 8.4120 8.4120 9.1330 9.1330 11.7225 11.7225 12.5305 12.5305 13.7350 13.7350 17.6748 17.6748 18.6553 18.6553 19.7701 19.7701 20.0418 20.0418 k = 0.2600 0.4503 0.6498 ( 1748 PWs) bands (ev): -1.7746 -1.7746 0.1621 0.1621 5.0270 5.0270 6.3155 6.3155 7.3340 7.3340 7.9099 7.9099 8.1201 8.1201 8.3571 8.3571 8.4201 8.4201 9.2011 9.2011 11.7926 11.7926 12.4248 12.4248 13.6477 13.6477 17.9193 17.9193 18.5340 18.5340 19.5766 19.5766 19.9383 19.9383 k = 0.2533 0.4388 0.6498 ( 1752 PWs) bands (ev): -1.8558 -1.8558 0.2743 0.2743 5.0661 5.0661 6.2376 6.2376 7.3620 7.3620 7.8993 7.8993 8.1214 8.1214 8.3549 8.3549 8.4301 8.4301 9.2720 9.2720 11.8672 11.8672 12.3207 12.3207 13.5608 13.5608 18.1587 18.1587 18.4153 18.4153 19.3675 19.3675 19.8471 19.8471 k = 0.2467 0.4272 0.6498 ( 1752 PWs) bands (ev): -1.9363 -1.9363 0.3894 0.3894 5.1074 5.1074 6.1590 6.1590 7.3893 7.3893 7.8878 7.8878 8.1226 8.1226 8.3532 8.3532 8.4412 8.4412 9.3457 9.3457 11.9446 11.9446 12.2198 12.2198 13.4753 13.4753 18.2986 18.2986 18.3825 18.3825 19.1605 19.1605 19.7620 19.7620 k = 0.2400 0.4157 0.6498 ( 1752 PWs) bands (ev): -2.0157 -2.0157 0.5075 0.5075 5.1506 5.1506 6.0803 6.0803 7.4158 7.4158 7.8756 7.8756 8.1238 8.1238 8.3522 8.3522 8.4528 8.4528 9.4219 9.4219 12.0122 12.0122 12.1347 12.1347 13.3919 13.3919 18.1845 18.1845 18.5473 18.5473 19.0000 19.0000 19.6813 19.6813 k = 0.2333 0.4041 0.6498 ( 1752 PWs) bands (ev): -2.0941 -2.0941 0.6285 0.6285 5.1954 5.1954 6.0022 6.0022 7.4415 7.4415 7.8628 7.8628 8.1247 8.1247 8.3520 8.3520 8.4646 8.4646 9.5005 9.5005 11.9832 11.9832 12.1517 12.1517 13.3113 13.3113 18.0713 18.0713 18.5188 18.5188 19.0202 19.0202 19.6054 19.6054 k = 0.2267 0.3926 0.6498 ( 1748 PWs) bands (ev): -2.1713 -2.1713 0.7524 0.7524 5.2412 5.2412 5.9253 5.9253 7.4664 7.4664 7.8496 7.8496 8.1253 8.1253 8.3523 8.3523 8.4763 8.4763 9.5814 9.5814 11.8904 11.8904 12.2379 12.2379 13.2341 13.2341 17.9570 17.9570 18.3391 18.3391 19.1745 19.1745 19.5393 19.5393 k = 0.2200 0.3811 0.6498 ( 1756 PWs) bands (ev): -2.2471 -2.2471 0.8791 0.8791 5.2873 5.2873 5.8505 5.8505 7.4904 7.4904 7.8359 7.8359 8.1255 8.1255 8.3532 8.3532 8.4876 8.4876 9.6643 9.6643 11.7908 11.7908 12.3360 12.3360 13.1610 13.1610 17.8359 17.8359 18.1332 18.1332 19.3102 19.3102 19.5132 19.5132 k = 0.2133 0.3695 0.6498 ( 1756 PWs) bands (ev): -2.3216 -2.3216 1.0087 1.0087 5.3322 5.3322 5.7795 5.7795 7.5135 7.5135 7.8220 7.8220 8.1254 8.1254 8.3544 8.3544 8.4983 8.4983 9.7489 9.7489 11.6900 11.6900 12.4402 12.4402 13.0923 13.0923 17.6941 17.6941 17.9428 17.9428 19.3189 19.3189 19.6042 19.6042 k = 0.2067 0.3580 0.6498 ( 1760 PWs) bands (ev): -2.3945 -2.3945 1.1411 1.1411 5.3728 5.3728 5.7155 5.7155 7.5356 7.5356 7.8078 7.8078 8.1251 8.1251 8.3559 8.3559 8.5081 8.5081 9.8349 9.8349 11.5888 11.5888 12.5491 12.5491 13.0287 13.0287 17.5154 17.5154 17.7913 17.7913 19.2647 19.2647 19.7369 19.7369 k = 0.2000 0.3464 0.6498 ( 1752 PWs) bands (ev): -2.4658 -2.4658 1.2763 1.2763 5.4016 5.4016 5.6660 5.6660 7.5568 7.5568 7.7936 7.7936 8.1245 8.1245 8.3575 8.3575 8.5169 8.5169 9.9219 9.9219 11.4875 11.4875 12.6620 12.6620 12.9710 12.9710 17.3068 17.3068 17.6746 17.6746 19.2009 19.2009 19.8505 19.8505 k = 0.1933 0.3349 0.6498 ( 1756 PWs) bands (ev): -2.5354 -2.5354 1.4142 1.4142 5.4047 5.4047 5.6449 5.6449 7.5768 7.5768 7.7795 7.7795 8.1236 8.1236 8.3590 8.3590 8.5243 8.5243 10.0093 10.0093 11.3863 11.3863 12.7756 12.7756 12.9226 12.9226 17.0861 17.0861 17.5769 17.5769 19.1358 19.1358 19.9312 19.9312 k = 0.1867 0.3233 0.6498 ( 1756 PWs) bands (ev): -2.6032 -2.6032 1.5549 1.5549 5.3754 5.3754 5.6592 5.6592 7.5954 7.5954 7.7658 7.7658 8.1226 8.1226 8.3604 8.3604 8.5302 8.5302 10.0964 10.0964 11.2856 11.2856 12.8445 12.8445 12.9291 12.9291 16.8627 16.8627 17.4901 17.4901 19.0717 19.0717 19.9736 19.9736 k = 0.1800 0.3118 0.6498 ( 1756 PWs) bands (ev): -2.6691 -2.6691 1.6982 1.6982 5.3254 5.3254 5.6969 5.6969 7.6125 7.6125 7.7526 7.7526 8.1215 8.1215 8.3615 8.3615 8.5344 8.5344 10.1819 10.1819 11.1859 11.1859 12.8175 12.8175 13.0418 13.0418 16.6410 16.6410 17.4109 17.4109 19.0092 19.0092 19.9763 19.9763 k = 0.1733 0.3002 0.6498 ( 1762 PWs) bands (ev): -2.7331 -2.7331 1.8441 1.8441 5.2670 5.2670 5.7459 5.7459 7.6272 7.6272 7.7408 7.7408 8.1204 8.1204 8.3620 8.3620 8.5367 8.5367 10.2635 10.2635 11.0891 11.0891 12.7850 12.7850 13.1707 13.1707 16.4231 16.4231 17.3381 17.3381 18.9485 18.9485 19.9410 19.9410 k = 0.1667 0.2887 0.6498 ( 1762 PWs) bands (ev): -2.7951 -2.7951 1.9927 1.9927 5.2058 5.2058 5.8005 5.8005 7.6386 7.6386 7.7315 7.7315 8.1193 8.1193 8.3619 8.3619 8.5371 8.5371 10.3369 10.3369 10.9988 10.9988 12.7576 12.7576 13.3052 13.3052 16.2104 16.2104 17.2713 17.2713 18.8898 18.8898 19.8717 19.8717 k = 0.1600 0.2771 0.6498 ( 1758 PWs) bands (ev): -2.8551 -2.8551 2.1437 2.1437 5.1443 5.1443 5.8582 5.8582 7.6448 7.6448 7.7263 7.7263 8.1184 8.1184 8.3610 8.3610 8.5357 8.5357 10.3930 10.3930 10.9234 10.9234 12.7365 12.7365 13.4440 13.4440 16.0041 16.0041 17.2104 17.2104 18.8333 18.8333 19.7736 19.7736 k = 0.1533 0.2656 0.6498 ( 1762 PWs) bands (ev): -2.9129 -2.9129 2.2972 2.2972 5.0837 5.0837 5.9179 5.9179 7.6445 7.6445 7.7268 7.7268 8.1175 8.1175 8.3589 8.3589 8.5323 8.5323 10.4153 10.4153 10.8791 10.8791 12.7224 12.7224 13.5868 13.5868 15.8048 15.8048 17.1553 17.1553 18.7789 18.7789 19.6520 19.6520 k = 0.1467 0.2540 0.6498 ( 1762 PWs) bands (ev): -2.9686 -2.9686 2.4531 2.4531 5.0244 5.0244 5.9790 5.9790 7.6384 7.6384 7.7321 7.7321 8.1169 8.1169 8.3554 8.3554 8.5273 8.5273 10.3877 10.3877 10.8812 10.8812 12.7152 12.7152 13.7334 13.7334 15.6134 15.6134 17.1061 17.1061 18.7266 18.7266 19.5120 19.5120 k = 0.1400 0.2425 0.6498 ( 1762 PWs) bands (ev): -3.0221 -3.0221 2.6114 2.6114 4.9670 4.9670 6.0410 6.0410 7.6285 7.6285 7.7403 7.7403 8.1165 8.1165 8.3501 8.3501 8.5209 8.5209 10.3153 10.3153 10.9240 10.9240 12.7151 12.7151 13.8836 13.8836 15.4306 15.4306 17.0631 17.0631 18.6763 18.6763 19.3582 19.3582 k = 0.1333 0.2309 0.6498 ( 1768 PWs) bands (ev): -3.0734 -3.0734 2.7718 2.7718 4.9117 4.9117 6.1037 6.1037 7.6166 7.6166 7.7497 7.7497 8.1162 8.1162 8.3424 8.3424 8.5136 8.5136 10.2152 10.2152 10.9898 10.9898 12.7221 12.7221 14.0370 14.0370 15.2570 15.2570 17.0264 17.0264 18.6279 18.6279 19.1945 19.1945 k = 0.1267 0.2194 0.6498 ( 1768 PWs) bands (ev): -3.1223 -3.1223 2.9344 2.9344 4.8585 4.8585 6.1668 6.1668 7.6036 7.6036 7.7591 7.7591 8.1164 8.1164 8.3319 8.3319 8.5059 8.5059 10.0992 10.0992 11.0665 11.0665 12.7360 12.7360 14.1931 14.1931 15.0936 15.0936 16.9963 16.9963 18.5809 18.5809 19.0241 19.0241 k = 0.1200 0.2078 0.6498 ( 1772 PWs) bands (ev): -3.1690 -3.1690 3.0990 3.0990 4.8076 4.8076 6.2301 6.2301 7.5901 7.5901 7.7680 7.7680 8.1168 8.1168 8.3181 8.3181 8.4982 8.4982 9.9730 9.9730 11.1479 11.1479 12.7565 12.7565 14.3503 14.3503 14.9421 14.9421 16.9729 16.9729 18.5341 18.5341 18.8509 18.8509 k = 0.1133 0.1963 0.6498 ( 1776 PWs) bands (ev): -3.2133 -3.2133 3.2655 3.2655 4.7592 4.7592 6.2936 6.2936 7.5765 7.5765 7.7761 7.7761 8.1175 8.1175 8.3009 8.3009 8.4911 8.4911 9.8394 9.8394 11.2307 11.2307 12.7836 12.7836 14.5015 14.5015 14.8101 14.8101 16.9566 16.9566 18.4833 18.4833 18.6812 18.6812 k = 0.1067 0.1848 0.6498 ( 1776 PWs) bands (ev): -3.2552 -3.2552 3.4337 3.4337 4.7133 4.7133 6.3569 6.3569 7.5627 7.5627 7.7833 7.7833 8.1186 8.1186 8.2800 8.2800 8.4849 8.4849 9.6999 9.6999 11.3134 11.3134 12.8166 12.8166 14.5799 14.5799 14.7645 14.7645 16.9477 16.9477 18.4067 18.4067 18.5383 18.5383 k = 0.1000 0.1732 0.6498 ( 1768 PWs) bands (ev): -3.2946 -3.2946 3.6035 3.6035 4.6700 4.6700 6.4200 6.4200 7.5490 7.5490 7.7892 7.7892 8.1199 8.1199 8.2556 8.2556 8.4795 8.4795 9.5557 9.5557 11.3947 11.3947 12.8551 12.8551 14.4989 14.4989 14.8918 14.8918 16.9463 16.9463 18.2674 18.2674 18.4607 18.4607 k = 0.0933 0.1617 0.6498 ( 1772 PWs) bands (ev): -3.3317 -3.3317 3.7746 3.7746 4.6293 4.6293 6.4825 6.4825 7.5352 7.5352 7.7937 7.7937 8.1215 8.1215 8.2281 8.2281 8.4749 8.4749 9.4075 9.4075 11.4736 11.4736 12.8985 12.8985 14.3925 14.3925 15.0584 15.0584 16.9526 16.9526 18.0991 18.0991 18.4159 18.4159 k = 0.0867 0.1501 0.6498 ( 1768 PWs) bands (ev): -3.3663 -3.3663 3.9468 3.9468 4.5914 4.5914 6.5443 6.5443 7.5215 7.5215 7.7967 7.7967 8.1234 8.1234 8.1981 8.1981 8.4709 8.4709 9.2564 9.2564 11.5497 11.5497 12.9460 12.9460 14.2912 14.2912 15.2337 15.2337 16.9670 16.9670 17.9267 17.9267 18.3803 18.3803 k = 0.0800 0.1386 0.6498 ( 1764 PWs) bands (ev): -3.3984 -3.3984 4.1196 4.1196 4.5563 4.5563 6.6050 6.6050 7.5079 7.5079 7.7978 7.7978 8.1255 8.1255 8.1663 8.1663 8.4671 8.4671 9.1035 9.1035 11.6221 11.6221 12.9966 12.9966 14.1989 14.1989 15.4139 15.4139 16.9895 16.9895 17.7560 17.7560 18.3491 18.3491 k = 0.0733 0.1270 0.6498 ( 1760 PWs) bands (ev): -3.4280 -3.4280 4.2922 4.2922 4.5245 4.5245 6.6642 6.6642 7.4942 7.4942 7.7967 7.7967 8.1277 8.1277 8.1335 8.1335 8.4629 8.4629 8.9502 8.9502 11.6905 11.6905 13.0491 13.0491 14.1168 14.1168 15.5979 15.5979 17.0201 17.0201 17.5896 17.5896 18.3209 18.3209 k = 0.0667 0.1155 0.6498 ( 1764 PWs) bands (ev): -3.4551 -3.4551 4.4558 4.4558 4.5045 4.5045 6.7210 6.7210 7.4804 7.4804 7.7929 7.7929 8.1006 8.1006 8.1300 8.1300 8.4570 8.4570 8.7989 8.7989 11.7543 11.7543 13.1022 13.1022 14.0457 14.0457 15.7851 15.7851 17.0586 17.0586 17.4295 17.4295 18.2954 18.2954 k = 0.0600 0.1039 0.6498 ( 1760 PWs) bands (ev): -3.4796 -3.4796 4.4631 4.4631 4.6429 4.6429 6.7745 6.7745 7.4667 7.4667 7.7860 7.7860 8.0691 8.0691 8.1323 8.1323 8.4450 8.4450 8.6557 8.6557 11.8132 11.8132 13.1541 13.1541 13.9861 13.9861 15.9753 15.9753 17.1032 17.1032 17.2790 17.2790 18.2720 18.2720 k = 0.0533 0.0924 0.6498 ( 1760 PWs) bands (ev): -3.5016 -3.5016 4.4400 4.4400 4.8130 4.8130 6.8232 6.8232 7.4533 7.4533 7.7756 7.7756 8.0400 8.0400 8.1345 8.1345 8.4057 8.4057 8.5433 8.5433 11.8668 11.8668 13.2028 13.2028 13.9386 13.9386 16.1681 16.1681 17.1094 17.1094 17.1841 17.1841 18.2507 18.2507 k = 0.0467 0.0808 0.6498 ( 1764 PWs) bands (ev): -3.5210 -3.5210 4.4189 4.4189 4.9813 4.9813 6.8646 6.8646 7.4411 7.4411 7.7615 7.7615 8.0144 8.0144 8.1366 8.1366 8.3052 8.3052 8.4978 8.4978 11.9148 11.9148 13.2461 13.2461 13.9038 13.9038 16.3626 16.3626 16.9899 16.9899 17.2340 17.2340 18.2310 18.2310 k = 0.0400 0.0693 0.6498 ( 1768 PWs) bands (ev): -3.5379 -3.5379 4.4004 4.4004 5.1457 5.1457 6.8951 6.8951 7.4319 7.4319 7.7442 7.7442 7.9928 7.9928 8.1381 8.1381 8.1811 8.1811 8.4851 8.4851 11.9568 11.9568 13.2821 13.2821 13.8818 13.8818 16.5556 16.5556 16.8739 16.8739 17.3035 17.3035 18.2122 18.2122 k = 0.0333 0.0577 0.6498 ( 1768 PWs) bands (ev): -3.5522 -3.5522 4.3847 4.3847 5.3036 5.3036 6.9103 6.9103 7.4291 7.4291 7.7252 7.7252 7.9736 7.9736 8.0604 8.0604 8.1409 8.1409 8.4800 8.4800 11.9928 11.9928 13.3096 13.3096 13.8718 13.8718 16.6999 16.6999 16.8214 16.8214 17.3807 17.3807 18.1934 18.1934 k = 0.0267 0.0462 0.6498 ( 1770 PWs) bands (ev): -3.5639 -3.5639 4.3718 4.3718 5.4515 5.4515 6.9063 6.9063 7.4366 7.4366 7.7064 7.7064 7.9297 7.9297 7.9800 7.9800 8.1422 8.1422 8.4774 8.4774 12.0224 12.0224 13.3286 13.3286 13.8714 13.8714 16.6476 16.6476 16.9823 16.9823 17.4628 17.4628 18.1717 18.1717 k = 0.0200 0.0346 0.6498 ( 1770 PWs) bands (ev): -3.5730 -3.5730 4.3617 4.3617 5.5840 5.5840 6.8839 6.8839 7.4570 7.4570 7.6898 7.6898 7.8381 7.8381 7.9633 7.9633 8.1434 8.1434 8.4759 8.4759 12.0456 12.0456 13.3405 13.3405 13.8772 13.8772 16.5765 16.5765 17.1800 17.1800 17.5466 17.5466 18.1405 18.1405 k = 0.0133 0.0231 0.6498 ( 1774 PWs) bands (ev): -3.5795 -3.5795 4.3545 4.3545 5.6929 5.6929 6.8505 6.8505 7.4896 7.4896 7.6771 7.6771 7.7530 7.7530 7.9565 7.9565 8.1442 8.1442 8.4750 8.4750 12.0622 12.0622 13.3471 13.3471 13.8850 13.8850 16.5221 16.5221 17.3781 17.3781 17.6264 17.6264 18.0831 18.0831 k = 0.0067 0.0115 0.6498 ( 1778 PWs) bands (ev): -3.5834 -3.5834 4.3502 4.3502 5.7667 5.7667 6.8202 6.8202 7.5301 7.5301 7.6691 7.6691 7.6824 7.6824 7.9530 7.9530 8.1447 8.1447 8.4745 8.4745 12.0723 12.0723 13.3502 13.3502 13.8914 13.8914 16.4883 16.4883 17.5620 17.5620 17.6952 17.6952 17.9765 17.9765 k = 0.0000 0.0000 0.6498 ( 1778 PWs) bands (ev): -3.5847 -3.5847 4.3488 4.3488 5.7931 5.7931 6.8079 6.8079 7.5573 7.5573 7.6455 7.6455 7.6665 7.6665 7.9519 7.9519 8.1449 8.1449 8.4744 8.4744 12.0756 12.0756 13.3511 13.3511 13.8938 13.8938 16.4769 16.4769 17.6536 17.6536 17.7584 17.7584 17.8705 17.8705 k = 0.5000 0.2887 0.6498 ( 1756 PWs) bands (ev): -1.8481 -1.8481 0.1735 0.1735 5.5389 5.5389 6.4341 6.4341 7.0567 7.0567 8.0135 8.0135 8.1808 8.1808 8.3760 8.3760 8.7322 8.7322 9.2128 9.2128 9.3806 9.3806 13.5476 13.5476 15.0661 15.0661 17.5650 17.5650 17.6826 17.6826 18.7582 18.7582 22.0657 22.0657 k = 0.5000 0.2887 0.6366 ( 1760 PWs) bands (ev): -1.8494 -1.8494 0.1719 0.1719 5.5385 5.5385 6.4376 6.4376 7.0592 7.0592 8.0137 8.0137 8.1808 8.1808 8.3763 8.3763 8.7312 8.7312 9.2063 9.2063 9.3854 9.3854 13.5531 13.5531 15.0702 15.0702 17.5633 17.5633 17.6819 17.6819 18.7572 18.7572 22.0616 22.0616 k = 0.5000 0.2887 0.6233 ( 1760 PWs) bands (ev): -1.8534 -1.8534 0.1670 0.1670 5.5372 5.5372 6.4479 6.4479 7.0670 7.0670 8.0143 8.0143 8.1808 8.1808 8.3770 8.3770 8.7284 8.7284 9.1886 9.1886 9.3983 9.3983 13.5693 13.5693 15.0823 15.0823 17.5581 17.5581 17.6795 17.6795 18.7544 18.7544 22.0494 22.0494 k = 0.5000 0.2887 0.6101 ( 1756 PWs) bands (ev): -1.8601 -1.8601 0.1591 0.1591 5.5350 5.5350 6.4650 6.4650 7.0798 7.0798 8.0155 8.0155 8.1809 8.1809 8.3782 8.3782 8.7238 8.7238 9.1627 9.1627 9.4162 9.4162 13.5962 13.5962 15.1026 15.1026 17.5495 17.5495 17.6757 17.6757 18.7496 18.7496 22.0295 22.0295 k = 0.5000 0.2887 0.5968 ( 1758 PWs) bands (ev): -1.8694 -1.8694 0.1480 0.1480 5.5320 5.5320 6.4888 6.4888 7.0974 7.0974 8.0170 8.0170 8.1810 8.1810 8.3801 8.3801 8.7173 8.7173 9.1312 9.1312 9.4372 9.4372 13.6335 13.6335 15.1308 15.1308 17.5375 17.5375 17.6703 17.6703 18.7430 18.7430 22.0023 22.0023 k = 0.5000 0.2887 0.5835 ( 1754 PWs) bands (ev): -1.8813 -1.8813 0.1339 0.1339 5.5281 5.5281 6.5190 6.5190 7.1195 7.1195 8.0190 8.0190 8.1811 8.1811 8.3826 8.3826 8.7091 8.7091 9.0956 9.0956 9.4603 9.4603 13.6807 13.6807 15.1670 15.1670 17.5224 17.5224 17.6635 17.6635 18.7348 18.7348 21.9685 21.9685 k = 0.5000 0.2887 0.5703 ( 1748 PWs) bands (ev): -1.8955 -1.8955 0.1170 0.1170 5.5233 5.5233 6.5555 6.5555 7.1459 7.1459 8.0214 8.0214 8.1813 8.1813 8.3861 8.3861 8.6993 8.6993 9.0568 9.0568 9.4851 9.4851 13.7373 13.7373 15.2108 15.2108 17.5042 17.5042 17.6553 17.6553 18.7249 18.7249 21.9289 21.9289 k = 0.5000 0.2887 0.5570 ( 1750 PWs) bands (ev): -1.9121 -1.9121 0.0973 0.0973 5.5176 5.5176 6.5979 6.5979 7.1760 7.1760 8.0242 8.0242 8.1814 8.1814 8.3904 8.3904 8.6880 8.6880 9.0156 9.0156 9.5118 9.5118 13.8029 13.8029 15.2622 15.2622 17.4832 17.4832 17.6458 17.6458 18.7136 18.7136 21.8842 21.8842 k = 0.5000 0.2887 0.5437 ( 1746 PWs) bands (ev): -1.9310 -1.9310 0.0751 0.0751 5.5111 5.5111 6.6458 6.6458 7.2094 7.2094 8.0274 8.0274 8.1816 8.1816 8.3961 8.3961 8.6754 8.6754 8.9727 8.9727 9.5405 9.5405 13.8769 13.8769 15.3209 15.3209 17.4594 17.4594 17.6350 17.6350 18.7011 18.7011 21.8352 21.8352 k = 0.5000 0.2887 0.5305 ( 1744 PWs) bands (ev): -1.9518 -1.9518 0.0504 0.0504 5.5037 5.5037 6.6989 6.6989 7.2454 7.2454 8.0309 8.0309 8.1818 8.1818 8.4033 8.4033 8.6614 8.6614 8.9286 8.9286 9.5716 9.5716 13.9585 13.9585 15.3867 15.3867 17.4332 17.4332 17.6232 17.6232 18.6876 18.6876 21.7828 21.7828 k = 0.5000 0.2887 0.5172 ( 1748 PWs) bands (ev): -1.9747 -1.9747 0.0236 0.0236 5.4955 5.4955 6.7565 6.7565 7.2833 7.2833 8.0346 8.0346 8.1819 8.1819 8.4124 8.4124 8.6461 8.6461 8.8842 8.8842 9.6055 9.6055 14.0472 14.0472 15.4595 15.4595 17.4047 17.4047 17.6103 17.6103 18.6732 18.6732 21.7277 21.7277 k = 0.5000 0.2887 0.5040 ( 1748 PWs) bands (ev): -1.9993 -1.9993 -0.0053 -0.0053 5.4865 5.4865 6.8180 6.8180 7.3225 7.3225 8.0385 8.0385 8.1821 8.1821 8.4237 8.4237 8.6297 8.6297 8.8403 8.8403 9.6428 9.6428 14.1423 14.1423 15.5388 15.5388 17.3742 17.3742 17.5965 17.5965 18.6583 18.6583 21.6707 21.6707 k = 0.5000 0.2887 0.4907 ( 1748 PWs) bands (ev): -2.0255 -2.0255 -0.0359 -0.0359 5.4767 5.4767 6.8828 6.8828 7.3619 7.3619 8.0425 8.0425 8.1823 8.1823 8.4376 8.4376 8.6121 8.6121 8.7980 8.7980 9.6839 9.6839 14.2430 14.2430 15.6245 15.6245 17.3419 17.3419 17.5819 17.5819 18.6431 18.6431 21.6122 21.6122 k = 0.5000 0.2887 0.4774 ( 1756 PWs) bands (ev): -2.0531 -2.0531 -0.0682 -0.0682 5.4661 5.4661 6.9499 6.9499 7.4008 7.4008 8.0463 8.0463 8.1826 8.1826 8.4544 8.4544 8.5930 8.5930 8.7588 8.7588 9.7293 9.7293 14.3486 14.3486 15.7161 15.7161 17.3081 17.3081 17.5668 17.5668 18.6280 18.6280 21.5531 21.5531 k = 0.5000 0.2887 0.4642 ( 1758 PWs) bands (ev): -2.0820 -2.0820 -0.1019 -0.1019 5.4548 5.4548 7.0184 7.0184 7.4381 7.4381 8.0499 8.0499 8.1829 8.1829 8.4741 8.4741 8.5723 8.5723 8.7245 8.7245 9.7795 9.7795 14.4584 14.4584 15.8135 15.8135 17.2731 17.2731 17.5511 17.5511 18.6134 18.6134 21.4938 21.4938 k = 0.5000 0.2887 0.4509 ( 1754 PWs) bands (ev): -2.1121 -2.1121 -0.1367 -0.1367 5.4428 5.4428 7.0872 7.0872 7.4729 7.4729 8.0531 8.0531 8.1833 8.1833 8.4959 8.4959 8.5498 8.5498 8.6981 8.6981 9.8350 9.8350 14.5717 14.5717 15.9162 15.9162 17.2371 17.2371 17.5352 17.5352 18.5995 18.5995 21.4348 21.4348 k = 0.5000 0.2887 0.4377 ( 1754 PWs) bands (ev): -2.1430 -2.1430 -0.1725 -0.1725 5.4302 5.4302 7.1550 7.1550 7.5044 7.5044 8.0555 8.0555 8.1839 8.1839 8.5157 8.5157 8.5272 8.5272 8.6839 8.6839 9.8963 9.8963 14.6876 14.6876 16.0237 16.0237 17.2006 17.2006 17.5191 17.5191 18.5869 18.5869 21.3767 21.3767 k = 0.5000 0.2887 0.4244 ( 1758 PWs) bands (ev): -2.1748 -2.1748 -0.2091 -0.2091 5.4170 5.4170 7.2205 7.2205 7.5315 7.5315 8.0571 8.0571 8.1846 8.1846 8.4985 8.4985 8.5347 8.5347 8.6882 8.6882 9.9637 9.9637 14.8053 14.8053 16.1357 16.1357 17.1637 17.1637 17.5031 17.5031 18.5761 18.5761 21.3199 21.3199 k = 0.5000 0.2887 0.4111 ( 1754 PWs) bands (ev): -2.2071 -2.2071 -0.2463 -0.2463 5.4032 5.4032 7.2825 7.2825 7.5537 7.5537 8.0577 8.0577 8.1854 8.1854 8.4731 8.4731 8.5410 8.5410 8.7159 8.7159 10.0377 10.0377 14.9239 14.9239 16.2515 16.2515 17.1272 17.1272 17.4872 17.4872 18.5677 18.5677 21.2649 21.2649 k = 0.5000 0.2887 0.3979 ( 1754 PWs) bands (ev): -2.2399 -2.2399 -0.2840 -0.2840 5.3890 5.3890 7.3393 7.3393 7.5708 7.5708 8.0574 8.0574 8.1861 8.1861 8.4487 8.4487 8.5402 8.5402 8.7647 8.7647 10.1186 10.1186 15.0424 15.0424 16.3701 16.3701 17.0916 17.0916 17.4717 17.4717 18.5622 18.5622 21.2120 21.2120 k = 0.5000 0.2887 0.3846 ( 1758 PWs) bands (ev): -2.2731 -2.2731 -0.3218 -0.3218 5.3743 5.3743 7.3896 7.3896 7.5830 7.5830 8.0562 8.0562 8.1866 8.1866 8.4263 8.4263 8.5369 8.5369 8.8301 8.8301 10.2064 10.2064 15.1598 15.1598 16.4902 16.4902 17.0582 17.0582 17.4568 17.4568 18.5605 18.5605 21.1617 21.1617 k = 0.5000 0.2887 0.3713 ( 1754 PWs) bands (ev): -2.3063 -2.3063 -0.3597 -0.3597 5.3593 5.3593 7.4312 7.4312 7.5917 7.5917 8.0545 8.0545 8.1866 8.1866 8.4064 8.4064 8.5338 8.5338 8.9093 8.9093 10.3012 10.3012 15.2749 15.2749 16.6086 16.6086 17.0300 17.0300 17.4425 17.4425 18.5634 18.5634 21.1145 21.1145 k = 0.5000 0.2887 0.3581 ( 1754 PWs) bands (ev): -2.3395 -2.3395 -0.3975 -0.3975 5.3440 5.3440 7.4615 7.4615 7.5997 7.5997 8.0524 8.0524 8.1859 8.1859 8.3888 8.3888 8.5324 8.5324 9.0008 9.0008 10.4032 10.4032 15.3865 15.3865 16.7171 16.7171 17.0147 17.0147 17.4291 17.4291 18.5718 18.5718 21.0707 21.0707 k = 0.5000 0.2887 0.3448 ( 1758 PWs) bands (ev): -2.3726 -2.3726 -0.4351 -0.4351 5.3285 5.3285 7.4773 7.4773 7.6106 7.6106 8.0502 8.0502 8.1846 8.1846 8.3734 8.3734 8.5329 8.5329 9.1035 9.1035 10.5120 10.5120 15.4933 15.4933 16.7933 16.7933 17.0346 17.0346 17.4165 17.4165 18.5867 18.5867 21.0310 21.0310 k = 0.5000 0.2887 0.3316 ( 1758 PWs) bands (ev): -2.4055 -2.4055 -0.4722 -0.4722 5.3127 5.3127 7.4781 7.4781 7.6261 7.6261 8.0478 8.0478 8.1826 8.1826 8.3597 8.3597 8.5355 8.5355 9.2165 9.2165 10.6276 10.6276 15.5941 15.5941 16.8147 16.8147 17.1116 17.1116 17.4049 17.4049 18.6093 18.6093 20.9958 20.9958 k = 0.5000 0.2887 0.3183 ( 1764 PWs) bands (ev): -2.4379 -2.4379 -0.5089 -0.5089 5.2969 5.2969 7.4669 7.4669 7.6443 7.6443 8.0454 8.0454 8.1801 8.1801 8.3474 8.3474 8.5399 8.5399 9.3388 9.3388 10.7496 10.7496 15.6875 15.6875 16.8019 16.8019 17.2247 17.2247 17.3942 17.3942 18.6407 18.6407 20.9657 20.9657 k = 0.5000 0.2887 0.3050 ( 1764 PWs) bands (ev): -2.4698 -2.4698 -0.5449 -0.5449 5.2811 5.2811 7.4478 7.4478 7.6629 7.6629 8.0430 8.0430 8.1773 8.1773 8.3361 8.3361 8.5458 8.5458 9.4696 9.4696 10.8777 10.8777 15.7722 15.7722 16.7771 16.7771 17.3510 17.3510 17.3844 17.3844 18.6820 18.6820 20.9414 20.9414 k = 0.5000 0.2887 0.2918 ( 1764 PWs) bands (ev): -2.5011 -2.5011 -0.5800 -0.5800 5.2653 5.2653 7.4236 7.4236 7.6804 7.6804 8.0405 8.0405 8.1744 8.1744 8.3257 8.3257 8.5527 8.5527 9.6078 9.6078 11.0114 11.0114 15.8473 15.8473 16.7483 16.7483 17.3751 17.3751 17.4820 17.4820 18.7342 18.7342 20.9237 20.9237 k = 0.5000 0.2887 0.2785 ( 1764 PWs) bands (ev): -2.5317 -2.5317 -0.6143 -0.6143 5.2497 5.2497 7.3962 7.3962 7.6961 7.6961 8.0379 8.0379 8.1715 8.1715 8.3159 8.3159 8.5602 8.5602 9.7525 9.7525 11.1503 11.1503 15.9120 15.9120 16.7184 16.7184 17.3663 17.3663 17.6139 17.6139 18.7981 18.7981 20.9133 20.9133 k = 0.5000 0.2887 0.2652 ( 1762 PWs) bands (ev): -2.5614 -2.5614 -0.6476 -0.6476 5.2342 5.2342 7.3667 7.3667 7.7100 7.7100 8.0350 8.0350 8.1687 8.1687 8.3068 8.3068 8.5681 8.5681 9.9030 9.9030 11.2940 11.2940 15.9658 15.9658 16.6883 16.6883 17.3576 17.3576 17.7447 17.7447 18.8742 18.8742 20.9111 20.9111 k = 0.5000 0.2887 0.2520 ( 1762 PWs) bands (ev): -2.5902 -2.5902 -0.6799 -0.6799 5.2190 5.2190 7.3362 7.3362 7.7222 7.7222 8.0320 8.0320 8.1661 8.1661 8.2982 8.2982 8.5761 8.5761 10.0583 10.0583 11.4418 11.4418 16.0088 16.0088 16.6585 16.6585 17.3488 17.3488 17.8728 17.8728 18.9625 18.9625 20.9181 20.9181 k = 0.5000 0.2887 0.2387 ( 1762 PWs) bands (ev): -2.6180 -2.6180 -0.7109 -0.7109 5.2042 5.2042 7.3052 7.3052 7.7328 7.7328 8.0288 8.0288 8.1638 8.1638 8.2902 8.2902 8.5839 8.5839 10.2177 10.2177 11.5933 11.5933 16.0411 16.0411 16.6292 16.6292 17.3396 17.3396 17.9968 17.9968 19.0627 19.0627 20.9294 20.9294 k = 0.5000 0.2887 0.2255 ( 1754 PWs) bands (ev): -2.6447 -2.6447 -0.7407 -0.7407 5.1897 5.1897 7.2743 7.2743 7.7420 7.7420 8.0254 8.0254 8.1618 8.1618 8.2827 8.2827 8.5914 8.5914 10.3803 10.3803 11.7479 11.7479 16.0635 16.0635 16.6004 16.6004 17.3299 17.3299 18.1155 18.1155 19.1741 19.1741 20.7168 20.7168 k = 0.5000 0.2887 0.2122 ( 1754 PWs) bands (ev): -2.6703 -2.6703 -0.7691 -0.7691 5.1757 5.1757 7.2440 7.2440 7.7499 7.7499 8.0220 8.0220 8.1600 8.1600 8.2757 8.2757 8.5985 8.5985 10.5454 10.5454 11.9049 11.9049 16.0768 16.0768 16.5719 16.5719 17.3194 17.3194 18.2275 18.2275 19.2956 19.2956 20.4743 20.4743 k = 0.5000 0.2887 0.1989 ( 1754 PWs) bands (ev): -2.6946 -2.6946 -0.7962 -0.7962 5.1622 5.1622 7.2144 7.2144 7.7567 7.7567 8.0184 8.0184 8.1585 8.1585 8.2691 8.2691 8.6053 8.6053 10.7121 10.7121 12.0637 12.0637 16.0818 16.0818 16.5435 16.5435 17.3083 17.3083 18.3319 18.3319 19.4258 19.4258 20.2329 20.2329 k = 0.5000 0.2887 0.1857 ( 1754 PWs) bands (ev): -2.7177 -2.7177 -0.8218 -0.8218 5.1493 5.1493 7.1859 7.1859 7.7626 7.7626 8.0149 8.0149 8.1573 8.1573 8.2631 8.2631 8.6115 8.6115 10.8795 10.8795 12.2236 12.2236 16.0797 16.0797 16.5149 16.5149 17.2965 17.2965 18.4275 18.4275 19.5629 19.5629 19.9947 19.9947 k = 0.5000 0.2887 0.1724 ( 1754 PWs) bands (ev): -2.7394 -2.7394 -0.8458 -0.8458 5.1370 5.1370 7.1588 7.1588 7.7676 7.7676 8.0113 8.0113 8.1563 8.1563 8.2575 8.2575 8.6172 8.6172 11.0467 11.0467 12.3838 12.3838 16.0711 16.0711 16.4862 16.4862 17.2843 17.2843 18.5138 18.5138 19.6935 19.6935 19.7731 19.7731 k = 0.5000 0.2887 0.1591 ( 1758 PWs) bands (ev): -2.7597 -2.7597 -0.8683 -0.8683 5.1254 5.1254 7.1331 7.1331 7.7719 7.7719 8.0079 8.0079 8.1555 8.1555 8.2523 8.2523 8.6225 8.6225 11.2127 11.2127 12.5436 12.5436 16.0569 16.0569 16.4571 16.4571 17.2718 17.2718 18.5903 18.5903 19.5245 19.5245 19.8610 19.8610 k = 0.5000 0.2887 0.1459 ( 1762 PWs) bands (ev): -2.7785 -2.7785 -0.8891 -0.8891 5.1145 5.1145 7.1091 7.1091 7.7755 7.7755 8.0045 8.0045 8.1549 8.1549 8.2476 8.2476 8.6272 8.6272 11.3763 11.3763 12.7018 12.7018 16.0375 16.0375 16.4277 16.4277 17.2593 17.2593 18.6569 18.6569 19.3037 19.3037 20.0106 20.0106 k = 0.5000 0.2887 0.1326 ( 1762 PWs) bands (ev): -2.7959 -2.7959 -0.9083 -0.9083 5.1045 5.1045 7.0868 7.0868 7.7787 7.7787 8.0014 8.0014 8.1545 8.1545 8.2433 8.2433 8.6315 8.6315 11.5360 11.5360 12.8576 12.8576 16.0134 16.0134 16.3984 16.3984 17.2470 17.2470 18.7135 18.7135 19.0911 19.0911 20.1622 20.1622 k = 0.5000 0.2887 0.1194 ( 1762 PWs) bands (ev): -2.8117 -2.8117 -0.9257 -0.9257 5.0952 5.0952 7.0664 7.0664 7.7813 7.7813 7.9984 7.9984 8.1542 8.1542 8.2395 8.2395 8.6353 8.6353 11.6906 11.6906 13.0094 13.0094 15.9849 15.9849 16.3693 16.3693 17.2353 17.2353 18.7577 18.7577 18.8921 18.8921 20.3128 20.3128 k = 0.5000 0.2887 0.1061 ( 1762 PWs) bands (ev): -2.8259 -2.8259 -0.9414 -0.9414 5.0869 5.0869 7.0480 7.0480 7.7835 7.7835 7.9957 7.9957 8.1540 8.1540 8.2361 8.2361 8.6386 8.6386 11.8381 11.8381 13.1560 13.1560 15.9526 15.9526 16.3411 16.3411 17.2243 17.2243 18.6863 18.6863 18.8129 18.8129 20.4602 20.4602 k = 0.5000 0.2887 0.0928 ( 1758 PWs) bands (ev): -2.8385 -2.8385 -0.9554 -0.9554 5.0794 5.0794 7.0315 7.0315 7.7854 7.7854 7.9933 7.9933 8.1539 8.1539 8.2331 8.2331 8.6415 8.6415 11.9767 11.9767 13.2956 13.2956 15.9169 15.9169 16.3142 16.3142 17.2145 17.2145 18.5139 18.5139 18.8417 18.8417 20.6016 20.6016 k = 0.5000 0.2887 0.0796 ( 1758 PWs) bands (ev): -2.8495 -2.8495 -0.9675 -0.9675 5.0728 5.0728 7.0172 7.0172 7.7869 7.7869 7.9911 7.9911 8.1538 8.1538 8.2305 8.2305 8.6440 8.6440 12.1042 12.1042 13.4260 13.4260 15.8788 15.8788 16.2891 16.2891 17.2060 17.2060 18.3542 18.3542 18.8678 18.8678 20.7343 20.7343 k = 0.5000 0.2887 0.0663 ( 1766 PWs) bands (ev): -2.8589 -2.8589 -0.9778 -0.9778 5.0673 5.0673 7.0050 7.0050 7.7881 7.7881 7.9892 7.9892 8.1537 8.1537 8.2283 8.2283 8.6461 8.6461 12.2182 12.2182 13.5447 13.5447 15.8399 15.8399 16.2665 16.2665 17.1990 17.1990 18.2127 18.2127 18.8889 18.8889 20.8547 20.8547 k = 0.5000 0.2887 0.0530 ( 1766 PWs) bands (ev): -2.8666 -2.8666 -0.9863 -0.9863 5.0627 5.0627 6.9949 6.9949 7.7891 7.7891 7.9877 7.9877 8.1537 8.1537 8.2265 8.2265 8.6478 8.6478 12.3163 12.3163 13.6489 13.6489 15.8022 15.8022 16.2469 16.2469 17.1936 17.1936 18.0922 18.0922 18.9053 18.9053 20.9591 20.9591 k = 0.5000 0.2887 0.0398 ( 1762 PWs) bands (ev): -2.8726 -2.8726 -0.9928 -0.9928 5.0591 5.0591 6.9871 6.9871 7.7898 7.7898 7.9865 7.9865 8.1537 8.1537 8.2251 8.2251 8.6491 8.6491 12.3959 12.3959 13.7352 13.7352 15.7683 15.7683 16.2308 16.2308 17.1898 17.1898 17.9952 17.9952 18.9175 18.9175 21.0433 21.0433 k = 0.5000 0.2887 0.0265 ( 1762 PWs) bands (ev): -2.8769 -2.8769 -0.9975 -0.9975 5.0565 5.0565 6.9815 6.9815 7.7903 7.7903 7.9856 7.9856 8.1537 8.1537 8.2241 8.2241 8.6500 8.6500 12.4546 12.4546 13.8002 13.8002 15.7411 15.7411 16.2188 16.2188 17.1875 17.1875 17.9239 17.9239 18.9259 18.9259 21.1035 21.1035 k = 0.5000 0.2887 0.0133 ( 1770 PWs) bands (ev): -2.8794 -2.8794 -1.0004 -1.0004 5.0549 5.0549 6.9781 6.9781 7.7905 7.7905 7.9851 7.9851 8.1537 8.1537 8.2235 8.2235 8.6505 8.6505 12.4908 12.4908 13.8407 13.8407 15.7233 15.7233 16.2113 16.2113 17.1862 17.1862 17.8802 17.8802 18.9308 18.9308 21.1382 21.1382 k = 0.5000 0.2887-0.0000 ( 1766 PWs) bands (ev): -2.8803 -2.8803 -1.0013 -1.0013 5.0544 5.0544 6.9770 6.9770 7.7906 7.7906 7.9849 7.9849 8.1537 8.1537 8.2233 8.2233 8.6507 8.6507 12.5029 12.5029 13.8545 13.8545 15.7172 15.7172 16.2088 16.2088 17.1859 17.1859 17.8655 17.8655 18.9324 18.9324 21.1492 21.1492 k = 0.3333 0.5774-0.0000 ( 1752 PWs) bands (ev): -1.9599 -1.9599 -1.8910 -1.8910 3.4770 3.4770 7.7931 7.7931 7.8105 7.8105 8.1366 8.1366 8.1709 8.1709 8.1801 8.1801 11.9740 11.9740 12.7371 12.7371 13.0987 13.0987 13.4850 13.4850 13.6487 13.6487 18.4594 18.4594 18.4766 18.4766 19.7199 19.7199 20.1038 20.1038 k = 0.3333 0.5774 0.0133 ( 1752 PWs) bands (ev): -1.9591 -1.9591 -1.8902 -1.8902 3.4780 3.4780 7.7931 7.7931 7.8102 7.8102 8.1357 8.1357 8.1710 8.1710 8.1812 8.1812 11.9737 11.9737 12.7382 12.7382 13.0909 13.0909 13.4743 13.4743 13.6442 13.6442 18.4730 18.4730 18.4899 18.4899 19.6928 19.6928 20.1052 20.1052 k = 0.3333 0.5774 0.0265 ( 1746 PWs) bands (ev): -1.9565 -1.9565 -1.8875 -1.8875 3.4812 3.4812 7.7928 7.7928 7.8092 7.8092 8.1332 8.1332 8.1712 8.1712 8.1842 8.1842 11.9730 11.9730 12.7413 12.7413 13.0672 13.0672 13.4425 13.4425 13.6314 13.6314 18.5135 18.5135 18.5292 18.5292 19.6160 19.6160 20.1092 20.1092 k = 0.3333 0.5774 0.0398 ( 1746 PWs) bands (ev): -1.9521 -1.9521 -1.8832 -1.8832 3.4864 3.4864 7.7923 7.7923 7.8077 7.8077 8.1296 8.1296 8.1715 8.1715 8.1886 8.1886 11.9714 11.9714 12.7465 12.7465 13.0268 13.0268 13.3911 13.3911 13.6124 13.6124 18.5796 18.5796 18.5932 18.5932 19.5000 19.5000 20.1156 20.1156 k = 0.3333 0.5774 0.0530 ( 1746 PWs) bands (ev): -1.9461 -1.9461 -1.8771 -1.8771 3.4937 3.4937 7.7916 7.7916 7.8056 7.8056 8.1254 8.1254 8.1719 8.1719 8.1939 8.1939 11.9686 11.9686 12.7535 12.7535 12.9688 12.9688 13.3225 13.3225 13.5898 13.5898 18.6693 18.6693 18.6798 18.6798 19.3565 19.3565 20.1243 20.1243 k = 0.3333 0.5774 0.0663 ( 1746 PWs) bands (ev): -1.9384 -1.9384 -1.8693 -1.8693 3.5031 3.5031 7.7907 7.7907 7.8028 7.8028 8.1209 8.1209 8.1724 8.1724 8.1997 8.1997 11.9636 11.9636 12.7617 12.7617 12.8937 12.8937 13.2396 13.2396 13.5660 13.5660 18.7800 18.7800 18.7862 18.7862 19.1951 19.1951 20.1356 20.1356 k = 0.3333 0.5774 0.0796 ( 1752 PWs) bands (ev): -1.9290 -1.9290 -1.8597 -1.8597 3.5145 3.5145 7.7894 7.7894 7.7994 7.7994 8.1165 8.1165 8.1731 8.1731 8.2059 8.2059 11.9554 11.9554 12.7624 12.7624 12.8107 12.8107 13.1461 13.1461 13.5425 13.5425 18.9056 18.9056 18.9092 18.9092 19.0267 19.0267 20.1497 20.1497 k = 0.3333 0.5774 0.0928 ( 1758 PWs) bands (ev): -1.9179 -1.9179 -1.8485 -1.8485 3.5280 3.5280 7.7878 7.7878 7.7954 7.7954 8.1122 8.1122 8.1738 8.1738 8.2123 8.2123 11.9422 11.9422 12.6810 12.6810 12.7959 12.7959 13.0461 13.0461 13.5201 13.5201 18.8365 18.8365 19.0539 19.0539 19.0546 19.0546 20.1670 20.1670 k = 0.3333 0.5774 0.1061 ( 1767 PWs) bands (ev): -1.9052 -1.9052 -1.8357 -1.8357 3.5435 3.5435 7.7858 7.7858 7.7907 7.7907 8.1082 8.1082 8.1746 8.1746 8.2187 8.2187 11.9215 11.9215 12.5596 12.5596 12.8095 12.8095 12.9442 12.9442 13.4987 13.4987 18.6560 18.6560 19.2015 19.2015 19.2114 19.2114 20.1884 20.1884 k = 0.3333 0.5774 0.1194 ( 1761 PWs) bands (ev): -1.8909 -1.8909 -1.8212 -1.8212 3.5609 3.5609 7.7835 7.7835 7.7855 7.7855 8.1047 8.1047 8.1756 8.1756 8.2251 8.2251 11.8902 11.8902 12.4251 12.4251 12.8268 12.8268 12.8459 12.8459 13.4779 13.4779 18.4735 18.4735 19.3567 19.3567 19.3789 19.3789 20.2151 20.2151 k = 0.3333 0.5774 0.1326 ( 1761 PWs) bands (ev): -1.8749 -1.8749 -1.8051 -1.8051 3.5803 3.5803 7.7796 7.7796 7.7807 7.7807 8.1015 8.1015 8.1766 8.1766 8.2316 8.2316 11.8443 11.8443 12.2809 12.2809 12.7568 12.7568 12.8466 12.8466 13.4570 13.4570 18.2921 18.2921 19.5141 19.5141 19.5538 19.5538 20.2492 20.2492 k = 0.3333 0.5774 0.1459 ( 1761 PWs) bands (ev): -1.8575 -1.8575 -1.7874 -1.7874 3.6016 3.6016 7.7730 7.7730 7.7774 7.7774 8.0988 8.0988 8.1776 8.1776 8.2380 8.2380 11.7805 11.7805 12.1294 12.1294 12.6820 12.6820 12.8685 12.8685 13.4354 13.4354 18.1134 18.1134 19.6675 19.6675 19.7336 19.7336 20.2941 20.2941 k = 0.3333 0.5774 0.1591 ( 1761 PWs) bands (ev): -1.8385 -1.8385 -1.7682 -1.7682 3.6248 3.6248 7.7659 7.7659 7.7734 7.7734 8.0966 8.0966 8.1787 8.1787 8.2443 8.2443 11.6968 11.6968 11.9724 11.9724 12.6248 12.6248 12.8925 12.8925 13.4126 13.4126 17.9386 17.9386 19.8088 19.8088 19.9155 19.9155 20.3553 20.3553 k = 0.3333 0.5774 0.1724 ( 1761 PWs) bands (ev): -1.8181 -1.8181 -1.7475 -1.7475 3.6498 3.6498 7.7580 7.7580 7.7689 7.7689 8.0949 8.0949 8.1799 8.1799 8.2504 8.2504 11.5939 11.5939 11.8115 11.8115 12.5856 12.5856 12.9184 12.9184 13.3881 13.3881 17.7686 17.7686 19.9291 19.9291 20.0970 20.0970 20.4392 20.4392 k = 0.3333 0.5774 0.1857 ( 1755 PWs) bands (ev): -1.7962 -1.7962 -1.7254 -1.7254 3.6766 3.6766 7.7494 7.7494 7.7637 7.7637 8.0937 8.0937 8.1811 8.1811 8.2565 8.2565 11.4748 11.4748 11.6480 11.6480 12.5626 12.5626 12.9461 12.9461 13.3612 13.3612 17.6043 17.6043 20.0233 20.0233 20.2754 20.2754 20.5479 20.5479 k = 0.3333 0.5774 0.1989 ( 1764 PWs) bands (ev): -1.7730 -1.7730 -1.7019 -1.7019 3.7051 3.7051 7.7401 7.7401 7.7577 7.7577 8.0930 8.0930 8.1822 8.1822 8.2623 8.2623 11.3433 11.3433 11.4831 11.4831 12.5529 12.5529 12.9756 12.9756 13.3317 13.3317 17.4465 17.4465 20.0941 20.0941 20.4478 20.4478 20.6758 20.6758 k = 0.3333 0.5774 0.2122 ( 1764 PWs) bands (ev): -1.7485 -1.7485 -1.6771 -1.6771 3.7353 3.7353 7.7300 7.7300 7.7511 7.7511 8.0927 8.0927 8.1834 8.1834 8.2679 8.2679 11.2031 11.2031 11.3177 11.3177 12.5536 12.5536 13.0068 13.0068 13.2991 13.2991 17.2956 17.2956 20.1487 20.1487 20.6114 20.6114 20.8128 20.8128 k = 0.3333 0.5774 0.2255 ( 1761 PWs) bands (ev): -1.7227 -1.7227 -1.6510 -1.6510 3.7670 3.7670 7.7192 7.7192 7.7437 7.7437 8.0928 8.0928 8.1845 8.1845 8.2733 8.2733 11.0572 11.0572 11.1527 11.1527 12.5623 12.5623 13.0393 13.0393 13.2631 13.2631 17.1525 17.1525 20.1934 20.1934 20.7631 20.7631 20.9493 20.9493 k = 0.3333 0.5774 0.2387 ( 1755 PWs) bands (ev): -1.6958 -1.6958 -1.6237 -1.6237 3.8003 3.8003 7.7075 7.7075 7.7354 7.7354 8.0933 8.0933 8.1857 8.1857 8.2785 8.2785 10.9081 10.9081 10.9890 10.9890 12.5772 12.5772 13.0728 13.0728 13.2238 13.2238 17.0174 17.0174 20.2324 20.2324 20.8999 20.8999 21.0780 21.0780 k = 0.3333 0.5774 0.2520 ( 1761 PWs) bands (ev): -1.6678 -1.6678 -1.5953 -1.5953 3.8349 3.8349 7.6948 7.6948 7.7263 7.7263 8.0940 8.0940 8.1867 8.1867 8.2834 8.2834 10.7575 10.7575 10.8271 10.8271 12.5970 12.5970 13.1048 13.1048 13.1835 13.1835 16.8909 16.8909 20.2678 20.2678 21.0190 21.0190 21.1932 21.1932 k = 0.3333 0.5774 0.2652 ( 1767 PWs) bands (ev): -1.6387 -1.6387 -1.5659 -1.5659 3.8710 3.8710 7.6812 7.6812 7.7162 7.7162 8.0949 8.0949 8.1876 8.1876 8.2880 8.2880 10.6069 10.6069 10.6678 10.6678 12.6207 12.6207 13.1108 13.1108 13.1660 13.1660 16.7733 16.7733 20.3011 20.3011 21.1181 21.1181 21.2910 21.2910 k = 0.3333 0.5774 0.2785 ( 1761 PWs) bands (ev): -1.6087 -1.6087 -1.5355 -1.5355 3.9082 3.9082 7.6665 7.6665 7.7052 7.7052 8.0960 8.0960 8.1885 8.1885 8.2924 8.2924 10.4576 10.4576 10.5116 10.5116 12.6476 12.6476 13.0669 13.0669 13.1953 13.1953 16.6648 16.6648 20.3330 20.3330 21.1956 21.1956 21.3684 21.3684 k = 0.3333 0.5774 0.2918 ( 1761 PWs) bands (ev): -1.5779 -1.5779 -1.5043 -1.5043 3.9467 3.9467 7.6507 7.6507 7.6932 7.6932 8.0970 8.0970 8.1893 8.1893 8.2965 8.2965 10.3104 10.3104 10.3593 10.3593 12.6771 12.6771 13.0105 13.0105 13.2337 13.2337 16.5656 16.5656 20.3638 20.3638 21.2507 21.2507 21.4239 21.4239 k = 0.3333 0.5774 0.3050 ( 1767 PWs) bands (ev): -1.5464 -1.5464 -1.4723 -1.4723 3.9861 3.9861 7.6336 7.6336 7.6800 7.6800 8.0978 8.0978 8.1899 8.1899 8.3002 8.3002 10.1663 10.1663 10.2112 10.2112 12.7089 12.7089 12.9483 12.9483 13.2746 13.2746 16.4758 16.4758 20.3936 20.3936 21.2835 21.2835 21.4573 21.4573 k = 0.3333 0.5774 0.3183 ( 1755 PWs) bands (ev): -1.5142 -1.5142 -1.4396 -1.4396 4.0265 4.0265 7.6153 7.6153 7.6657 7.6657 8.0984 8.0984 8.1904 8.1904 8.3037 8.3037 10.0258 10.0258 10.0680 10.0680 12.7424 12.7424 12.8814 12.8814 13.3169 13.3169 16.3951 16.3951 20.4224 20.4224 21.2954 21.2954 21.4697 21.4697 k = 0.3333 0.5774 0.3316 ( 1761 PWs) bands (ev): -1.4814 -1.4814 -1.4065 -1.4065 4.0676 4.0676 7.5954 7.5954 7.6499 7.6499 8.0985 8.0985 8.1906 8.1906 8.3068 8.3068 9.8897 9.8897 9.9303 9.9303 12.7774 12.7774 12.8102 12.8102 13.3603 13.3603 16.3234 16.3234 20.4501 20.4501 21.2882 21.2882 21.4630 21.4630 k = 0.3333 0.5774 0.3448 ( 1761 PWs) bands (ev): -1.4483 -1.4483 -1.3729 -1.3729 4.1094 4.1094 7.5739 7.5739 7.6328 7.6328 8.0980 8.0980 8.1907 8.1907 8.3097 8.3097 9.7586 9.7586 9.7985 9.7985 12.7353 12.7353 12.8137 12.8137 13.4046 13.4046 16.2604 16.2604 20.4763 20.4763 21.2642 21.2642 21.4400 21.4400 k = 0.3333 0.5774 0.3581 ( 1758 PWs) bands (ev): -1.4149 -1.4149 -1.3390 -1.3390 4.1517 4.1517 7.5508 7.5508 7.6140 7.6140 8.0968 8.0968 8.1904 8.1904 8.3122 8.3122 9.6330 9.6330 9.6734 9.6734 12.6572 12.6572 12.8510 12.8510 13.4496 13.4496 16.2057 16.2057 20.5005 20.5005 21.2260 21.2260 21.4039 21.4039 k = 0.3333 0.5774 0.3713 ( 1758 PWs) bands (ev): -1.3814 -1.3814 -1.3049 -1.3049 4.1943 4.1943 7.5259 7.5259 7.5936 7.5936 8.0947 8.0947 8.1900 8.1900 8.3145 8.3145 9.5134 9.5134 9.5553 9.5553 12.5765 12.5765 12.8889 12.8889 13.4951 13.4951 16.1588 16.1588 20.5222 20.5222 21.1762 21.1762 21.3580 21.3580 k = 0.3333 0.5774 0.3846 ( 1758 PWs) bands (ev): -1.3478 -1.3478 -1.2708 -1.2708 4.2371 4.2371 7.4990 7.4990 7.5712 7.5712 8.0916 8.0916 8.1892 8.1892 8.3164 8.3164 9.4002 9.4002 9.4448 9.4448 12.4937 12.4937 12.9274 12.9274 13.5409 13.5409 16.1192 16.1192 20.5403 20.5403 21.1171 21.1171 21.3058 21.3058 k = 0.3333 0.5774 0.3979 ( 1752 PWs) bands (ev): -1.3144 -1.3144 -1.2369 -1.2369 4.2799 4.2799 7.4703 7.4703 7.5468 7.5468 8.0873 8.0873 8.1880 8.1880 8.3182 8.3182 9.2940 9.2940 9.3424 9.3424 12.4096 12.4096 12.9662 12.9662 13.5869 13.5869 16.0862 16.0862 20.5535 20.5535 21.0512 21.0512 21.2509 21.2509 k = 0.3333 0.5774 0.4111 ( 1752 PWs) bands (ev): -1.2813 -1.2813 -1.2032 -1.2032 4.3225 4.3225 7.4396 7.4396 7.5203 7.5203 8.0818 8.0818 8.1865 8.1865 8.3198 8.3198 9.1950 9.1950 9.2484 9.2484 12.3249 12.3249 13.0050 13.0050 13.6328 13.6328 16.0593 16.0593 20.5602 20.5602 20.9801 20.9801 21.1968 21.1968 k = 0.3333 0.5774 0.4244 ( 1758 PWs) bands (ev): -1.2486 -1.2486 -1.1700 -1.1700 4.3646 4.3646 7.4069 7.4069 7.4915 7.4915 8.0750 8.0750 8.1846 8.1846 8.3211 8.3211 9.1034 9.1034 9.1631 9.1631 12.2402 12.2402 13.0437 13.0437 13.6785 13.6785 16.0379 16.0379 20.5582 20.5582 20.9058 20.9058 21.1474 21.1474 k = 0.3333 0.5774 0.4377 ( 1752 PWs) bands (ev): -1.2165 -1.2165 -1.1374 -1.1374 4.4061 4.4061 7.3724 7.3724 7.4607 7.4607 8.0672 8.0672 8.1823 8.1823 8.3225 8.3225 9.0195 9.0195 9.0867 9.0867 12.1561 12.1561 13.0819 13.0819 13.7236 13.7236 16.0213 16.0213 20.5457 20.5457 20.8296 20.8296 21.1061 21.1061 k = 0.3333 0.5774 0.4509 ( 1752 PWs) bands (ev): -1.1852 -1.1852 -1.1055 -1.1055 4.4468 4.4468 7.3364 7.3364 7.4277 7.4277 8.0582 8.0582 8.1796 8.1796 8.3237 8.3237 8.9433 8.9433 9.0189 9.0189 12.0735 12.0735 13.1195 13.1195 13.7680 13.7680 16.0090 16.0090 20.5213 20.5213 20.7529 20.7529 21.0754 21.0754 k = 0.3333 0.5774 0.4642 ( 1752 PWs) bands (ev): -1.1548 -1.1548 -1.0746 -1.0746 4.4864 4.4864 7.2991 7.2991 7.3931 7.3931 8.0484 8.0484 8.1764 8.1764 8.3249 8.3249 8.8748 8.8748 8.9596 8.9596 11.9929 11.9929 13.1562 13.1562 13.8114 13.8114 16.0005 16.0005 20.4855 20.4855 20.6768 20.6768 21.0558 21.0558 k = 0.3333 0.5774 0.4774 ( 1758 PWs) bands (ev): -1.1256 -1.1256 -1.0449 -1.0449 4.5247 4.5247 7.2609 7.2609 7.3569 7.3569 8.0379 8.0379 8.1728 8.1728 8.3260 8.3260 8.8138 8.8138 8.9083 8.9083 11.9149 11.9149 13.1918 13.1918 13.8536 13.8536 15.9950 15.9950 20.4403 20.4403 20.6023 20.6023 21.0462 21.0462 k = 0.3333 0.5774 0.4907 ( 1758 PWs) bands (ev): -1.0976 -1.0976 -1.0164 -1.0164 4.5614 4.5614 7.2224 7.2224 7.3200 7.3200 8.0272 8.0272 8.1689 8.1689 8.3271 8.3271 8.7601 8.7601 8.8644 8.8644 11.8401 11.8401 13.2261 13.2261 13.8942 13.8942 15.9923 15.9923 20.3887 20.3887 20.5302 20.5302 21.0444 21.0444 k = 0.3333 0.5774 0.5040 ( 1758 PWs) bands (ev): -1.0711 -1.0711 -0.9894 -0.9894 4.5963 4.5963 7.1840 7.1840 7.2827 7.2827 8.0165 8.0165 8.1646 8.1646 8.3282 8.3282 8.7131 8.7131 8.8272 8.8272 11.7691 11.7691 13.2588 13.2588 13.9331 13.9331 15.9916 15.9916 20.3337 20.3337 20.4613 20.4613 21.0482 21.0482 k = 0.3333 0.5774 0.5172 ( 1758 PWs) bands (ev): -1.0462 -1.0462 -0.9641 -0.9641 4.6292 4.6292 7.1464 7.1464 7.2458 7.2458 8.0061 8.0061 8.1601 8.1601 8.3292 8.3292 8.6726 8.6726 8.7959 8.7959 11.7024 11.7024 13.2896 13.2896 13.9698 13.9698 15.9927 15.9927 20.2777 20.2777 20.3963 20.3963 21.0555 21.0555 k = 0.3333 0.5774 0.5305 ( 1758 PWs) bands (ev): -1.0231 -1.0231 -0.9405 -0.9405 4.6599 4.6599 7.1102 7.1102 7.2100 7.2100 7.9962 7.9962 8.1556 8.1556 8.3302 8.3302 8.6380 8.6380 8.7699 8.7699 11.6405 11.6405 13.3183 13.3183 14.0041 14.0041 15.9950 15.9950 20.2228 20.2228 20.3357 20.3357 21.0648 21.0648 k = 0.3333 0.5774 0.5437 ( 1758 PWs) bands (ev): -1.0020 -1.0020 -0.9190 -0.9190 4.6880 4.6880 7.0759 7.0759 7.1759 7.1759 7.9871 7.9871 8.1510 8.1510 8.3312 8.3312 8.6088 8.6088 8.7484 8.7484 11.5839 11.5839 13.3448 13.3448 14.0358 14.0358 15.9982 15.9982 20.1706 20.1706 20.2801 20.2801 21.0751 21.0751 k = 0.3333 0.5774 0.5570 ( 1746 PWs) bands (ev): -0.9829 -0.9829 -0.8995 -0.8995 4.7134 4.7134 7.0443 7.0443 7.1442 7.1442 7.9789 7.9789 8.1466 8.1466 8.3320 8.3320 8.5844 8.5844 8.7308 8.7308 11.5328 11.5328 13.3687 13.3687 14.0645 14.0645 16.0019 16.0019 20.1222 20.1222 20.2300 20.2300 21.0856 21.0856 k = 0.3333 0.5774 0.5703 ( 1746 PWs) bands (ev): -0.9661 -0.9661 -0.8824 -0.8824 4.7358 4.7358 7.0156 7.0156 7.1155 7.1155 7.9716 7.9716 8.1424 8.1424 8.3328 8.3328 8.5644 8.5644 8.7165 8.7165 11.4878 11.4878 13.3899 13.3899 14.0901 14.0901 16.0058 16.0058 20.0787 20.0787 20.1857 20.1857 21.0955 21.0955 k = 0.3333 0.5774 0.5835 ( 1746 PWs) bands (ev): -0.9516 -0.9516 -0.8676 -0.8676 4.7552 4.7552 6.9906 6.9906 7.0903 7.0903 7.9654 7.9654 8.1386 8.1386 8.3335 8.3335 8.5482 8.5482 8.7052 8.7052 11.4492 11.4492 13.4082 13.4082 14.1121 14.1121 16.0096 16.0096 20.0407 20.0407 20.1476 20.1476 21.1046 21.1046 k = 0.3333 0.5774 0.5968 ( 1740 PWs) bands (ev): -0.9396 -0.9396 -0.8554 -0.8554 4.7712 4.7712 6.9695 6.9695 7.0691 7.0691 7.9604 7.9604 8.1353 8.1353 8.3341 8.3341 8.5356 8.5356 8.6963 8.6963 11.4171 11.4171 13.4234 13.4234 14.1305 14.1305 16.0131 16.0131 20.0089 20.0089 20.1160 20.1160 21.1124 21.1124 k = 0.3333 0.5774 0.6101 ( 1743 PWs) bands (ev): -0.9302 -0.9302 -0.8458 -0.8458 4.7839 4.7839 6.9527 6.9527 7.0522 7.0522 7.9563 7.9563 8.1327 8.1327 8.3346 8.3346 8.5261 8.5261 8.6897 8.6897 11.3920 11.3920 13.4354 13.4354 14.1450 14.1450 16.0160 16.0160 19.9837 19.9837 20.0912 20.0912 21.1187 21.1187 k = 0.3333 0.5774 0.6233 ( 1743 PWs) bands (ev): -0.9234 -0.9234 -0.8389 -0.8389 4.7930 4.7930 6.9406 6.9406 7.0400 7.0400 7.9535 7.9535 8.1307 8.1307 8.3349 8.3349 8.5195 8.5195 8.6852 8.6852 11.3739 11.3739 13.4440 13.4440 14.1555 14.1555 16.0181 16.0181 19.9655 19.9655 20.0733 20.0733 21.1234 21.1234 k = 0.3333 0.5774 0.6366 ( 1740 PWs) bands (ev): -0.9193 -0.9193 -0.8347 -0.8347 4.7985 4.7985 6.9332 6.9332 7.0325 7.0325 7.9518 7.9518 8.1296 8.1296 8.3351 8.3351 8.5156 8.5156 8.6826 8.6826 11.3629 11.3629 13.4493 13.4493 14.1618 14.1618 16.0195 16.0195 19.9544 19.9544 20.0626 20.0626 21.1262 21.1262 k = 0.3333 0.5774 0.6498 ( 1740 PWs) bands (ev): -0.9180 -0.9180 -0.8333 -0.8333 4.8003 4.8003 6.9307 6.9307 7.0301 7.0301 7.9512 7.9512 8.1291 8.1291 8.3352 8.3352 8.5143 8.5143 8.6817 8.6817 11.3593 11.3593 13.4510 13.4510 14.1639 14.1639 16.0200 16.0200 19.9507 19.9507 20.0590 20.0590 21.1272 21.1272 Writing output data file ZnI2.save init_run : 0.51s CPU 0.68s WALL ( 1 calls) electrons : 58.06s CPU 59.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 58.06s CPU 59.50s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 392 calls) cegterg : 52.77s CPU 53.91s WALL ( 435 calls) Called by sum_band: Called by *egterg: h_psi : 26.51s CPU 27.36s WALL ( 6951 calls) s_psi : 1.90s CPU 1.83s WALL ( 6951 calls) g_psi : 0.06s CPU 0.07s WALL ( 6124 calls) cdiaghg : 23.13s CPU 23.49s WALL ( 6516 calls) cegterg:over : 1.72s CPU 1.75s WALL ( 6124 calls) cegterg:upda : 1.12s CPU 1.14s WALL ( 6124 calls) cegterg:last : 0.68s CPU 0.72s WALL ( 1219 calls) cdiaghg:chol : 1.08s CPU 1.18s WALL ( 6516 calls) cdiaghg:inve : 0.56s CPU 0.53s WALL ( 6516 calls) cdiaghg:para : 1.41s CPU 1.43s WALL ( 13032 calls) Called by h_psi: h_psi:vloc : 22.44s CPU 23.14s WALL ( 6951 calls) h_psi:vnl : 4.04s CPU 4.17s WALL ( 6951 calls) add_vuspsi : 2.24s CPU 2.33s WALL ( 6951 calls) General routines calbec : 1.79s CPU 1.83s WALL ( 6951 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 21.23s CPU 21.87s WALL ( 519296 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.13s WALL ( 784 calls) Parallel routines fft_scatter : 10.50s CPU 10.86s WALL ( 519319 calls) PWSCF : 1m 7.91s CPU 1m24.45s WALL This run was terminated on: 11:19:44 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=