Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:16:17 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: ./Li2Pd.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 66 50 14 1702 1115 174 Max 67 51 15 1707 1125 177 Sum 2395 1813 517 61341 40293 6293 bravais-lattice index = 14 lattice parameter (alat) = 7.9873 a.u. unit-cell volume = 285.2297 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.987305 celldm(2)= 1.000000 celldm(3)= 0.646343 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 0.646343 ) 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 1.547165 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 Li 3.00 6.94100 Li( 1.00) Pd 18.00 106.42000 Pd( 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= 419 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023866 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0023866 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0023866 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0023866 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0023866 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0023866 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0023866 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0023866 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0023866 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0023866 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0023866 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0023866 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0023866 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0023866 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0023866 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0023866 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0023866 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0023866 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0023866 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0023866 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0023866 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0023866 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0023866 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0023866 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0023866 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0023866 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0023866 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0023866 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0023866 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0023866 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0023866 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0023866 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0023866 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0023866 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0023866 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0023866 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0023866 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0023866 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0023866 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0023866 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0023866 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0023866 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0023866 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023866 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023866 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0023866 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0023866 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0023866 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0023866 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0023866 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0023866 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0023866 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0023866 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0023866 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0023866 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0023866 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0023866 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0023866 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0023866 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0023866 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0023866 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0023866 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0023866 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0023866 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0023866 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0023866 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0023866 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0023866 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0023866 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023866 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023866 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0023866 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0023866 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0023866 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0023866 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0023866 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0023866 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0023866 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0023866 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0023866 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0023866 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0023866 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0023866 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0023866 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0023866 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0023866 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0023866 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0023866 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0023866 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0023866 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0023866 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0023866 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0023866 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0023866 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0023866 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0023866 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0023866 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0023866 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0023866 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0023866 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0023866 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0023866 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0023866 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0023866 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0023866 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0023866 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0023866 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0023866 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0023866 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0023866 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0023866 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0023866 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0023866 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0023866 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0023866 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0023866 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0023866 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0023866 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0023866 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0023866 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023866 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023866 k( 123) = ( 0.0000000 0.0000000 0.0133376), wk = 0.0023866 k( 124) = ( 0.0000000 0.0000000 0.0266753), wk = 0.0023866 k( 125) = ( 0.0000000 0.0000000 0.0400129), wk = 0.0023866 k( 126) = ( 0.0000000 0.0000000 0.0533505), wk = 0.0023866 k( 127) = ( 0.0000000 0.0000000 0.0666881), wk = 0.0023866 k( 128) = ( 0.0000000 0.0000000 0.0800258), wk = 0.0023866 k( 129) = ( 0.0000000 0.0000000 0.0933634), wk = 0.0023866 k( 130) = ( 0.0000000 0.0000000 0.1067010), wk = 0.0023866 k( 131) = ( 0.0000000 0.0000000 0.1200387), wk = 0.0023866 k( 132) = ( 0.0000000 0.0000000 0.1333763), wk = 0.0023866 k( 133) = ( 0.0000000 0.0000000 0.1467139), wk = 0.0023866 k( 134) = ( 0.0000000 0.0000000 0.1600516), wk = 0.0023866 k( 135) = ( 0.0000000 0.0000000 0.1733892), wk = 0.0023866 k( 136) = ( 0.0000000 0.0000000 0.1867268), wk = 0.0023866 k( 137) = ( 0.0000000 0.0000000 0.2000644), wk = 0.0023866 k( 138) = ( 0.0000000 0.0000000 0.2134021), wk = 0.0023866 k( 139) = ( 0.0000000 0.0000000 0.2267397), wk = 0.0023866 k( 140) = ( 0.0000000 0.0000000 0.2400773), wk = 0.0023866 k( 141) = ( 0.0000000 0.0000000 0.2534149), wk = 0.0023866 k( 142) = ( 0.0000000 0.0000000 0.2667526), wk = 0.0023866 k( 143) = ( 0.0000000 0.0000000 0.2800902), wk = 0.0023866 k( 144) = ( 0.0000000 0.0000000 0.2934278), wk = 0.0023866 k( 145) = ( 0.0000000 0.0000000 0.3067655), wk = 0.0023866 k( 146) = ( 0.0000000 0.0000000 0.3201031), wk = 0.0023866 k( 147) = ( 0.0000000 0.0000000 0.3334407), wk = 0.0023866 k( 148) = ( 0.0000000 0.0000000 0.3467784), wk = 0.0023866 k( 149) = ( 0.0000000 0.0000000 0.3601160), wk = 0.0023866 k( 150) = ( 0.0000000 0.0000000 0.3734536), wk = 0.0023866 k( 151) = ( 0.0000000 0.0000000 0.3867912), wk = 0.0023866 k( 152) = ( 0.0000000 0.0000000 0.4001289), wk = 0.0023866 k( 153) = ( 0.0000000 0.0000000 0.4134665), wk = 0.0023866 k( 154) = ( 0.0000000 0.0000000 0.4268041), wk = 0.0023866 k( 155) = ( 0.0000000 0.0000000 0.4401418), wk = 0.0023866 k( 156) = ( 0.0000000 0.0000000 0.4534794), wk = 0.0023866 k( 157) = ( 0.0000000 0.0000000 0.4668170), wk = 0.0023866 k( 158) = ( 0.0000000 0.0000000 0.4801547), wk = 0.0023866 k( 159) = ( 0.0000000 0.0000000 0.4934923), wk = 0.0023866 k( 160) = ( 0.0000000 0.0000000 0.5068299), wk = 0.0023866 k( 161) = ( 0.0000000 0.0000000 0.5201675), wk = 0.0023866 k( 162) = ( 0.0000000 0.0000000 0.5335052), wk = 0.0023866 k( 163) = ( 0.0000000 0.0000000 0.5468428), wk = 0.0023866 k( 164) = ( 0.0000000 0.0000000 0.5601804), wk = 0.0023866 k( 165) = ( 0.0000000 0.0000000 0.5735181), wk = 0.0023866 k( 166) = ( 0.0000000 0.0000000 0.5868557), wk = 0.0023866 k( 167) = ( 0.0000000 0.0000000 0.6001933), wk = 0.0023866 k( 168) = ( 0.0000000 0.0000000 0.6135309), wk = 0.0023866 k( 169) = ( 0.0000000 0.0000000 0.6268686), wk = 0.0023866 k( 170) = ( 0.0000000 0.0000000 0.6402062), wk = 0.0023866 k( 171) = ( 0.0000000 0.0000000 0.6535438), wk = 0.0023866 k( 172) = ( 0.0000000 0.0000000 0.6668815), wk = 0.0023866 k( 173) = ( 0.0000000 0.0000000 0.6802191), wk = 0.0023866 k( 174) = ( 0.0000000 0.0000000 0.6935567), wk = 0.0023866 k( 175) = ( 0.0000000 0.0000000 0.7068943), wk = 0.0023866 k( 176) = ( 0.0000000 0.0000000 0.7202320), wk = 0.0023866 k( 177) = ( 0.0000000 0.0000000 0.7335696), wk = 0.0023866 k( 178) = ( 0.0000000 0.0000000 0.7469072), wk = 0.0023866 k( 179) = ( 0.0000000 0.0000000 0.7602449), wk = 0.0023866 k( 180) = ( 0.0000000 0.0000000 0.7735825), wk = 0.0023866 k( 181) = ( 0.0000000 0.0000000 0.7735825), wk = 0.0023866 k( 182) = ( 0.0116279 0.0067134 0.7735825), wk = 0.0023866 k( 183) = ( 0.0232558 0.0134267 0.7735825), wk = 0.0023866 k( 184) = ( 0.0348837 0.0201401 0.7735825), wk = 0.0023866 k( 185) = ( 0.0465116 0.0268535 0.7735825), wk = 0.0023866 k( 186) = ( 0.0581395 0.0335669 0.7735825), wk = 0.0023866 k( 187) = ( 0.0697674 0.0402803 0.7735825), wk = 0.0023866 k( 188) = ( 0.0813954 0.0469936 0.7735825), wk = 0.0023866 k( 189) = ( 0.0930233 0.0537070 0.7735825), wk = 0.0023866 k( 190) = ( 0.1046512 0.0604204 0.7735825), wk = 0.0023866 k( 191) = ( 0.1162791 0.0671338 0.7735825), wk = 0.0023866 k( 192) = ( 0.1279070 0.0738471 0.7735825), wk = 0.0023866 k( 193) = ( 0.1395349 0.0805605 0.7735825), wk = 0.0023866 k( 194) = ( 0.1511628 0.0872739 0.7735825), wk = 0.0023866 k( 195) = ( 0.1627907 0.0939873 0.7735825), wk = 0.0023866 k( 196) = ( 0.1744186 0.1007006 0.7735825), wk = 0.0023866 k( 197) = ( 0.1860465 0.1074140 0.7735825), wk = 0.0023866 k( 198) = ( 0.1976744 0.1141274 0.7735825), wk = 0.0023866 k( 199) = ( 0.2093023 0.1208408 0.7735825), wk = 0.0023866 k( 200) = ( 0.2209302 0.1275541 0.7735825), wk = 0.0023866 k( 201) = ( 0.2325581 0.1342675 0.7735825), wk = 0.0023866 k( 202) = ( 0.2441860 0.1409809 0.7735825), wk = 0.0023866 k( 203) = ( 0.2558140 0.1476943 0.7735825), wk = 0.0023866 k( 204) = ( 0.2674419 0.1544076 0.7735825), wk = 0.0023866 k( 205) = ( 0.2790698 0.1611210 0.7735825), wk = 0.0023866 k( 206) = ( 0.2906977 0.1678344 0.7735825), wk = 0.0023866 k( 207) = ( 0.3023256 0.1745478 0.7735825), wk = 0.0023866 k( 208) = ( 0.3139535 0.1812611 0.7735825), wk = 0.0023866 k( 209) = ( 0.3255814 0.1879745 0.7735825), wk = 0.0023866 k( 210) = ( 0.3372093 0.1946879 0.7735825), wk = 0.0023866 k( 211) = ( 0.3488372 0.2014013 0.7735825), wk = 0.0023866 k( 212) = ( 0.3604651 0.2081146 0.7735825), wk = 0.0023866 k( 213) = ( 0.3720930 0.2148280 0.7735825), wk = 0.0023866 k( 214) = ( 0.3837209 0.2215414 0.7735825), wk = 0.0023866 k( 215) = ( 0.3953488 0.2282548 0.7735825), wk = 0.0023866 k( 216) = ( 0.4069767 0.2349681 0.7735825), wk = 0.0023866 k( 217) = ( 0.4186047 0.2416815 0.7735825), wk = 0.0023866 k( 218) = ( 0.4302326 0.2483949 0.7735825), wk = 0.0023866 k( 219) = ( 0.4418605 0.2551083 0.7735825), wk = 0.0023866 k( 220) = ( 0.4534884 0.2618216 0.7735825), wk = 0.0023866 k( 221) = ( 0.4651163 0.2685350 0.7735825), wk = 0.0023866 k( 222) = ( 0.4767442 0.2752484 0.7735825), wk = 0.0023866 k( 223) = ( 0.4883721 0.2819618 0.7735825), wk = 0.0023866 k( 224) = ( 0.5000000 0.2886751 0.7735825), wk = 0.0023866 k( 225) = ( 0.5000000 0.2886751 0.7735825), wk = 0.0023866 k( 226) = ( 0.4933333 0.3002221 0.7735825), wk = 0.0023866 k( 227) = ( 0.4866667 0.3117692 0.7735825), wk = 0.0023866 k( 228) = ( 0.4800000 0.3233162 0.7735825), wk = 0.0023866 k( 229) = ( 0.4733333 0.3348632 0.7735825), wk = 0.0023866 k( 230) = ( 0.4666667 0.3464102 0.7735825), wk = 0.0023866 k( 231) = ( 0.4600000 0.3579572 0.7735825), wk = 0.0023866 k( 232) = ( 0.4533333 0.3695042 0.7735825), wk = 0.0023866 k( 233) = ( 0.4466667 0.3810512 0.7735825), wk = 0.0023866 k( 234) = ( 0.4400000 0.3925982 0.7735825), wk = 0.0023866 k( 235) = ( 0.4333333 0.4041452 0.7735825), wk = 0.0023866 k( 236) = ( 0.4266667 0.4156922 0.7735825), wk = 0.0023866 k( 237) = ( 0.4200000 0.4272392 0.7735825), wk = 0.0023866 k( 238) = ( 0.4133333 0.4387862 0.7735825), wk = 0.0023866 k( 239) = ( 0.4066667 0.4503332 0.7735825), wk = 0.0023866 k( 240) = ( 0.4000000 0.4618802 0.7735825), wk = 0.0023866 k( 241) = ( 0.3933333 0.4734272 0.7735825), wk = 0.0023866 k( 242) = ( 0.3866667 0.4849742 0.7735825), wk = 0.0023866 k( 243) = ( 0.3800000 0.4965212 0.7735825), wk = 0.0023866 k( 244) = ( 0.3733333 0.5080682 0.7735825), wk = 0.0023866 k( 245) = ( 0.3666667 0.5196152 0.7735825), wk = 0.0023866 k( 246) = ( 0.3600000 0.5311622 0.7735825), wk = 0.0023866 k( 247) = ( 0.3533333 0.5427092 0.7735825), wk = 0.0023866 k( 248) = ( 0.3466667 0.5542563 0.7735825), wk = 0.0023866 k( 249) = ( 0.3400000 0.5658033 0.7735825), wk = 0.0023866 k( 250) = ( 0.3333333 0.5773503 0.7735825), wk = 0.0023866 k( 251) = ( 0.3333333 0.5773503 0.7735825), wk = 0.0023866 k( 252) = ( 0.3266667 0.5658033 0.7735825), wk = 0.0023866 k( 253) = ( 0.3200000 0.5542563 0.7735825), wk = 0.0023866 k( 254) = ( 0.3133333 0.5427092 0.7735825), wk = 0.0023866 k( 255) = ( 0.3066667 0.5311623 0.7735825), wk = 0.0023866 k( 256) = ( 0.3000000 0.5196152 0.7735825), wk = 0.0023866 k( 257) = ( 0.2933333 0.5080682 0.7735825), wk = 0.0023866 k( 258) = ( 0.2866667 0.4965212 0.7735825), wk = 0.0023866 k( 259) = ( 0.2800000 0.4849742 0.7735825), wk = 0.0023866 k( 260) = ( 0.2733333 0.4734272 0.7735825), wk = 0.0023866 k( 261) = ( 0.2666667 0.4618802 0.7735825), wk = 0.0023866 k( 262) = ( 0.2600000 0.4503332 0.7735825), wk = 0.0023866 k( 263) = ( 0.2533333 0.4387862 0.7735825), wk = 0.0023866 k( 264) = ( 0.2466667 0.4272392 0.7735825), wk = 0.0023866 k( 265) = ( 0.2400000 0.4156922 0.7735825), wk = 0.0023866 k( 266) = ( 0.2333333 0.4041452 0.7735825), wk = 0.0023866 k( 267) = ( 0.2266667 0.3925982 0.7735825), wk = 0.0023866 k( 268) = ( 0.2200000 0.3810512 0.7735825), wk = 0.0023866 k( 269) = ( 0.2133333 0.3695042 0.7735825), wk = 0.0023866 k( 270) = ( 0.2066667 0.3579572 0.7735825), wk = 0.0023866 k( 271) = ( 0.2000000 0.3464102 0.7735825), wk = 0.0023866 k( 272) = ( 0.1933333 0.3348632 0.7735825), wk = 0.0023866 k( 273) = ( 0.1866667 0.3233162 0.7735825), wk = 0.0023866 k( 274) = ( 0.1800000 0.3117691 0.7735825), wk = 0.0023866 k( 275) = ( 0.1733333 0.3002221 0.7735825), wk = 0.0023866 k( 276) = ( 0.1666667 0.2886751 0.7735825), wk = 0.0023866 k( 277) = ( 0.1600000 0.2771281 0.7735825), wk = 0.0023866 k( 278) = ( 0.1533333 0.2655811 0.7735825), wk = 0.0023866 k( 279) = ( 0.1466667 0.2540341 0.7735825), wk = 0.0023866 k( 280) = ( 0.1400000 0.2424871 0.7735825), wk = 0.0023866 k( 281) = ( 0.1333333 0.2309401 0.7735825), wk = 0.0023866 k( 282) = ( 0.1266667 0.2193931 0.7735825), wk = 0.0023866 k( 283) = ( 0.1200000 0.2078461 0.7735825), wk = 0.0023866 k( 284) = ( 0.1133333 0.1962991 0.7735825), wk = 0.0023866 k( 285) = ( 0.1066667 0.1847521 0.7735825), wk = 0.0023866 k( 286) = ( 0.1000000 0.1732051 0.7735825), wk = 0.0023866 k( 287) = ( 0.0933333 0.1616581 0.7735825), wk = 0.0023866 k( 288) = ( 0.0866667 0.1501111 0.7735825), wk = 0.0023866 k( 289) = ( 0.0800000 0.1385641 0.7735825), wk = 0.0023866 k( 290) = ( 0.0733333 0.1270171 0.7735825), wk = 0.0023866 k( 291) = ( 0.0666667 0.1154701 0.7735825), wk = 0.0023866 k( 292) = ( 0.0600000 0.1039230 0.7735825), wk = 0.0023866 k( 293) = ( 0.0533333 0.0923760 0.7735825), wk = 0.0023866 k( 294) = ( 0.0466667 0.0808290 0.7735825), wk = 0.0023866 k( 295) = ( 0.0400000 0.0692820 0.7735825), wk = 0.0023866 k( 296) = ( 0.0333333 0.0577350 0.7735825), wk = 0.0023866 k( 297) = ( 0.0266667 0.0461880 0.7735825), wk = 0.0023866 k( 298) = ( 0.0200000 0.0346410 0.7735825), wk = 0.0023866 k( 299) = ( 0.0133333 0.0230940 0.7735825), wk = 0.0023866 k( 300) = ( 0.0066667 0.0115470 0.7735825), wk = 0.0023866 k( 301) = ( 0.0000000 0.0000000 0.7735825), wk = 0.0023866 k( 302) = ( 0.5000000 0.2886751 0.7735825), wk = 0.0023866 k( 303) = ( 0.5000000 0.2886751 0.7602449), wk = 0.0023866 k( 304) = ( 0.5000000 0.2886751 0.7469072), wk = 0.0023866 k( 305) = ( 0.5000000 0.2886751 0.7335696), wk = 0.0023866 k( 306) = ( 0.5000000 0.2886751 0.7202320), wk = 0.0023866 k( 307) = ( 0.5000000 0.2886751 0.7068943), wk = 0.0023866 k( 308) = ( 0.5000000 0.2886751 0.6935567), wk = 0.0023866 k( 309) = ( 0.5000000 0.2886751 0.6802191), wk = 0.0023866 k( 310) = ( 0.5000000 0.2886751 0.6668815), wk = 0.0023866 k( 311) = ( 0.5000000 0.2886751 0.6535438), wk = 0.0023866 k( 312) = ( 0.5000000 0.2886751 0.6402062), wk = 0.0023866 k( 313) = ( 0.5000000 0.2886751 0.6268686), wk = 0.0023866 k( 314) = ( 0.5000000 0.2886751 0.6135309), wk = 0.0023866 k( 315) = ( 0.5000000 0.2886751 0.6001933), wk = 0.0023866 k( 316) = ( 0.5000000 0.2886751 0.5868557), wk = 0.0023866 k( 317) = ( 0.5000000 0.2886751 0.5735181), wk = 0.0023866 k( 318) = ( 0.5000000 0.2886751 0.5601804), wk = 0.0023866 k( 319) = ( 0.5000000 0.2886751 0.5468428), wk = 0.0023866 k( 320) = ( 0.5000000 0.2886751 0.5335052), wk = 0.0023866 k( 321) = ( 0.5000000 0.2886751 0.5201675), wk = 0.0023866 k( 322) = ( 0.5000000 0.2886751 0.5068299), wk = 0.0023866 k( 323) = ( 0.5000000 0.2886751 0.4934923), wk = 0.0023866 k( 324) = ( 0.5000000 0.2886751 0.4801547), wk = 0.0023866 k( 325) = ( 0.5000000 0.2886751 0.4668170), wk = 0.0023866 k( 326) = ( 0.5000000 0.2886751 0.4534794), wk = 0.0023866 k( 327) = ( 0.5000000 0.2886751 0.4401418), wk = 0.0023866 k( 328) = ( 0.5000000 0.2886751 0.4268041), wk = 0.0023866 k( 329) = ( 0.5000000 0.2886751 0.4134665), wk = 0.0023866 k( 330) = ( 0.5000000 0.2886751 0.4001289), wk = 0.0023866 k( 331) = ( 0.5000000 0.2886751 0.3867912), wk = 0.0023866 k( 332) = ( 0.5000000 0.2886751 0.3734536), wk = 0.0023866 k( 333) = ( 0.5000000 0.2886751 0.3601160), wk = 0.0023866 k( 334) = ( 0.5000000 0.2886751 0.3467784), wk = 0.0023866 k( 335) = ( 0.5000000 0.2886751 0.3334407), wk = 0.0023866 k( 336) = ( 0.5000000 0.2886751 0.3201031), wk = 0.0023866 k( 337) = ( 0.5000000 0.2886751 0.3067655), wk = 0.0023866 k( 338) = ( 0.5000000 0.2886751 0.2934278), wk = 0.0023866 k( 339) = ( 0.5000000 0.2886751 0.2800902), wk = 0.0023866 k( 340) = ( 0.5000000 0.2886751 0.2667526), wk = 0.0023866 k( 341) = ( 0.5000000 0.2886751 0.2534149), wk = 0.0023866 k( 342) = ( 0.5000000 0.2886751 0.2400773), wk = 0.0023866 k( 343) = ( 0.5000000 0.2886751 0.2267397), wk = 0.0023866 k( 344) = ( 0.5000000 0.2886751 0.2134021), wk = 0.0023866 k( 345) = ( 0.5000000 0.2886751 0.2000644), wk = 0.0023866 k( 346) = ( 0.5000000 0.2886751 0.1867268), wk = 0.0023866 k( 347) = ( 0.5000000 0.2886751 0.1733892), wk = 0.0023866 k( 348) = ( 0.5000000 0.2886751 0.1600516), wk = 0.0023866 k( 349) = ( 0.5000000 0.2886751 0.1467139), wk = 0.0023866 k( 350) = ( 0.5000000 0.2886751 0.1333763), wk = 0.0023866 k( 351) = ( 0.5000000 0.2886751 0.1200387), wk = 0.0023866 k( 352) = ( 0.5000000 0.2886751 0.1067010), wk = 0.0023866 k( 353) = ( 0.5000000 0.2886751 0.0933634), wk = 0.0023866 k( 354) = ( 0.5000000 0.2886751 0.0800258), wk = 0.0023866 k( 355) = ( 0.5000000 0.2886751 0.0666881), wk = 0.0023866 k( 356) = ( 0.5000000 0.2886751 0.0533505), wk = 0.0023866 k( 357) = ( 0.5000000 0.2886751 0.0400129), wk = 0.0023866 k( 358) = ( 0.5000000 0.2886751 0.0266753), wk = 0.0023866 k( 359) = ( 0.5000000 0.2886751 0.0133376), wk = 0.0023866 k( 360) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023866 k( 361) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023866 k( 362) = ( 0.3333333 0.5773503 0.0133376), wk = 0.0023866 k( 363) = ( 0.3333333 0.5773503 0.0266753), wk = 0.0023866 k( 364) = ( 0.3333333 0.5773503 0.0400129), wk = 0.0023866 k( 365) = ( 0.3333333 0.5773503 0.0533505), wk = 0.0023866 k( 366) = ( 0.3333333 0.5773503 0.0666881), wk = 0.0023866 k( 367) = ( 0.3333333 0.5773503 0.0800258), wk = 0.0023866 k( 368) = ( 0.3333333 0.5773503 0.0933634), wk = 0.0023866 k( 369) = ( 0.3333333 0.5773503 0.1067010), wk = 0.0023866 k( 370) = ( 0.3333333 0.5773503 0.1200387), wk = 0.0023866 k( 371) = ( 0.3333333 0.5773503 0.1333763), wk = 0.0023866 k( 372) = ( 0.3333333 0.5773503 0.1467139), wk = 0.0023866 k( 373) = ( 0.3333333 0.5773503 0.1600516), wk = 0.0023866 k( 374) = ( 0.3333333 0.5773503 0.1733892), wk = 0.0023866 k( 375) = ( 0.3333333 0.5773503 0.1867268), wk = 0.0023866 k( 376) = ( 0.3333333 0.5773503 0.2000644), wk = 0.0023866 k( 377) = ( 0.3333333 0.5773503 0.2134021), wk = 0.0023866 k( 378) = ( 0.3333333 0.5773503 0.2267397), wk = 0.0023866 k( 379) = ( 0.3333333 0.5773503 0.2400773), wk = 0.0023866 k( 380) = ( 0.3333333 0.5773503 0.2534149), wk = 0.0023866 k( 381) = ( 0.3333333 0.5773503 0.2667526), wk = 0.0023866 k( 382) = ( 0.3333333 0.5773503 0.2800902), wk = 0.0023866 k( 383) = ( 0.3333333 0.5773503 0.2934278), wk = 0.0023866 k( 384) = ( 0.3333333 0.5773503 0.3067655), wk = 0.0023866 k( 385) = ( 0.3333333 0.5773503 0.3201031), wk = 0.0023866 k( 386) = ( 0.3333333 0.5773503 0.3334407), wk = 0.0023866 k( 387) = ( 0.3333333 0.5773503 0.3467784), wk = 0.0023866 k( 388) = ( 0.3333333 0.5773503 0.3601160), wk = 0.0023866 k( 389) = ( 0.3333333 0.5773503 0.3734536), wk = 0.0023866 k( 390) = ( 0.3333333 0.5773503 0.3867912), wk = 0.0023866 k( 391) = ( 0.3333333 0.5773503 0.4001289), wk = 0.0023866 k( 392) = ( 0.3333333 0.5773503 0.4134665), wk = 0.0023866 k( 393) = ( 0.3333333 0.5773503 0.4268041), wk = 0.0023866 k( 394) = ( 0.3333333 0.5773503 0.4401418), wk = 0.0023866 k( 395) = ( 0.3333333 0.5773503 0.4534794), wk = 0.0023866 k( 396) = ( 0.3333333 0.5773503 0.4668170), wk = 0.0023866 k( 397) = ( 0.3333333 0.5773503 0.4801547), wk = 0.0023866 k( 398) = ( 0.3333333 0.5773503 0.4934923), wk = 0.0023866 k( 399) = ( 0.3333333 0.5773503 0.5068299), wk = 0.0023866 k( 400) = ( 0.3333333 0.5773503 0.5201675), wk = 0.0023866 k( 401) = ( 0.3333333 0.5773503 0.5335052), wk = 0.0023866 k( 402) = ( 0.3333333 0.5773503 0.5468428), wk = 0.0023866 k( 403) = ( 0.3333333 0.5773503 0.5601804), wk = 0.0023866 k( 404) = ( 0.3333333 0.5773503 0.5735181), wk = 0.0023866 k( 405) = ( 0.3333333 0.5773503 0.5868557), wk = 0.0023866 k( 406) = ( 0.3333333 0.5773503 0.6001933), wk = 0.0023866 k( 407) = ( 0.3333333 0.5773503 0.6135309), wk = 0.0023866 k( 408) = ( 0.3333333 0.5773503 0.6268686), wk = 0.0023866 k( 409) = ( 0.3333333 0.5773503 0.6402062), wk = 0.0023866 k( 410) = ( 0.3333333 0.5773503 0.6535438), wk = 0.0023866 k( 411) = ( 0.3333333 0.5773503 0.6668815), wk = 0.0023866 k( 412) = ( 0.3333333 0.5773503 0.6802191), wk = 0.0023866 k( 413) = ( 0.3333333 0.5773503 0.6935567), wk = 0.0023866 k( 414) = ( 0.3333333 0.5773503 0.7068943), wk = 0.0023866 k( 415) = ( 0.3333333 0.5773503 0.7202320), wk = 0.0023866 k( 416) = ( 0.3333333 0.5773503 0.7335696), wk = 0.0023866 k( 417) = ( 0.3333333 0.5773503 0.7469072), wk = 0.0023866 k( 418) = ( 0.3333333 0.5773503 0.7602449), wk = 0.0023866 k( 419) = ( 0.3333333 0.5773503 0.7735825), wk = 0.0023866 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023866 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0023866 k( 3) = ( 0.0232558 0.0000000 -0.0000000), wk = 0.0023866 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0023866 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0023866 k( 6) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0023866 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0023866 k( 8) = ( 0.0813954 0.0000000 0.0000000), wk = 0.0023866 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0023866 k( 10) = ( 0.1046512 0.0000000 0.0000000), wk = 0.0023866 k( 11) = ( 0.1162791 0.0000000 -0.0000000), wk = 0.0023866 k( 12) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0023866 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0023866 k( 14) = ( 0.1511628 0.0000000 -0.0000000), wk = 0.0023866 k( 15) = ( 0.1627907 0.0000000 0.0000000), wk = 0.0023866 k( 16) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0023866 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0023866 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0023866 k( 19) = ( 0.2093023 0.0000000 0.0000000), wk = 0.0023866 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0023866 k( 21) = ( 0.2325581 0.0000000 -0.0000000), wk = 0.0023866 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0023866 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0023866 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0023866 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0023866 k( 26) = ( 0.2906977 0.0000000 0.0000000), wk = 0.0023866 k( 27) = ( 0.3023256 0.0000000 -0.0000000), wk = 0.0023866 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0023866 k( 29) = ( 0.3255814 0.0000000 0.0000000), wk = 0.0023866 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0023866 k( 31) = ( 0.3488372 -0.0000000 0.0000000), wk = 0.0023866 k( 32) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0023866 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0023866 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0023866 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0023866 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0023866 k( 37) = ( 0.4186047 -0.0000000 -0.0000000), wk = 0.0023866 k( 38) = ( 0.4302326 0.0000000 -0.0000000), wk = 0.0023866 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0023866 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0023866 k( 41) = ( 0.4651163 0.0000000 -0.0000000), wk = 0.0023866 k( 42) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0023866 k( 43) = ( 0.4883721 0.0000000 -0.0000000), wk = 0.0023866 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023866 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023866 k( 46) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0023866 k( 47) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0023866 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0023866 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0023866 k( 50) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0023866 k( 51) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0023866 k( 52) = ( 0.4533333 0.0933333 -0.0000000), wk = 0.0023866 k( 53) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0023866 k( 54) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0023866 k( 55) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0023866 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0023866 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0023866 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0023866 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0023866 k( 60) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0023866 k( 61) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0023866 k( 62) = ( 0.3866667 0.2266667 -0.0000000), wk = 0.0023866 k( 63) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0023866 k( 64) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0023866 k( 65) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0023866 k( 66) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0023866 k( 67) = ( 0.3533333 0.2933333 -0.0000000), wk = 0.0023866 k( 68) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0023866 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0023866 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023866 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023866 k( 72) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0023866 k( 73) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0023866 k( 74) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0023866 k( 75) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0023866 k( 76) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0023866 k( 77) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0023866 k( 78) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0023866 k( 79) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0023866 k( 80) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0023866 k( 81) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0023866 k( 82) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0023866 k( 83) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0023866 k( 84) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0023866 k( 85) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0023866 k( 86) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0023866 k( 87) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0023866 k( 88) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0023866 k( 89) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0023866 k( 90) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0023866 k( 91) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0023866 k( 92) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0023866 k( 93) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0023866 k( 94) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0023866 k( 95) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0023866 k( 96) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0023866 k( 97) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0023866 k( 98) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0023866 k( 99) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0023866 k( 100) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0023866 k( 101) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0023866 k( 102) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0023866 k( 103) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0023866 k( 104) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0023866 k( 105) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0023866 k( 106) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0023866 k( 107) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0023866 k( 108) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0023866 k( 109) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0023866 k( 110) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0023866 k( 111) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0023866 k( 112) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0023866 k( 113) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0023866 k( 114) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0023866 k( 115) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0023866 k( 116) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0023866 k( 117) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0023866 k( 118) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0023866 k( 119) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0023866 k( 120) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0023866 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023866 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023866 k( 123) = ( 0.0000000 0.0000000 0.0086207), wk = 0.0023866 k( 124) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0023866 k( 125) = ( 0.0000000 0.0000000 0.0258621), wk = 0.0023866 k( 126) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0023866 k( 127) = ( 0.0000000 0.0000000 0.0431034), wk = 0.0023866 k( 128) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0023866 k( 129) = ( 0.0000000 0.0000000 0.0603448), wk = 0.0023866 k( 130) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0023866 k( 131) = ( 0.0000000 0.0000000 0.0775862), wk = 0.0023866 k( 132) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0023866 k( 133) = ( 0.0000000 0.0000000 0.0948276), wk = 0.0023866 k( 134) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0023866 k( 135) = ( 0.0000000 0.0000000 0.1120690), wk = 0.0023866 k( 136) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0023866 k( 137) = ( 0.0000000 0.0000000 0.1293103), wk = 0.0023866 k( 138) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0023866 k( 139) = ( 0.0000000 0.0000000 0.1465517), wk = 0.0023866 k( 140) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0023866 k( 141) = ( 0.0000000 0.0000000 0.1637931), wk = 0.0023866 k( 142) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0023866 k( 143) = ( 0.0000000 0.0000000 0.1810345), wk = 0.0023866 k( 144) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0023866 k( 145) = ( 0.0000000 0.0000000 0.1982759), wk = 0.0023866 k( 146) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0023866 k( 147) = ( 0.0000000 0.0000000 0.2155172), wk = 0.0023866 k( 148) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0023866 k( 149) = ( 0.0000000 0.0000000 0.2327586), wk = 0.0023866 k( 150) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0023866 k( 151) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023866 k( 152) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0023866 k( 153) = ( 0.0000000 0.0000000 0.2672414), wk = 0.0023866 k( 154) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0023866 k( 155) = ( 0.0000000 0.0000000 0.2844828), wk = 0.0023866 k( 156) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0023866 k( 157) = ( 0.0000000 0.0000000 0.3017241), wk = 0.0023866 k( 158) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0023866 k( 159) = ( 0.0000000 0.0000000 0.3189655), wk = 0.0023866 k( 160) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0023866 k( 161) = ( 0.0000000 0.0000000 0.3362069), wk = 0.0023866 k( 162) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0023866 k( 163) = ( 0.0000000 0.0000000 0.3534483), wk = 0.0023866 k( 164) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0023866 k( 165) = ( 0.0000000 0.0000000 0.3706897), wk = 0.0023866 k( 166) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0023866 k( 167) = ( 0.0000000 0.0000000 0.3879310), wk = 0.0023866 k( 168) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0023866 k( 169) = ( 0.0000000 0.0000000 0.4051724), wk = 0.0023866 k( 170) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0023866 k( 171) = ( 0.0000000 0.0000000 0.4224138), wk = 0.0023866 k( 172) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0023866 k( 173) = ( 0.0000000 0.0000000 0.4396552), wk = 0.0023866 k( 174) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0023866 k( 175) = ( 0.0000000 0.0000000 0.4568965), wk = 0.0023866 k( 176) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0023866 k( 177) = ( 0.0000000 0.0000000 0.4741379), wk = 0.0023866 k( 178) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0023866 k( 179) = ( 0.0000000 0.0000000 0.4913793), wk = 0.0023866 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023866 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023866 k( 182) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0023866 k( 183) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0023866 k( 184) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0023866 k( 185) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0023866 k( 186) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0023866 k( 187) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0023866 k( 188) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0023866 k( 189) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0023866 k( 190) = ( 0.1046512 0.0000000 0.5000000), wk = 0.0023866 k( 191) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0023866 k( 192) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0023866 k( 193) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0023866 k( 194) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0023866 k( 195) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0023866 k( 196) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0023866 k( 197) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0023866 k( 198) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0023866 k( 199) = ( 0.2093023 0.0000000 0.5000000), wk = 0.0023866 k( 200) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0023866 k( 201) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0023866 k( 202) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0023866 k( 203) = ( 0.2558140 -0.0000000 0.5000000), wk = 0.0023866 k( 204) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0023866 k( 205) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0023866 k( 206) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0023866 k( 207) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0023866 k( 208) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0023866 k( 209) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0023866 k( 210) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0023866 k( 211) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0023866 k( 212) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0023866 k( 213) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0023866 k( 214) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0023866 k( 215) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0023866 k( 216) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0023866 k( 217) = ( 0.4186047 -0.0000000 0.5000000), wk = 0.0023866 k( 218) = ( 0.4302326 0.0000000 0.5000000), wk = 0.0023866 k( 219) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0023866 k( 220) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0023866 k( 221) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0023866 k( 222) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0023866 k( 223) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0023866 k( 224) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023866 k( 225) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023866 k( 226) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0023866 k( 227) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0023866 k( 228) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0023866 k( 229) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0023866 k( 230) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0023866 k( 231) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0023866 k( 232) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0023866 k( 233) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0023866 k( 234) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0023866 k( 235) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0023866 k( 236) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0023866 k( 237) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0023866 k( 238) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0023866 k( 239) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0023866 k( 240) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0023866 k( 241) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0023866 k( 242) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0023866 k( 243) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0023866 k( 244) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0023866 k( 245) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0023866 k( 246) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0023866 k( 247) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0023866 k( 248) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0023866 k( 249) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0023866 k( 250) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023866 k( 251) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023866 k( 252) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0023866 k( 253) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0023866 k( 254) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0023866 k( 255) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0023866 k( 256) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0023866 k( 257) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0023866 k( 258) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0023866 k( 259) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0023866 k( 260) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0023866 k( 261) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0023866 k( 262) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0023866 k( 263) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0023866 k( 264) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0023866 k( 265) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0023866 k( 266) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0023866 k( 267) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0023866 k( 268) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0023866 k( 269) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0023866 k( 270) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0023866 k( 271) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0023866 k( 272) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0023866 k( 273) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0023866 k( 274) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0023866 k( 275) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0023866 k( 276) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0023866 k( 277) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0023866 k( 278) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0023866 k( 279) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0023866 k( 280) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0023866 k( 281) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0023866 k( 282) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0023866 k( 283) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0023866 k( 284) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0023866 k( 285) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0023866 k( 286) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0023866 k( 287) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0023866 k( 288) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0023866 k( 289) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0023866 k( 290) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0023866 k( 291) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0023866 k( 292) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0023866 k( 293) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0023866 k( 294) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0023866 k( 295) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0023866 k( 296) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0023866 k( 297) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0023866 k( 298) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0023866 k( 299) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0023866 k( 300) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0023866 k( 301) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023866 k( 302) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023866 k( 303) = ( 0.5000000 0.0000000 0.4913793), wk = 0.0023866 k( 304) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0023866 k( 305) = ( 0.5000000 0.0000000 0.4741379), wk = 0.0023866 k( 306) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0023866 k( 307) = ( 0.5000000 0.0000000 0.4568965), wk = 0.0023866 k( 308) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0023866 k( 309) = ( 0.5000000 0.0000000 0.4396552), wk = 0.0023866 k( 310) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0023866 k( 311) = ( 0.5000000 0.0000000 0.4224138), wk = 0.0023866 k( 312) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0023866 k( 313) = ( 0.5000000 0.0000000 0.4051724), wk = 0.0023866 k( 314) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0023866 k( 315) = ( 0.5000000 0.0000000 0.3879310), wk = 0.0023866 k( 316) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0023866 k( 317) = ( 0.5000000 0.0000000 0.3706897), wk = 0.0023866 k( 318) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0023866 k( 319) = ( 0.5000000 0.0000000 0.3534483), wk = 0.0023866 k( 320) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0023866 k( 321) = ( 0.5000000 0.0000000 0.3362069), wk = 0.0023866 k( 322) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0023866 k( 323) = ( 0.5000000 0.0000000 0.3189655), wk = 0.0023866 k( 324) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0023866 k( 325) = ( 0.5000000 0.0000000 0.3017241), wk = 0.0023866 k( 326) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0023866 k( 327) = ( 0.5000000 0.0000000 0.2844828), wk = 0.0023866 k( 328) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0023866 k( 329) = ( 0.5000000 0.0000000 0.2672414), wk = 0.0023866 k( 330) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0023866 k( 331) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0023866 k( 332) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0023866 k( 333) = ( 0.5000000 0.0000000 0.2327586), wk = 0.0023866 k( 334) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0023866 k( 335) = ( 0.5000000 0.0000000 0.2155172), wk = 0.0023866 k( 336) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0023866 k( 337) = ( 0.5000000 0.0000000 0.1982759), wk = 0.0023866 k( 338) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0023866 k( 339) = ( 0.5000000 0.0000000 0.1810345), wk = 0.0023866 k( 340) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0023866 k( 341) = ( 0.5000000 0.0000000 0.1637931), wk = 0.0023866 k( 342) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0023866 k( 343) = ( 0.5000000 0.0000000 0.1465517), wk = 0.0023866 k( 344) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0023866 k( 345) = ( 0.5000000 0.0000000 0.1293103), wk = 0.0023866 k( 346) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0023866 k( 347) = ( 0.5000000 0.0000000 0.1120690), wk = 0.0023866 k( 348) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0023866 k( 349) = ( 0.5000000 0.0000000 0.0948276), wk = 0.0023866 k( 350) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0023866 k( 351) = ( 0.5000000 0.0000000 0.0775862), wk = 0.0023866 k( 352) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0023866 k( 353) = ( 0.5000000 0.0000000 0.0603448), wk = 0.0023866 k( 354) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0023866 k( 355) = ( 0.5000000 0.0000000 0.0431035), wk = 0.0023866 k( 356) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0023866 k( 357) = ( 0.5000000 0.0000000 0.0258621), wk = 0.0023866 k( 358) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0023866 k( 359) = ( 0.5000000 0.0000000 0.0086207), wk = 0.0023866 k( 360) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023866 k( 361) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023866 k( 362) = ( 0.3333333 0.3333333 0.0086207), wk = 0.0023866 k( 363) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0023866 k( 364) = ( 0.3333333 0.3333333 0.0258621), wk = 0.0023866 k( 365) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0023866 k( 366) = ( 0.3333333 0.3333333 0.0431035), wk = 0.0023866 k( 367) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0023866 k( 368) = ( 0.3333333 0.3333333 0.0603448), wk = 0.0023866 k( 369) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0023866 k( 370) = ( 0.3333333 0.3333333 0.0775862), wk = 0.0023866 k( 371) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0023866 k( 372) = ( 0.3333333 0.3333333 0.0948276), wk = 0.0023866 k( 373) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0023866 k( 374) = ( 0.3333333 0.3333333 0.1120690), wk = 0.0023866 k( 375) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0023866 k( 376) = ( 0.3333333 0.3333333 0.1293103), wk = 0.0023866 k( 377) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0023866 k( 378) = ( 0.3333333 0.3333333 0.1465517), wk = 0.0023866 k( 379) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0023866 k( 380) = ( 0.3333333 0.3333333 0.1637931), wk = 0.0023866 k( 381) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0023866 k( 382) = ( 0.3333333 0.3333333 0.1810345), wk = 0.0023866 k( 383) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0023866 k( 384) = ( 0.3333333 0.3333333 0.1982759), wk = 0.0023866 k( 385) = ( 0.3333333 0.3333333 0.2068966), wk = 0.0023866 k( 386) = ( 0.3333333 0.3333333 0.2155172), wk = 0.0023866 k( 387) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0023866 k( 388) = ( 0.3333333 0.3333333 0.2327586), wk = 0.0023866 k( 389) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0023866 k( 390) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0023866 k( 391) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0023866 k( 392) = ( 0.3333333 0.3333333 0.2672414), wk = 0.0023866 k( 393) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0023866 k( 394) = ( 0.3333333 0.3333333 0.2844828), wk = 0.0023866 k( 395) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0023866 k( 396) = ( 0.3333333 0.3333333 0.3017241), wk = 0.0023866 k( 397) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0023866 k( 398) = ( 0.3333333 0.3333333 0.3189655), wk = 0.0023866 k( 399) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0023866 k( 400) = ( 0.3333333 0.3333333 0.3362069), wk = 0.0023866 k( 401) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0023866 k( 402) = ( 0.3333333 0.3333333 0.3534483), wk = 0.0023866 k( 403) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0023866 k( 404) = ( 0.3333333 0.3333333 0.3706897), wk = 0.0023866 k( 405) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0023866 k( 406) = ( 0.3333333 0.3333333 0.3879310), wk = 0.0023866 k( 407) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0023866 k( 408) = ( 0.3333333 0.3333333 0.4051724), wk = 0.0023866 k( 409) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0023866 k( 410) = ( 0.3333333 0.3333333 0.4224138), wk = 0.0023866 k( 411) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0023866 k( 412) = ( 0.3333333 0.3333333 0.4396552), wk = 0.0023866 k( 413) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0023866 k( 414) = ( 0.3333333 0.3333333 0.4568966), wk = 0.0023866 k( 415) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0023866 k( 416) = ( 0.3333333 0.3333333 0.4741379), wk = 0.0023866 k( 417) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0023866 k( 418) = ( 0.3333333 0.3333333 0.4913793), wk = 0.0023866 k( 419) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023866 Dense grid: 61341 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 40293 G-vectors FFT dimensions: ( 54, 54, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 280, 32) NL pseudopotentials 0.13 Mb ( 140, 62) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1707) G-vector shells 0.01 Mb ( 782) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 280, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.06 Mb ( 62, 2, 32) The potential is recalculated from file : ./Li2Pd.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.6 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.5 secs Computing kpt #: 12 total cpu time spent up to now is 3.7 secs Computing kpt #: 13 total cpu time spent up to now is 3.8 secs Computing kpt #: 14 total cpu time spent up to now is 4.0 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.4 secs Computing kpt #: 17 total cpu time spent up to now is 4.5 secs Computing kpt #: 18 total cpu time spent up to now is 4.7 secs Computing kpt #: 19 total cpu time spent up to now is 4.9 secs Computing kpt #: 20 total cpu time spent up to now is 5.1 secs Computing kpt #: 21 total cpu time spent up to now is 5.3 secs Computing kpt #: 22 total cpu time spent up to now is 5.4 secs Computing kpt #: 23 total cpu time spent up to now is 5.6 secs Computing kpt #: 24 total cpu time spent up to now is 5.8 secs Computing kpt #: 25 total cpu time spent up to now is 6.0 secs Computing kpt #: 26 total cpu time spent up to now is 6.2 secs Computing kpt #: 27 total cpu time spent up to now is 6.3 secs Computing kpt #: 28 total cpu time spent up to now is 6.5 secs Computing kpt #: 29 total cpu time spent up to now is 6.7 secs Computing kpt #: 30 total cpu time spent up to now is 6.9 secs Computing kpt #: 31 total cpu time spent up to now is 7.1 secs Computing kpt #: 32 total cpu time spent up to now is 7.3 secs Computing kpt #: 33 total cpu time spent up to now is 7.5 secs Computing kpt #: 34 total cpu time spent up to now is 7.7 secs Computing kpt #: 35 total cpu time spent up to now is 7.9 secs Computing kpt #: 36 total cpu time spent up to now is 8.1 secs Computing kpt #: 37 total cpu time spent up to now is 8.3 secs Computing kpt #: 38 total cpu time spent up to now is 8.5 secs Computing kpt #: 39 total cpu time spent up to now is 8.7 secs Computing kpt #: 40 total cpu time spent up to now is 9.0 secs Computing kpt #: 41 total cpu time spent up to now is 9.2 secs Computing kpt #: 42 total cpu time spent up to now is 9.4 secs Computing kpt #: 43 total cpu time spent up to now is 9.7 secs Computing kpt #: 44 total cpu time spent up to now is 10.0 secs Computing kpt #: 45 total cpu time spent up to now is 10.3 secs Computing kpt #: 46 total cpu time spent up to now is 10.6 secs Computing kpt #: 47 total cpu time spent up to now is 10.8 secs Computing kpt #: 48 total cpu time spent up to now is 11.1 secs Computing kpt #: 49 total cpu time spent up to now is 11.3 secs Computing kpt #: 50 total cpu time spent up to now is 11.5 secs Computing kpt #: 51 total cpu time spent up to now is 11.7 secs Computing kpt #: 52 total cpu time spent up to now is 11.8 secs Computing kpt #: 53 total cpu time spent up to now is 12.0 secs Computing kpt #: 54 total cpu time spent up to now is 12.2 secs Computing kpt #: 55 total cpu time spent up to now is 12.4 secs Computing kpt #: 56 total cpu time spent up to now is 12.6 secs Computing kpt #: 57 total cpu time spent up to now is 12.8 secs Computing kpt #: 58 total cpu time spent up to now is 13.0 secs Computing kpt #: 59 total cpu time spent up to now is 13.2 secs Computing kpt #: 60 total cpu time spent up to now is 13.4 secs Computing kpt #: 61 total cpu time spent up to now is 13.6 secs Computing kpt #: 62 total cpu time spent up to now is 13.8 secs Computing kpt #: 63 total cpu time spent up to now is 13.9 secs Computing kpt #: 64 total cpu time spent up to now is 14.1 secs Computing kpt #: 65 total cpu time spent up to now is 14.3 secs Computing kpt #: 66 total cpu time spent up to now is 14.5 secs Computing kpt #: 67 total cpu time spent up to now is 14.7 secs Computing kpt #: 68 total cpu time spent up to now is 14.9 secs Computing kpt #: 69 total cpu time spent up to now is 15.1 secs Computing kpt #: 70 total cpu time spent up to now is 15.3 secs Computing kpt #: 71 total cpu time spent up to now is 15.5 secs Computing kpt #: 72 total cpu time spent up to now is 15.7 secs Computing kpt #: 73 total cpu time spent up to now is 15.9 secs Computing kpt #: 74 total cpu time spent up to now is 16.0 secs Computing kpt #: 75 total cpu time spent up to now is 16.2 secs Computing kpt #: 76 total cpu time spent up to now is 16.4 secs Computing kpt #: 77 total cpu time spent up to now is 16.6 secs Computing kpt #: 78 total cpu time spent up to now is 16.8 secs Computing kpt #: 79 total cpu time spent up to now is 16.9 secs Computing kpt #: 80 total cpu time spent up to now is 17.1 secs Computing kpt #: 81 total cpu time spent up to now is 17.3 secs Computing kpt #: 82 total cpu time spent up to now is 17.5 secs Computing kpt #: 83 total cpu time spent up to now is 17.6 secs Computing kpt #: 84 total cpu time spent up to now is 17.8 secs Computing kpt #: 85 total cpu time spent up to now is 18.0 secs Computing kpt #: 86 total cpu time spent up to now is 18.1 secs Computing kpt #: 87 total cpu time spent up to now is 18.3 secs Computing kpt #: 88 total cpu time spent up to now is 18.5 secs Computing kpt #: 89 total cpu time spent up to now is 18.7 secs Computing kpt #: 90 total cpu time spent up to now is 18.8 secs Computing kpt #: 91 total cpu time spent up to now is 19.0 secs Computing kpt #: 92 total cpu time spent up to now is 19.2 secs Computing kpt #: 93 total cpu time spent up to now is 19.4 secs Computing kpt #: 94 total cpu time spent up to now is 19.5 secs Computing kpt #: 95 total cpu time spent up to now is 19.7 secs Computing kpt #: 96 total cpu time spent up to now is 19.9 secs Computing kpt #: 97 total cpu time spent up to now is 20.1 secs Computing kpt #: 98 total cpu time spent up to now is 20.3 secs Computing kpt #: 99 total cpu time spent up to now is 20.4 secs Computing kpt #: 100 total cpu time spent up to now is 20.6 secs Computing kpt #: 101 total cpu time spent up to now is 20.8 secs Computing kpt #: 102 total cpu time spent up to now is 21.0 secs Computing kpt #: 103 total cpu time spent up to now is 21.1 secs Computing kpt #: 104 total cpu time spent up to now is 21.3 secs Computing kpt #: 105 total cpu time spent up to now is 21.5 secs Computing kpt #: 106 total cpu time spent up to now is 21.7 secs Computing kpt #: 107 total cpu time spent up to now is 21.9 secs Computing kpt #: 108 total cpu time spent up to now is 22.0 secs Computing kpt #: 109 total cpu time spent up to now is 22.2 secs Computing kpt #: 110 total cpu time spent up to now is 22.4 secs Computing kpt #: 111 total cpu time spent up to now is 22.6 secs Computing kpt #: 112 total cpu time spent up to now is 22.8 secs Computing kpt #: 113 total cpu time spent up to now is 22.9 secs Computing kpt #: 114 total cpu time spent up to now is 23.1 secs Computing kpt #: 115 total cpu time spent up to now is 23.3 secs Computing kpt #: 116 total cpu time spent up to now is 23.5 secs Computing kpt #: 117 total cpu time spent up to now is 23.6 secs Computing kpt #: 118 total cpu time spent up to now is 23.8 secs Computing kpt #: 119 total cpu time spent up to now is 24.0 secs Computing kpt #: 120 total cpu time spent up to now is 24.2 secs Computing kpt #: 121 total cpu time spent up to now is 24.4 secs Computing kpt #: 122 total cpu time spent up to now is 24.5 secs Computing kpt #: 123 total cpu time spent up to now is 24.7 secs Computing kpt #: 124 total cpu time spent up to now is 24.9 secs Computing kpt #: 125 total cpu time spent up to now is 25.1 secs Computing kpt #: 126 total cpu time spent up to now is 25.2 secs Computing kpt #: 127 total cpu time spent up to now is 25.4 secs Computing kpt #: 128 total cpu time spent up to now is 25.6 secs Computing kpt #: 129 total cpu time spent up to now is 25.8 secs Computing kpt #: 130 total cpu time spent up to now is 25.9 secs Computing kpt #: 131 total cpu time spent up to now is 26.1 secs Computing kpt #: 132 total cpu time spent up to now is 26.3 secs Computing kpt #: 133 total cpu time spent up to now is 26.4 secs Computing kpt #: 134 total cpu time spent up to now is 26.6 secs Computing kpt #: 135 total cpu time spent up to now is 26.8 secs Computing kpt #: 136 total cpu time spent up to now is 27.0 secs Computing kpt #: 137 total cpu time spent up to now is 27.1 secs Computing kpt #: 138 total cpu time spent up to now is 27.3 secs Computing kpt #: 139 total cpu time spent up to now is 27.5 secs Computing kpt #: 140 total cpu time spent up to now is 27.7 secs Computing kpt #: 141 total cpu time spent up to now is 27.9 secs Computing kpt #: 142 total cpu time spent up to now is 28.0 secs Computing kpt #: 143 total cpu time spent up to now is 28.2 secs Computing kpt #: 144 total cpu time spent up to now is 28.4 secs Computing kpt #: 145 total cpu time spent up to now is 28.6 secs Computing kpt #: 146 total cpu time spent up to now is 28.8 secs Computing kpt #: 147 total cpu time spent up to now is 29.0 secs Computing kpt #: 148 total cpu time spent up to now is 29.2 secs Computing kpt #: 149 total cpu time spent up to now is 29.5 secs Computing kpt #: 150 total cpu time spent up to now is 29.7 secs Computing kpt #: 151 total cpu time spent up to now is 29.9 secs Computing kpt #: 152 total cpu time spent up to now is 30.1 secs Computing kpt #: 153 total cpu time spent up to now is 30.3 secs Computing kpt #: 154 total cpu time spent up to now is 30.5 secs Computing kpt #: 155 total cpu time spent up to now is 30.7 secs Computing kpt #: 156 total cpu time spent up to now is 30.9 secs Computing kpt #: 157 total cpu time spent up to now is 31.1 secs Computing kpt #: 158 total cpu time spent up to now is 31.3 secs Computing kpt #: 159 total cpu time spent up to now is 31.5 secs Computing kpt #: 160 total cpu time spent up to now is 31.8 secs Computing kpt #: 161 total cpu time spent up to now is 32.0 secs Computing kpt #: 162 total cpu time spent up to now is 32.3 secs Computing kpt #: 163 total cpu time spent up to now is 32.5 secs Computing kpt #: 164 total cpu time spent up to now is 32.9 secs Computing kpt #: 165 total cpu time spent up to now is 33.2 secs Computing kpt #: 166 total cpu time spent up to now is 33.4 secs Computing kpt #: 167 total cpu time spent up to now is 33.7 secs Computing kpt #: 168 total cpu time spent up to now is 33.8 secs Computing kpt #: 169 total cpu time spent up to now is 34.0 secs Computing kpt #: 170 total cpu time spent up to now is 34.2 secs Computing kpt #: 171 total cpu time spent up to now is 34.4 secs Computing kpt #: 172 total cpu time spent up to now is 34.5 secs Computing kpt #: 173 total cpu time spent up to now is 34.7 secs Computing kpt #: 174 total cpu time spent up to now is 34.9 secs Computing kpt #: 175 total cpu time spent up to now is 35.0 secs Computing kpt #: 176 total cpu time spent up to now is 35.2 secs Computing kpt #: 177 total cpu time spent up to now is 35.4 secs Computing kpt #: 178 total cpu time spent up to now is 35.5 secs Computing kpt #: 179 total cpu time spent up to now is 35.7 secs Computing kpt #: 180 total cpu time spent up to now is 35.9 secs Computing kpt #: 181 total cpu time spent up to now is 36.0 secs Computing kpt #: 182 total cpu time spent up to now is 36.2 secs Computing kpt #: 183 total cpu time spent up to now is 36.4 secs Computing kpt #: 184 total cpu time spent up to now is 36.5 secs Computing kpt #: 185 total cpu time spent up to now is 36.7 secs Computing kpt #: 186 total cpu time spent up to now is 36.9 secs Computing kpt #: 187 total cpu time spent up to now is 37.1 secs Computing kpt #: 188 total cpu time spent up to now is 37.2 secs Computing kpt #: 189 total cpu time spent up to now is 37.4 secs Computing kpt #: 190 total cpu time spent up to now is 37.6 secs Computing kpt #: 191 total cpu time spent up to now is 37.8 secs Computing kpt #: 192 total cpu time spent up to now is 37.9 secs Computing kpt #: 193 total cpu time spent up to now is 38.1 secs Computing kpt #: 194 total cpu time spent up to now is 38.3 secs Computing kpt #: 195 total cpu time spent up to now is 38.5 secs Computing kpt #: 196 total cpu time spent up to now is 38.7 secs Computing kpt #: 197 total cpu time spent up to now is 38.9 secs Computing kpt #: 198 total cpu time spent up to now is 39.0 secs Computing kpt #: 199 total cpu time spent up to now is 39.2 secs Computing kpt #: 200 total cpu time spent up to now is 39.4 secs Computing kpt #: 201 total cpu time spent up to now is 39.6 secs Computing kpt #: 202 total cpu time spent up to now is 39.8 secs Computing kpt #: 203 total cpu time spent up to now is 40.0 secs Computing kpt #: 204 total cpu time spent up to now is 40.1 secs Computing kpt #: 205 total cpu time spent up to now is 40.3 secs Computing kpt #: 206 total cpu time spent up to now is 40.5 secs Computing kpt #: 207 total cpu time spent up to now is 40.7 secs Computing kpt #: 208 total cpu time spent up to now is 40.9 secs Computing kpt #: 209 total cpu time spent up to now is 41.1 secs Computing kpt #: 210 total cpu time spent up to now is 41.3 secs Computing kpt #: 211 total cpu time spent up to now is 41.4 secs Computing kpt #: 212 total cpu time spent up to now is 41.6 secs Computing kpt #: 213 total cpu time spent up to now is 41.8 secs Computing kpt #: 214 total cpu time spent up to now is 42.0 secs Computing kpt #: 215 total cpu time spent up to now is 42.2 secs Computing kpt #: 216 total cpu time spent up to now is 42.4 secs Computing kpt #: 217 total cpu time spent up to now is 42.6 secs Computing kpt #: 218 total cpu time spent up to now is 42.8 secs Computing kpt #: 219 total cpu time spent up to now is 43.0 secs Computing kpt #: 220 total cpu time spent up to now is 43.1 secs Computing kpt #: 221 total cpu time spent up to now is 43.3 secs Computing kpt #: 222 total cpu time spent up to now is 43.5 secs Computing kpt #: 223 total cpu time spent up to now is 43.7 secs Computing kpt #: 224 total cpu time spent up to now is 43.9 secs Computing kpt #: 225 total cpu time spent up to now is 44.1 secs Computing kpt #: 226 total cpu time spent up to now is 44.3 secs Computing kpt #: 227 total cpu time spent up to now is 44.5 secs Computing kpt #: 228 total cpu time spent up to now is 44.7 secs Computing kpt #: 229 total cpu time spent up to now is 44.9 secs Computing kpt #: 230 total cpu time spent up to now is 45.1 secs Computing kpt #: 231 total cpu time spent up to now is 45.4 secs Computing kpt #: 232 total cpu time spent up to now is 45.6 secs Computing kpt #: 233 total cpu time spent up to now is 45.8 secs Computing kpt #: 234 total cpu time spent up to now is 46.0 secs Computing kpt #: 235 total cpu time spent up to now is 46.2 secs Computing kpt #: 236 total cpu time spent up to now is 46.4 secs Computing kpt #: 237 total cpu time spent up to now is 46.6 secs Computing kpt #: 238 total cpu time spent up to now is 46.8 secs Computing kpt #: 239 total cpu time spent up to now is 47.0 secs Computing kpt #: 240 total cpu time spent up to now is 47.2 secs Computing kpt #: 241 total cpu time spent up to now is 47.4 secs Computing kpt #: 242 total cpu time spent up to now is 47.6 secs Computing kpt #: 243 total cpu time spent up to now is 47.8 secs Computing kpt #: 244 total cpu time spent up to now is 48.0 secs Computing kpt #: 245 total cpu time spent up to now is 48.2 secs Computing kpt #: 246 total cpu time spent up to now is 48.4 secs Computing kpt #: 247 total cpu time spent up to now is 48.6 secs Computing kpt #: 248 total cpu time spent up to now is 48.8 secs Computing kpt #: 249 total cpu time spent up to now is 49.1 secs Computing kpt #: 250 total cpu time spent up to now is 49.2 secs Computing kpt #: 251 total cpu time spent up to now is 49.5 secs Computing kpt #: 252 total cpu time spent up to now is 49.7 secs Computing kpt #: 253 total cpu time spent up to now is 49.9 secs Computing kpt #: 254 total cpu time spent up to now is 50.1 secs Computing kpt #: 255 total cpu time spent up to now is 50.3 secs Computing kpt #: 256 total cpu time spent up to now is 50.5 secs Computing kpt #: 257 total cpu time spent up to now is 50.7 secs Computing kpt #: 258 total cpu time spent up to now is 50.9 secs Computing kpt #: 259 total cpu time spent up to now is 51.1 secs Computing kpt #: 260 total cpu time spent up to now is 51.3 secs Computing kpt #: 261 total cpu time spent up to now is 51.5 secs Computing kpt #: 262 total cpu time spent up to now is 51.7 secs Computing kpt #: 263 total cpu time spent up to now is 51.9 secs Computing kpt #: 264 total cpu time spent up to now is 52.1 secs Computing kpt #: 265 total cpu time spent up to now is 52.3 secs Computing kpt #: 266 total cpu time spent up to now is 52.6 secs Computing kpt #: 267 total cpu time spent up to now is 52.8 secs Computing kpt #: 268 total cpu time spent up to now is 53.0 secs Computing kpt #: 269 total cpu time spent up to now is 53.2 secs Computing kpt #: 270 total cpu time spent up to now is 53.4 secs Computing kpt #: 271 total cpu time spent up to now is 53.6 secs Computing kpt #: 272 total cpu time spent up to now is 53.9 secs Computing kpt #: 273 total cpu time spent up to now is 54.1 secs Computing kpt #: 274 total cpu time spent up to now is 54.3 secs Computing kpt #: 275 total cpu time spent up to now is 54.5 secs Computing kpt #: 276 total cpu time spent up to now is 54.7 secs Computing kpt #: 277 total cpu time spent up to now is 55.0 secs Computing kpt #: 278 total cpu time spent up to now is 55.2 secs Computing kpt #: 279 total cpu time spent up to now is 55.4 secs Computing kpt #: 280 total cpu time spent up to now is 55.6 secs Computing kpt #: 281 total cpu time spent up to now is 55.7 secs Computing kpt #: 282 total cpu time spent up to now is 55.9 secs Computing kpt #: 283 total cpu time spent up to now is 56.1 secs Computing kpt #: 284 total cpu time spent up to now is 56.3 secs Computing kpt #: 285 total cpu time spent up to now is 56.5 secs Computing kpt #: 286 total cpu time spent up to now is 56.7 secs Computing kpt #: 287 total cpu time spent up to now is 56.9 secs Computing kpt #: 288 total cpu time spent up to now is 57.0 secs Computing kpt #: 289 total cpu time spent up to now is 57.2 secs Computing kpt #: 290 total cpu time spent up to now is 57.4 secs Computing kpt #: 291 total cpu time spent up to now is 57.6 secs Computing kpt #: 292 total cpu time spent up to now is 57.8 secs Computing kpt #: 293 total cpu time spent up to now is 57.9 secs Computing kpt #: 294 total cpu time spent up to now is 58.1 secs Computing kpt #: 295 total cpu time spent up to now is 58.3 secs Computing kpt #: 296 total cpu time spent up to now is 58.5 secs Computing kpt #: 297 total cpu time spent up to now is 58.6 secs Computing kpt #: 298 total cpu time spent up to now is 58.8 secs Computing kpt #: 299 total cpu time spent up to now is 59.0 secs Computing kpt #: 300 total cpu time spent up to now is 59.1 secs Computing kpt #: 301 total cpu time spent up to now is 59.3 secs Computing kpt #: 302 total cpu time spent up to now is 59.5 secs Computing kpt #: 303 total cpu time spent up to now is 59.7 secs Computing kpt #: 304 total cpu time spent up to now is 59.9 secs Computing kpt #: 305 total cpu time spent up to now is 60.1 secs Computing kpt #: 306 total cpu time spent up to now is 60.3 secs Computing kpt #: 307 total cpu time spent up to now is 60.5 secs Computing kpt #: 308 total cpu time spent up to now is 60.7 secs Computing kpt #: 309 total cpu time spent up to now is 60.8 secs Computing kpt #: 310 total cpu time spent up to now is 61.0 secs Computing kpt #: 311 total cpu time spent up to now is 61.2 secs Computing kpt #: 312 total cpu time spent up to now is 61.4 secs Computing kpt #: 313 total cpu time spent up to now is 61.6 secs Computing kpt #: 314 total cpu time spent up to now is 61.8 secs Computing kpt #: 315 total cpu time spent up to now is 62.0 secs Computing kpt #: 316 total cpu time spent up to now is 62.1 secs Computing kpt #: 317 total cpu time spent up to now is 62.3 secs Computing kpt #: 318 total cpu time spent up to now is 62.5 secs Computing kpt #: 319 total cpu time spent up to now is 62.7 secs Computing kpt #: 320 total cpu time spent up to now is 62.9 secs Computing kpt #: 321 total cpu time spent up to now is 63.1 secs Computing kpt #: 322 total cpu time spent up to now is 63.3 secs Computing kpt #: 323 total cpu time spent up to now is 63.5 secs Computing kpt #: 324 total cpu time spent up to now is 63.7 secs Computing kpt #: 325 total cpu time spent up to now is 63.9 secs Computing kpt #: 326 total cpu time spent up to now is 64.1 secs Computing kpt #: 327 total cpu time spent up to now is 64.3 secs Computing kpt #: 328 total cpu time spent up to now is 64.5 secs Computing kpt #: 329 total cpu time spent up to now is 64.7 secs Computing kpt #: 330 total cpu time spent up to now is 64.9 secs Computing kpt #: 331 total cpu time spent up to now is 65.1 secs Computing kpt #: 332 total cpu time spent up to now is 65.3 secs Computing kpt #: 333 total cpu time spent up to now is 65.5 secs Computing kpt #: 334 total cpu time spent up to now is 65.7 secs Computing kpt #: 335 total cpu time spent up to now is 65.9 secs Computing kpt #: 336 total cpu time spent up to now is 66.1 secs Computing kpt #: 337 total cpu time spent up to now is 66.3 secs Computing kpt #: 338 total cpu time spent up to now is 66.5 secs Computing kpt #: 339 total cpu time spent up to now is 66.7 secs Computing kpt #: 340 total cpu time spent up to now is 66.9 secs Computing kpt #: 341 total cpu time spent up to now is 67.1 secs Computing kpt #: 342 total cpu time spent up to now is 67.2 secs Computing kpt #: 343 total cpu time spent up to now is 67.4 secs Computing kpt #: 344 total cpu time spent up to now is 67.6 secs Computing kpt #: 345 total cpu time spent up to now is 67.8 secs Computing kpt #: 346 total cpu time spent up to now is 68.0 secs Computing kpt #: 347 total cpu time spent up to now is 68.2 secs Computing kpt #: 348 total cpu time spent up to now is 68.5 secs Computing kpt #: 349 total cpu time spent up to now is 68.7 secs Computing kpt #: 350 total cpu time spent up to now is 68.9 secs Computing kpt #: 351 total cpu time spent up to now is 69.2 secs Computing kpt #: 352 total cpu time spent up to now is 69.4 secs Computing kpt #: 353 total cpu time spent up to now is 69.7 secs Computing kpt #: 354 total cpu time spent up to now is 70.0 secs Computing kpt #: 355 total cpu time spent up to now is 70.2 secs Computing kpt #: 356 total cpu time spent up to now is 70.5 secs Computing kpt #: 357 total cpu time spent up to now is 70.9 secs Computing kpt #: 358 total cpu time spent up to now is 71.2 secs Computing kpt #: 359 total cpu time spent up to now is 71.5 secs Computing kpt #: 360 total cpu time spent up to now is 71.8 secs Computing kpt #: 361 total cpu time spent up to now is 72.0 secs Computing kpt #: 362 total cpu time spent up to now is 72.2 secs Computing kpt #: 363 total cpu time spent up to now is 72.3 secs Computing kpt #: 364 total cpu time spent up to now is 72.5 secs Computing kpt #: 365 total cpu time spent up to now is 72.7 secs Computing kpt #: 366 total cpu time spent up to now is 72.9 secs Computing kpt #: 367 total cpu time spent up to now is 73.1 secs Computing kpt #: 368 total cpu time spent up to now is 73.3 secs Computing kpt #: 369 total cpu time spent up to now is 73.6 secs Computing kpt #: 370 total cpu time spent up to now is 73.8 secs Computing kpt #: 371 total cpu time spent up to now is 74.0 secs Computing kpt #: 372 total cpu time spent up to now is 74.2 secs Computing kpt #: 373 total cpu time spent up to now is 74.4 secs Computing kpt #: 374 total cpu time spent up to now is 74.6 secs Computing kpt #: 375 total cpu time spent up to now is 74.8 secs Computing kpt #: 376 total cpu time spent up to now is 75.0 secs Computing kpt #: 377 total cpu time spent up to now is 75.2 secs Computing kpt #: 378 total cpu time spent up to now is 75.4 secs Computing kpt #: 379 total cpu time spent up to now is 75.6 secs Computing kpt #: 380 total cpu time spent up to now is 75.8 secs Computing kpt #: 381 total cpu time spent up to now is 76.0 secs Computing kpt #: 382 total cpu time spent up to now is 76.2 secs Computing kpt #: 383 total cpu time spent up to now is 76.5 secs Computing kpt #: 384 total cpu time spent up to now is 76.7 secs Computing kpt #: 385 total cpu time spent up to now is 76.9 secs Computing kpt #: 386 total cpu time spent up to now is 77.1 secs Computing kpt #: 387 total cpu time spent up to now is 77.3 secs Computing kpt #: 388 total cpu time spent up to now is 77.5 secs Computing kpt #: 389 total cpu time spent up to now is 77.8 secs Computing kpt #: 390 total cpu time spent up to now is 78.0 secs Computing kpt #: 391 total cpu time spent up to now is 78.2 secs Computing kpt #: 392 total cpu time spent up to now is 78.4 secs Computing kpt #: 393 total cpu time spent up to now is 78.6 secs Computing kpt #: 394 total cpu time spent up to now is 78.8 secs Computing kpt #: 395 total cpu time spent up to now is 79.0 secs Computing kpt #: 396 total cpu time spent up to now is 79.2 secs Computing kpt #: 397 total cpu time spent up to now is 79.5 secs Computing kpt #: 398 total cpu time spent up to now is 79.7 secs Computing kpt #: 399 total cpu time spent up to now is 79.9 secs Computing kpt #: 400 total cpu time spent up to now is 80.1 secs Computing kpt #: 401 total cpu time spent up to now is 80.3 secs Computing kpt #: 402 total cpu time spent up to now is 80.5 secs Computing kpt #: 403 total cpu time spent up to now is 80.7 secs Computing kpt #: 404 total cpu time spent up to now is 80.9 secs Computing kpt #: 405 total cpu time spent up to now is 81.1 secs Computing kpt #: 406 total cpu time spent up to now is 81.4 secs Computing kpt #: 407 total cpu time spent up to now is 81.6 secs Computing kpt #: 408 total cpu time spent up to now is 81.8 secs Computing kpt #: 409 total cpu time spent up to now is 82.0 secs Computing kpt #: 410 total cpu time spent up to now is 82.2 secs Computing kpt #: 411 total cpu time spent up to now is 82.4 secs Computing kpt #: 412 total cpu time spent up to now is 82.6 secs Computing kpt #: 413 total cpu time spent up to now is 82.8 secs Computing kpt #: 414 total cpu time spent up to now is 83.0 secs Computing kpt #: 415 total cpu time spent up to now is 83.2 secs Computing kpt #: 416 total cpu time spent up to now is 83.4 secs Computing kpt #: 417 total cpu time spent up to now is 83.6 secs Computing kpt #: 418 total cpu time spent up to now is 83.8 secs Computing kpt #: 419 total cpu time spent up to now is 84.0 secs ethr = 4.17E-08, avg # of iterations = 14.3 total cpu time spent up to now is 84.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5003 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9550 -39.9550 -39.9181 -39.9181 -37.5317 -37.5317 -37.4356 -37.4356 3.1740 3.1740 4.6478 4.6478 5.2492 5.2492 5.5561 5.5561 7.0986 7.0986 7.3023 7.3023 12.3859 12.3859 12.6277 12.6277 13.7770 13.7770 13.9173 13.9173 k = 0.0116 0.0067-0.0000 ( 5003 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9550 -39.9550 -39.9181 -39.9181 -37.5317 -37.5317 -37.4357 -37.4357 3.1750 3.1750 4.6480 4.6480 5.2495 5.2495 5.5565 5.5565 7.0985 7.0985 7.3022 7.3022 12.3689 12.3689 12.6093 12.6093 13.7931 13.7931 13.9346 13.9346 k = 0.0233 0.0134-0.0000 ( 5019 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9550 -39.9550 -39.9181 -39.9181 -37.5316 -37.5316 -37.4358 -37.4358 3.1781 3.1781 4.6489 4.6489 5.2505 5.2505 5.5575 5.5575 7.0983 7.0983 7.3020 7.3020 12.3197 12.3197 12.5570 12.5570 13.8390 13.8390 13.9837 13.9837 k = 0.0349 0.0201-0.0000 ( 5015 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9550 -39.9550 -39.9181 -39.9181 -37.5315 -37.5315 -37.4359 -37.4359 3.1831 3.1831 4.6502 4.6502 5.2521 5.2521 5.5593 5.5593 7.0980 7.0980 7.3016 7.3016 12.2433 12.2433 12.4782 12.4782 13.9089 13.9089 14.0582 14.0582 k = 0.0465 0.0269-0.0000 ( 5009 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9550 -39.9550 -39.9181 -39.9181 -37.5312 -37.5312 -37.4361 -37.4361 3.1901 3.1901 4.6522 4.6522 5.2543 5.2543 5.5618 5.5618 7.0975 7.0975 7.3012 7.3012 12.1454 12.1454 12.3811 12.3811 13.9958 13.9958 14.1512 14.1512 k = 0.0581 0.0336-0.0000 ( 5013 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9551 -39.9551 -39.9181 -39.9181 -37.5309 -37.5309 -37.4364 -37.4364 3.1991 3.1991 4.6547 4.6547 5.2570 5.2570 5.5651 5.5651 7.0969 7.0969 7.3005 7.3005 12.0308 12.0308 12.2722 12.2722 14.0931 14.0931 14.2577 14.2577 k = 0.0698 0.0403-0.0000 ( 5025 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9551 -39.9551 -39.9181 -39.9181 -37.5306 -37.5306 -37.4367 -37.4367 3.2101 3.2101 4.6578 4.6578 5.2603 5.2603 5.5692 5.5692 7.0961 7.0961 7.2998 7.2998 11.9033 11.9033 12.1565 12.1565 14.1950 14.1950 14.3747 14.3747 k = 0.0814 0.0470-0.0000 ( 5019 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9551 -39.9551 -39.9181 -39.9181 -37.5302 -37.5302 -37.4370 -37.4370 3.2229 3.2229 4.6615 4.6615 5.2641 5.2641 5.5743 5.5743 7.0952 7.0952 7.2989 7.2989 11.7659 11.7659 12.0371 12.0371 14.2968 14.2968 14.5006 14.5006 k = 0.0930 0.0537-0.0000 ( 5017 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9551 -39.9551 -39.9181 -39.9181 -37.5298 -37.5298 -37.4375 -37.4375 3.2376 3.2376 4.6659 4.6659 5.2682 5.2682 5.5803 5.5803 7.0942 7.0942 7.2979 7.2979 11.6209 11.6209 11.9161 11.9161 14.3953 14.3953 14.6345 14.6345 k = 0.1047 0.0604-0.0000 ( 5015 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9552 -39.9552 -39.9181 -39.9181 -37.5292 -37.5292 -37.4379 -37.4379 3.2540 3.2540 4.6709 4.6709 5.2728 5.2728 5.5874 5.5874 7.0931 7.0931 7.2968 7.2968 11.4701 11.4701 11.7948 11.7948 14.4882 14.4882 14.7756 14.7756 k = 0.1163 0.0671-0.0000 ( 5019 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9552 -39.9552 -39.9182 -39.9182 -37.5287 -37.5287 -37.4385 -37.4385 3.2722 3.2722 4.6765 4.6765 5.2776 5.2776 5.5956 5.5956 7.0918 7.0918 7.2956 7.2956 11.3149 11.3149 11.6738 11.6738 14.5747 14.5747 14.9227 14.9227 k = 0.1279 0.0738-0.0000 ( 5027 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9553 -39.9553 -39.9182 -39.9182 -37.5281 -37.5281 -37.4390 -37.4390 3.2920 3.2920 4.6829 4.6829 5.2828 5.2828 5.6050 5.6050 7.0905 7.0905 7.2944 7.2944 11.1567 11.1567 11.5536 11.5536 14.6543 14.6543 15.0752 15.0752 k = 0.1395 0.0806-0.0000 ( 5027 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9553 -39.9553 -39.9182 -39.9182 -37.5274 -37.5274 -37.4397 -37.4397 3.3133 3.3133 4.6900 4.6900 5.2881 5.2881 5.6157 5.6157 7.0890 7.0890 7.2930 7.2930 10.9962 10.9962 11.4346 11.4346 14.7268 14.7268 15.2321 15.2321 k = 0.1512 0.0873-0.0000 ( 5023 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9554 -39.9554 -39.9182 -39.9182 -37.5266 -37.5266 -37.4403 -37.4403 3.3360 3.3360 4.6979 4.6979 5.2938 5.2938 5.6276 5.6276 7.0874 7.0874 7.2916 7.2916 10.8342 10.8342 11.3170 11.3170 14.7924 14.7924 15.3930 15.3930 k = 0.1628 0.0940-0.0000 ( 5027 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9554 -39.9554 -39.9182 -39.9182 -37.5259 -37.5259 -37.4411 -37.4411 3.3601 3.3601 4.7066 4.7066 5.2997 5.2997 5.6409 5.6409 7.0858 7.0858 7.2901 7.2901 10.6713 10.6713 11.2010 11.2010 14.8515 14.8515 15.5574 15.5574 k = 0.1744 0.1007-0.0000 ( 5026 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9555 -39.9555 -39.9182 -39.9182 -37.5250 -37.5250 -37.4419 -37.4419 3.3854 3.3854 4.7162 4.7162 5.3058 5.3058 5.6556 5.6556 7.0840 7.0840 7.2886 7.2886 10.5081 10.5081 11.0867 11.0867 14.9044 14.9044 15.7250 15.7250 k = 0.1860 0.1074-0.0000 ( 5034 PWs) bands (ev): -75.6285 -75.6285 -44.4147 -44.4147 -39.9556 -39.9556 -39.9183 -39.9183 -37.5242 -37.5242 -37.4427 -37.4427 3.4117 3.4117 4.7265 4.7265 5.3124 5.3124 5.6716 5.6716 7.0822 7.0822 7.2870 7.2870 10.3449 10.3449 10.9743 10.9743 14.9516 14.9516 15.8955 15.8955 k = 0.1977 0.1141-0.0000 ( 5044 PWs) bands (ev): -75.6285 -75.6285 -44.4147 -44.4147 -39.9556 -39.9556 -39.9183 -39.9183 -37.5232 -37.5232 -37.4435 -37.4435 3.4389 3.4389 4.7378 4.7378 5.3194 5.3194 5.6889 5.6889 7.0803 7.0803 7.2854 7.2854 10.1820 10.1820 10.8639 10.8639 14.9935 14.9935 16.0686 16.0686 k = 0.2093 0.1208-0.0000 ( 5046 PWs) bands (ev): -75.6285 -75.6285 -44.4147 -44.4147 -39.9557 -39.9557 -39.9183 -39.9183 -37.5223 -37.5223 -37.4444 -37.4444 3.4669 3.4669 4.7500 4.7500 5.3271 5.3271 5.7075 5.7075 7.0783 7.0783 7.2838 7.2838 10.0197 10.0197 10.7556 10.7556 15.0306 15.0306 16.2443 16.2443 k = 0.2209 0.1276-0.0000 ( 5050 PWs) bands (ev): -75.6285 -75.6285 -44.4147 -44.4147 -39.9558 -39.9558 -39.9183 -39.9183 -37.5213 -37.5213 -37.4454 -37.4454 3.4954 3.4954 4.7630 4.7630 5.3355 5.3355 5.7274 5.7274 7.0763 7.0763 7.2822 7.2822 9.8584 9.8584 10.6495 10.6495 15.0634 15.0634 16.4224 16.4224 k = 0.2326 0.1343-0.0000 ( 5050 PWs) bands (ev): -75.6285 -75.6285 -44.4147 -44.4147 -39.9558 -39.9558 -39.9183 -39.9183 -37.5202 -37.5202 -37.4463 -37.4463 3.5242 3.5242 4.7768 4.7768 5.3449 5.3449 5.7484 5.7484 7.0742 7.0742 7.2805 7.2805 9.6981 9.6981 10.5458 10.5458 15.0924 15.0924 16.6028 16.6028 k = 0.2442 0.1410-0.0000 ( 5058 PWs) bands (ev): -75.6285 -75.6285 -44.4148 -44.4148 -39.9559 -39.9559 -39.9184 -39.9184 -37.5192 -37.5192 -37.4473 -37.4473 3.5533 3.5533 4.7915 4.7915 5.3556 5.3556 5.7705 5.7705 7.0721 7.0721 7.2789 7.2789 9.5390 9.5390 10.4446 10.4446 15.1180 15.1180 16.7854 16.7854 k = 0.2558 0.1477-0.0000 ( 5058 PWs) bands (ev): -75.6285 -75.6285 -44.4148 -44.4148 -39.9560 -39.9560 -39.9184 -39.9184 -37.5181 -37.5181 -37.4484 -37.4484 3.5823 3.5823 4.8068 4.8068 5.3679 5.3679 5.7936 5.7936 7.0699 7.0699 7.2774 7.2774 9.3815 9.3815 10.3460 10.3460 15.1406 15.1406 16.9701 16.9701 k = 0.2674 0.1544-0.0000 ( 5058 PWs) bands (ev): -75.6285 -75.6285 -44.4148 -44.4148 -39.9561 -39.9561 -39.9184 -39.9184 -37.5169 -37.5169 -37.4494 -37.4494 3.6110 3.6110 4.8227 4.8227 5.3820 5.3820 5.8175 5.8175 7.0678 7.0678 7.2758 7.2758 9.2255 9.2255 10.2500 10.2500 15.1606 15.1606 17.1569 17.1569 k = 0.2791 0.1611-0.0000 ( 5050 PWs) bands (ev): -75.6285 -75.6285 -44.4148 -44.4148 -39.9561 -39.9561 -39.9184 -39.9184 -37.5158 -37.5158 -37.4505 -37.4505 3.6393 3.6393 4.8390 4.8390 5.3984 5.3984 5.8422 5.8422 7.0656 7.0656 7.2744 7.2744 9.0712 9.0712 10.1569 10.1569 15.1781 15.1781 17.3457 17.3457 k = 0.2907 0.1678-0.0000 ( 5042 PWs) bands (ev): -75.6285 -75.6285 -44.4148 -44.4148 -39.9562 -39.9562 -39.9184 -39.9184 -37.5146 -37.5146 -37.4516 -37.4516 3.6670 3.6670 4.8555 4.8555 5.4175 5.4175 5.8676 5.8676 7.0634 7.0634 7.2729 7.2729 8.9188 8.9188 10.0669 10.0669 15.1937 15.1937 17.5363 17.5363 k = 0.3023 0.1745-0.0000 ( 5042 PWs) bands (ev): -75.6285 -75.6285 -44.4148 -44.4148 -39.9563 -39.9563 -39.9185 -39.9185 -37.5134 -37.5134 -37.4528 -37.4528 3.6938 3.6938 4.8718 4.8718 5.4397 5.4397 5.8934 5.8934 7.0613 7.0613 7.2715 7.2715 8.7683 8.7683 9.9799 9.9799 15.2074 15.2074 17.7289 17.7289 k = 0.3140 0.1813-0.0000 ( 5038 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9563 -39.9563 -39.9185 -39.9185 -37.5122 -37.5122 -37.4539 -37.4539 3.7196 3.7196 4.8879 4.8879 5.4654 5.4654 5.9196 5.9196 7.0591 7.0591 7.2702 7.2702 8.6200 8.6200 9.8963 9.8963 15.2195 15.2195 17.9232 17.9232 k = 0.3256 0.1880-0.0000 ( 5034 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9564 -39.9564 -39.9185 -39.9185 -37.5109 -37.5109 -37.4551 -37.4551 3.7442 3.7442 4.9033 4.9033 5.4949 5.4949 5.9460 5.9460 7.0569 7.0569 7.2689 7.2689 8.4739 8.4739 9.8161 9.8161 15.2303 15.2303 18.1192 18.1192 k = 0.3372 0.1947-0.0000 ( 5034 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9565 -39.9565 -39.9185 -39.9185 -37.5097 -37.5097 -37.4562 -37.4562 3.7675 3.7675 4.9179 4.9179 5.5287 5.5287 5.9725 5.9725 7.0548 7.0548 7.2677 7.2677 8.3301 8.3301 9.7396 9.7396 15.2397 15.2397 18.3168 18.3168 k = 0.3488 0.2014-0.0000 ( 5032 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9565 -39.9565 -39.9185 -39.9185 -37.5085 -37.5085 -37.4574 -37.4574 3.7894 3.7894 4.9315 4.9315 5.5669 5.5669 5.9990 5.9990 7.0526 7.0526 7.2665 7.2665 8.1888 8.1888 9.6669 9.6669 15.2481 15.2481 18.5158 18.5158 k = 0.3605 0.2081-0.0000 ( 5036 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9566 -39.9566 -39.9186 -39.9186 -37.5073 -37.5073 -37.4586 -37.4586 3.8097 3.8097 4.9439 4.9439 5.6097 5.6097 6.0253 6.0253 7.0504 7.0504 7.2654 7.2654 8.0502 8.0502 9.5983 9.5983 15.2555 15.2555 18.7161 18.7161 k = 0.3721 0.2148-0.0000 ( 5040 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9566 -39.9566 -39.9186 -39.9186 -37.5061 -37.5061 -37.4597 -37.4597 3.8285 3.8285 4.9550 4.9550 5.6569 5.6569 6.0514 6.0514 7.0481 7.0481 7.2642 7.2642 7.9144 7.9144 9.5339 9.5339 15.2620 15.2620 18.9175 18.9175 k = 0.3837 0.2215-0.0000 ( 5042 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9567 -39.9567 -39.9186 -39.9186 -37.5049 -37.5049 -37.4608 -37.4608 3.8456 3.8456 4.9648 4.9648 5.7083 5.7083 6.0774 6.0774 7.0457 7.0457 7.2629 7.2629 7.7817 7.7817 9.4741 9.4741 15.2677 15.2677 19.1197 19.1197 k = 0.3953 0.2283-0.0000 ( 5038 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9567 -39.9567 -39.9186 -39.9186 -37.5038 -37.5038 -37.4619 -37.4619 3.8610 3.8610 4.9734 4.9734 5.7635 5.7635 6.1035 6.1035 7.0429 7.0429 7.2614 7.2614 7.6526 7.6526 9.4189 9.4189 15.2726 15.2726 19.3222 19.3222 k = 0.4070 0.2350-0.0000 ( 5042 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9568 -39.9568 -39.9186 -39.9186 -37.5027 -37.5027 -37.4629 -37.4629 3.8748 3.8748 4.9807 4.9807 5.8216 5.8216 6.1301 6.1301 7.0395 7.0395 7.2591 7.2591 7.5280 7.5280 9.3688 9.3688 15.2769 15.2769 19.5245 19.5245 k = 0.4186 0.2417-0.0000 ( 5042 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9568 -39.9568 -39.9186 -39.9186 -37.5017 -37.5017 -37.4639 -37.4639 3.8868 3.8868 4.9869 4.9869 5.8812 5.8812 6.1582 6.1582 7.0347 7.0347 7.2543 7.2543 7.4106 7.4106 9.3238 9.3238 15.2806 15.2806 19.7258 19.7258 k = 0.4302 0.2484-0.0000 ( 5036 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9568 -39.9568 -39.9186 -39.9186 -37.5008 -37.5008 -37.4648 -37.4648 3.8972 3.8972 4.9920 4.9920 5.9398 5.9398 6.1899 6.1899 7.0264 7.0264 7.2355 7.2355 7.3141 7.3141 9.2843 9.2843 15.2838 15.2838 19.9247 19.9247 k = 0.4419 0.2551-0.0000 ( 5044 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9186 -39.9186 -37.4999 -37.4999 -37.4656 -37.4656 3.9060 3.9060 4.9962 4.9962 5.9937 5.9937 6.2283 6.2283 7.0081 7.0081 7.1698 7.1698 7.2782 7.2782 9.2504 9.2504 15.2864 15.2864 20.1190 20.1190 k = 0.4535 0.2618-0.0000 ( 5036 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9186 -39.9186 -37.4992 -37.4992 -37.4663 -37.4663 3.9131 3.9131 4.9995 4.9995 6.0387 6.0387 6.2773 6.2773 6.9616 6.9616 7.1073 7.1073 7.2711 7.2711 9.2224 9.2224 15.2885 15.2885 20.3052 20.3052 k = 0.4651 0.2685-0.0000 ( 5040 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9186 -39.9186 -37.4986 -37.4986 -37.4669 -37.4669 3.9187 3.9187 5.0020 5.0020 6.0718 6.0718 6.3389 6.3389 6.8800 6.8800 7.0796 7.0796 7.2687 7.2687 9.2004 9.2004 15.2901 15.2901 20.4771 20.4771 k = 0.4767 0.2752-0.0000 ( 5048 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9186 -39.9186 -37.4982 -37.4982 -37.4673 -37.4673 3.9226 3.9226 5.0037 5.0037 6.0935 6.0935 6.4121 6.4121 6.7847 6.7847 7.0692 7.0692 7.2676 7.2676 9.1845 9.1845 15.2912 15.2912 20.6236 20.6236 k = 0.4884 0.2820-0.0000 ( 5052 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9186 -39.9186 -37.4979 -37.4979 -37.4676 -37.4676 3.9249 3.9249 5.0047 5.0047 6.1055 6.1055 6.4931 6.4931 6.6893 6.6893 7.0650 7.0650 7.2671 7.2671 9.1750 9.1750 15.2919 15.2919 20.7269 20.7269 k = 0.5000 0.2887-0.0000 ( 5050 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9187 -39.9187 -37.4978 -37.4978 -37.4677 -37.4677 3.9257 3.9257 5.0051 5.0051 6.1093 6.1093 6.5573 6.5573 6.6202 6.6202 7.0638 7.0638 7.2669 7.2669 9.1718 9.1718 15.2921 15.2921 20.7650 20.7650 k = 0.5000 0.2887-0.0000 ( 5050 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9187 -39.9187 -37.4978 -37.4978 -37.4677 -37.4677 3.9257 3.9257 5.0051 5.0051 6.1093 6.1093 6.5573 6.5573 6.6202 6.6202 7.0638 7.0638 7.2669 7.2669 9.1718 9.1718 15.2921 15.2921 20.7650 20.7650 k = 0.4933 0.3002-0.0000 ( 5054 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9187 -39.9187 -37.4978 -37.4978 -37.4677 -37.4677 3.9262 3.9262 5.0060 5.0060 6.1068 6.1068 6.5538 6.5538 6.6262 6.6262 7.0638 7.0638 7.2669 7.2669 9.1683 9.1683 15.2973 15.2973 20.7386 20.7386 k = 0.4867 0.3118-0.0000 ( 5050 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9187 -39.9187 -37.4977 -37.4977 -37.4678 -37.4678 3.9277 3.9277 5.0089 5.0089 6.0993 6.0993 6.5454 6.5454 6.6419 6.6419 7.0637 7.0637 7.2667 7.2667 9.1579 9.1579 15.3129 15.3129 20.6664 20.6664 k = 0.4800 0.3233-0.0000 ( 5046 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9187 -39.9187 -37.4976 -37.4976 -37.4679 -37.4679 3.9302 3.9302 5.0137 5.0137 6.0874 6.0874 6.5350 6.5350 6.6640 6.6640 7.0635 7.0635 7.2665 7.2665 9.1407 9.1407 15.3388 15.3388 20.5633 20.5633 k = 0.4733 0.3349-0.0000 ( 5048 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9187 -39.9187 -37.4974 -37.4974 -37.4681 -37.4681 3.9336 3.9336 5.0204 5.0204 6.0718 6.0718 6.5234 6.5234 6.6908 6.6908 7.0632 7.0632 7.2663 7.2663 9.1169 9.1169 15.3747 15.3747 20.4423 20.4423 k = 0.4667 0.3464-0.0000 ( 5044 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9187 -39.9187 -37.4972 -37.4972 -37.4683 -37.4683 3.9379 3.9379 5.0291 5.0291 6.0533 6.0533 6.5108 6.5108 6.7215 6.7215 7.0629 7.0629 7.2660 7.2660 9.0867 9.0867 15.4203 15.4203 20.3119 20.3119 k = 0.4600 0.3580-0.0000 ( 5044 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9187 -39.9187 -37.4969 -37.4969 -37.4686 -37.4686 3.9431 3.9431 5.0398 5.0398 6.0326 6.0326 6.4971 6.4971 6.7554 6.7554 7.0626 7.0626 7.2657 7.2657 9.0505 9.0505 15.4752 15.4752 20.1774 20.1774 k = 0.4533 0.3695-0.0000 ( 5052 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9187 -39.9187 -37.4965 -37.4965 -37.4689 -37.4689 3.9489 3.9489 5.0526 5.0526 6.0104 6.0104 6.4820 6.4820 6.7922 6.7922 7.0622 7.0622 7.2653 7.2653 9.0086 9.0086 15.5389 15.5389 20.0419 20.0419 k = 0.4467 0.3811-0.0000 ( 5053 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9570 -39.9570 -39.9187 -39.9187 -37.4962 -37.4962 -37.4693 -37.4693 3.9553 3.9553 5.0675 5.0675 5.9871 5.9871 6.4656 6.4656 6.8314 6.8314 7.0617 7.0617 7.2651 7.2651 8.9615 8.9615 15.6110 15.6110 19.9073 19.9073 k = 0.4400 0.3926-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9570 -39.9570 -39.9187 -39.9187 -37.4957 -37.4957 -37.4697 -37.4697 3.9623 3.9623 5.0845 5.0845 5.9633 5.9633 6.4476 6.4476 6.8727 6.8727 7.0612 7.0612 7.2650 7.2650 8.9096 8.9096 15.6909 15.6909 19.7750 19.7750 k = 0.4333 0.4041-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9570 -39.9570 -39.9187 -39.9187 -37.4952 -37.4952 -37.4702 -37.4702 3.9697 3.9697 5.1037 5.1037 5.9392 5.9392 6.4280 6.4280 6.9158 6.9158 7.0608 7.0608 7.2651 7.2651 8.8532 8.8532 15.7778 15.7778 19.6460 19.6460 k = 0.4267 0.4157-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9570 -39.9570 -39.9187 -39.9187 -37.4947 -37.4947 -37.4707 -37.4707 3.9773 3.9773 5.1251 5.1251 5.9151 5.9151 6.4070 6.4070 6.9603 6.9603 7.0603 7.0603 7.2657 7.2657 8.7930 8.7930 15.8710 15.8710 19.5212 19.5212 k = 0.4200 0.4272-0.0000 ( 5053 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9570 -39.9570 -39.9187 -39.9187 -37.4941 -37.4941 -37.4713 -37.4713 3.9851 3.9851 5.1487 5.1487 5.8914 5.8914 6.3844 6.3844 7.0059 7.0059 7.0598 7.0598 7.2669 7.2669 8.7293 8.7293 15.9698 15.9698 19.4012 19.4012 k = 0.4133 0.4388-0.0000 ( 5053 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9570 -39.9570 -39.9187 -39.9187 -37.4935 -37.4935 -37.4719 -37.4719 3.9929 3.9929 5.1744 5.1744 5.8681 5.8681 6.3603 6.3603 7.0514 7.0514 7.0598 7.0598 7.2693 7.2693 8.6626 8.6626 16.0733 16.0733 19.2869 19.2869 k = 0.4067 0.4503-0.0000 ( 5053 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9570 -39.9570 -39.9187 -39.9187 -37.4928 -37.4928 -37.4726 -37.4726 4.0007 4.0007 5.2022 5.2022 5.8455 5.8455 6.3349 6.3349 7.0586 7.0586 7.0976 7.0976 7.2739 7.2739 8.5933 8.5933 16.1803 16.1803 19.1790 19.1790 k = 0.4000 0.4619-0.0000 ( 5053 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9570 -39.9570 -39.9187 -39.9187 -37.4921 -37.4921 -37.4733 -37.4733 4.0082 4.0082 5.2319 5.2319 5.8239 5.8239 6.3083 6.3083 7.0582 7.0582 7.1402 7.1402 7.2828 7.2828 8.5219 8.5219 16.2896 16.2896 19.0786 19.0786 k = 0.3933 0.4734-0.0000 ( 5053 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9571 -39.9571 -39.9187 -39.9187 -37.4913 -37.4913 -37.4741 -37.4741 4.0153 4.0153 5.2633 5.2633 5.8035 5.8035 6.2805 6.2805 7.0577 7.0577 7.1759 7.1759 7.3000 7.3000 8.4489 8.4489 16.3998 16.3998 18.9868 18.9868 k = 0.3867 0.4850-0.0000 ( 5053 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4905 -37.4905 -37.4749 -37.4749 4.0220 4.0220 5.2960 5.2960 5.7845 5.7845 6.2519 6.2519 7.0573 7.0573 7.2005 7.2005 7.3300 7.3300 8.3746 8.3746 16.5091 16.5091 18.9052 18.9052 k = 0.3800 0.4965-0.0000 ( 5049 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4896 -37.4896 -37.4757 -37.4757 4.0282 4.0282 5.3293 5.3293 5.7675 5.7675 6.2226 6.2226 7.0569 7.0569 7.2143 7.2143 7.3721 7.3721 8.2995 8.2995 16.6152 16.6152 18.8356 18.8356 k = 0.3733 0.5081-0.0000 ( 5051 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4887 -37.4887 -37.4766 -37.4766 4.0338 4.0338 5.3625 5.3625 5.7528 5.7528 6.1931 6.1931 7.0566 7.0566 7.2214 7.2214 7.4222 7.4222 8.2240 8.2240 16.7154 16.7154 18.7805 18.7805 k = 0.3667 0.5196-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4878 -37.4878 -37.4775 -37.4775 4.0387 4.0387 5.3944 5.3944 5.7413 5.7413 6.1638 6.1638 7.0563 7.0563 7.2253 7.2253 7.4771 7.4771 8.1485 8.1485 16.8067 16.8067 18.7427 18.7427 k = 0.3600 0.5312-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4868 -37.4868 -37.4785 -37.4785 4.0428 4.0428 5.4232 5.4232 5.7336 5.7336 6.1356 6.1356 7.0560 7.0560 7.2274 7.2274 7.5351 7.5351 8.0735 8.0735 16.8857 16.8857 18.7252 18.7252 k = 0.3533 0.5427-0.0000 ( 5051 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4858 -37.4858 -37.4794 -37.4794 4.0460 4.0460 5.4472 5.4472 5.7306 5.7306 6.1097 6.1097 7.0558 7.0558 7.2285 7.2285 7.5954 7.5954 7.9995 7.9995 16.9491 16.9491 18.7309 18.7309 k = 0.3467 0.5543-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4848 -37.4848 -37.4805 -37.4805 4.0484 4.0484 5.4646 5.4646 5.7319 5.7319 6.0877 6.0877 7.0556 7.0556 7.2291 7.2291 7.6577 7.6577 7.9270 7.9270 16.9946 16.9946 18.7619 18.7619 k = 0.3400 0.5658-0.0000 ( 5045 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4838 -37.4838 -37.4815 -37.4815 4.0499 4.0499 5.4745 5.4745 5.7357 5.7357 6.0723 6.0723 7.0556 7.0556 7.2293 7.2293 7.7214 7.7214 7.8567 7.8567 17.0212 17.0212 18.8185 18.8185 k = 0.3333 0.5774-0.0000 ( 5043 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4829 -37.4829 -37.4823 -37.4823 4.0504 4.0504 5.4776 5.4776 5.7379 5.7379 6.0665 6.0665 7.0555 7.0555 7.2294 7.2294 7.7780 7.7780 7.7978 7.7978 17.0296 17.0296 18.8859 18.8859 k = 0.3333 0.5774-0.0000 ( 5043 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4829 -37.4829 -37.4823 -37.4823 4.0504 4.0504 5.4776 5.4776 5.7379 5.7379 6.0665 6.0665 7.0555 7.0555 7.2294 7.2294 7.7780 7.7780 7.7978 7.7978 17.0296 17.0296 18.8859 18.8859 k = 0.3267 0.5658-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4838 -37.4838 -37.4815 -37.4815 4.0498 4.0498 5.4750 5.4750 5.7344 5.7344 6.0729 6.0729 7.0556 7.0556 7.2294 7.2294 7.7224 7.7224 7.8559 7.8559 17.0220 17.0220 18.8070 18.8070 k = 0.3200 0.5543-0.0000 ( 5051 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4849 -37.4849 -37.4804 -37.4804 4.0483 4.0483 5.4684 5.4684 5.7227 5.7227 6.0918 6.0918 7.0556 7.0556 7.2293 7.2293 7.6622 7.6622 7.9244 7.9244 17.0012 17.0012 18.7140 18.7140 k = 0.3133 0.5427-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4861 -37.4861 -37.4792 -37.4792 4.0457 4.0457 5.4587 5.4587 5.7033 5.7033 6.1209 6.1209 7.0556 7.0556 7.2294 7.2294 7.6069 7.6069 7.9945 7.9945 16.9700 16.9700 18.6207 18.6207 k = 0.3067 0.5312-0.0000 ( 5049 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4873 -37.4873 -37.4780 -37.4780 4.0420 4.0420 5.4469 5.4469 5.6779 5.6779 6.1565 6.1565 7.0555 7.0555 7.2298 7.2298 7.5578 7.5578 8.0662 8.0662 16.9311 16.9311 18.5276 18.5276 k = 0.3000 0.5196-0.0000 ( 5049 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4885 -37.4885 -37.4768 -37.4768 4.0372 4.0372 5.4332 5.4332 5.6488 5.6488 6.1949 6.1949 7.0553 7.0553 7.2308 7.2308 7.5163 7.5163 8.1394 8.1394 16.8865 16.8865 18.4346 18.4346 k = 0.2933 0.5081-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4898 -37.4898 -37.4755 -37.4755 4.0312 4.0312 5.4177 5.4177 5.6178 5.6178 6.2326 6.2326 7.0547 7.0547 7.2327 7.2327 7.4840 7.4840 8.2141 8.2141 16.8378 16.8378 18.3418 18.3418 k = 0.2867 0.4965-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4911 -37.4911 -37.4743 -37.4743 4.0240 4.0240 5.4004 5.4004 5.5864 5.5864 6.2665 6.2665 7.0537 7.0537 7.2357 7.2357 7.4626 7.4626 8.2902 8.2902 16.7865 16.7865 18.2492 18.2492 k = 0.2800 0.4850-0.0000 ( 5049 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9570 -39.9570 -39.9187 -39.9187 -37.4923 -37.4923 -37.4730 -37.4730 4.0157 4.0157 5.3807 5.3807 5.5560 5.5560 6.2941 6.2941 7.0524 7.0524 7.2398 7.2398 7.4540 7.4540 8.3679 8.3679 16.7333 16.7333 18.1567 18.1567 k = 0.2733 0.4734-0.0000 ( 5049 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9570 -39.9570 -39.9187 -39.9187 -37.4936 -37.4936 -37.4718 -37.4718 4.0060 4.0060 5.3584 5.3584 5.5276 5.5276 6.3133 6.3133 7.0509 7.0509 7.2445 7.2445 7.4601 7.4601 8.4470 8.4470 16.6790 16.6790 18.0644 18.0644 k = 0.2667 0.4619-0.0000 ( 5053 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9570 -39.9570 -39.9187 -39.9187 -37.4950 -37.4950 -37.4705 -37.4705 3.9951 3.9951 5.3330 5.3330 5.5020 5.5020 6.3229 6.3229 7.0495 7.0495 7.2489 7.2489 7.4822 7.4822 8.5276 8.5276 16.6242 16.6242 17.9722 17.9722 k = 0.2600 0.4503-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9570 -39.9570 -39.9187 -39.9187 -37.4963 -37.4963 -37.4692 -37.4692 3.9828 3.9828 5.3047 5.3047 5.4798 5.4798 6.3227 6.3227 7.0484 7.0484 7.2524 7.2524 7.5209 7.5209 8.6097 8.6097 16.5691 16.5691 17.8801 17.8801 k = 0.2533 0.4388-0.0000 ( 5039 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9187 -39.9187 -37.4976 -37.4976 -37.4679 -37.4679 3.9692 3.9692 5.2737 5.2737 5.4607 5.4607 6.3133 6.3133 7.0478 7.0478 7.2549 7.2549 7.5750 7.5750 8.6933 8.6933 16.5140 16.5140 17.7880 17.7880 k = 0.2467 0.4272-0.0000 ( 5041 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9187 -39.9187 -37.4990 -37.4990 -37.4666 -37.4666 3.9542 3.9542 5.2409 5.2409 5.4443 5.4443 6.2962 6.2962 7.0476 7.0476 7.2567 7.2567 7.6429 7.6429 8.7785 8.7785 16.4591 16.4591 17.6959 17.6959 k = 0.2400 0.4157-0.0000 ( 5041 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9568 -39.9568 -39.9186 -39.9186 -37.5003 -37.5003 -37.4653 -37.4653 3.9378 3.9378 5.2069 5.2069 5.4303 5.4303 6.2727 6.2727 7.0479 7.0479 7.2581 7.2581 7.7226 7.7226 8.8652 8.8652 16.4045 16.4045 17.6038 17.6038 k = 0.2333 0.4041-0.0000 ( 5041 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9568 -39.9568 -39.9186 -39.9186 -37.5016 -37.5016 -37.4640 -37.4640 3.9200 3.9200 5.1723 5.1723 5.4182 5.4182 6.2445 6.2445 7.0486 7.0486 7.2592 7.2592 7.8123 7.8123 8.9535 8.9535 16.3502 16.3502 17.5114 17.5114 k = 0.2267 0.3926-0.0000 ( 5039 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9567 -39.9567 -39.9186 -39.9186 -37.5030 -37.5030 -37.4627 -37.4627 3.9007 3.9007 5.1377 5.1377 5.4076 5.4076 6.2129 6.2129 7.0496 7.0496 7.2603 7.2603 7.9106 7.9106 9.0433 9.0433 16.2963 16.2963 17.4189 17.4189 k = 0.2200 0.3811-0.0000 ( 5039 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9567 -39.9567 -39.9186 -39.9186 -37.5043 -37.5043 -37.4614 -37.4614 3.8801 3.8801 5.1036 5.1036 5.3981 5.3981 6.1790 6.1790 7.0508 7.0508 7.2614 7.2614 8.0162 8.0162 9.1347 9.1347 16.2426 16.2426 17.3260 17.3260 k = 0.2133 0.3695-0.0000 ( 5045 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9566 -39.9566 -39.9186 -39.9186 -37.5057 -37.5057 -37.4601 -37.4601 3.8581 3.8581 5.0703 5.0703 5.3896 5.3896 6.1436 6.1436 7.0521 7.0521 7.2625 7.2625 8.1281 8.1281 9.2277 9.2277 16.1892 16.1892 17.2327 17.2327 k = 0.2067 0.3580-0.0000 ( 5043 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9566 -39.9566 -39.9186 -39.9186 -37.5070 -37.5070 -37.4588 -37.4588 3.8348 3.8348 5.0381 5.0381 5.3820 5.3820 6.1075 6.1075 7.0537 7.0537 7.2637 7.2637 8.2455 8.2455 9.3223 9.3223 16.1360 16.1360 17.1389 17.1389 k = 0.2000 0.3464-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9565 -39.9565 -39.9185 -39.9185 -37.5083 -37.5083 -37.4576 -37.4576 3.8103 3.8103 5.0070 5.0070 5.3750 5.3750 6.0712 6.0712 7.0553 7.0553 7.2650 7.2650 8.3678 8.3678 9.4185 9.4185 16.0827 16.0827 17.0444 17.0444 k = 0.1933 0.3349-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9565 -39.9565 -39.9185 -39.9185 -37.5096 -37.5096 -37.4563 -37.4563 3.7846 3.7846 4.9774 4.9774 5.3686 5.3686 6.0351 6.0351 7.0570 7.0570 7.2663 7.2663 8.4945 8.4945 9.5163 9.5163 16.0294 16.0294 16.9492 16.9492 k = 0.1867 0.3233-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9564 -39.9564 -39.9185 -39.9185 -37.5109 -37.5109 -37.4551 -37.4551 3.7578 3.7578 4.9492 4.9492 5.3627 5.3627 5.9996 5.9996 7.0588 7.0588 7.2677 7.2677 8.6252 8.6252 9.6157 9.6157 15.9757 15.9757 16.8529 16.8529 k = 0.1800 0.3118-0.0000 ( 5051 PWs) bands (ev): -75.6285 -75.6285 -44.4149 -44.4149 -39.9563 -39.9563 -39.9185 -39.9185 -37.5122 -37.5122 -37.4539 -37.4539 3.7301 3.7301 4.9226 4.9226 5.3572 5.3572 5.9649 5.9649 7.0607 7.0607 7.2692 7.2692 8.7594 8.7594 9.7167 9.7167 15.9216 15.9216 16.7555 16.7555 k = 0.1733 0.3002-0.0000 ( 5039 PWs) bands (ev): -75.6285 -75.6285 -44.4148 -44.4148 -39.9563 -39.9563 -39.9185 -39.9185 -37.5134 -37.5134 -37.4527 -37.4527 3.7016 3.7016 4.8976 4.8976 5.3520 5.3520 5.9312 5.9312 7.0626 7.0626 7.2707 7.2707 8.8968 8.8968 9.8194 9.8194 15.8667 15.8667 16.6568 16.6568 k = 0.1667 0.2887-0.0000 ( 5043 PWs) bands (ev): -75.6285 -75.6285 -44.4148 -44.4148 -39.9562 -39.9562 -39.9184 -39.9184 -37.5147 -37.5147 -37.4516 -37.4516 3.6725 3.6725 4.8741 4.8741 5.3471 5.3471 5.8987 5.8987 7.0646 7.0646 7.2722 7.2722 9.0373 9.0373 9.9237 9.9237 15.8109 15.8109 16.5566 16.5566 k = 0.1600 0.2771-0.0000 ( 5045 PWs) bands (ev): -75.6285 -75.6285 -44.4148 -44.4148 -39.9561 -39.9561 -39.9184 -39.9184 -37.5159 -37.5159 -37.4504 -37.4504 3.6429 3.6429 4.8521 4.8521 5.3425 5.3425 5.8675 5.8675 7.0666 7.0666 7.2738 7.2738 9.1805 9.1805 10.0296 10.0296 15.7540 15.7540 16.4547 16.4547 k = 0.1533 0.2656-0.0000 ( 5041 PWs) bands (ev): -75.6285 -75.6285 -44.4148 -44.4148 -39.9560 -39.9560 -39.9184 -39.9184 -37.5170 -37.5170 -37.4493 -37.4493 3.6130 3.6130 4.8317 4.8317 5.3379 5.3379 5.8377 5.8377 7.0686 7.0686 7.2755 7.2755 9.3262 9.3262 10.1371 10.1371 15.6955 15.6955 16.3509 16.3509 k = 0.1467 0.2540-0.0000 ( 5049 PWs) bands (ev): -75.6285 -75.6285 -44.4148 -44.4148 -39.9560 -39.9560 -39.9184 -39.9184 -37.5182 -37.5182 -37.4483 -37.4483 3.5829 3.5829 4.8127 4.8127 5.3335 5.3335 5.8094 5.8094 7.0707 7.0707 7.2771 7.2771 9.4742 9.4742 10.2462 10.2462 15.6353 15.6353 16.2451 16.2451 k = 0.1400 0.2425-0.0000 ( 5045 PWs) bands (ev): -75.6285 -75.6285 -44.4147 -44.4147 -39.9559 -39.9559 -39.9184 -39.9184 -37.5193 -37.5193 -37.4472 -37.4472 3.5529 3.5529 4.7952 4.7952 5.3291 5.3291 5.7826 5.7826 7.0727 7.0727 7.2788 7.2788 9.6243 9.6243 10.3568 10.3568 15.5730 15.5730 16.1371 16.1371 k = 0.1333 0.2309-0.0000 ( 5041 PWs) bands (ev): -75.6285 -75.6285 -44.4147 -44.4147 -39.9558 -39.9558 -39.9183 -39.9183 -37.5203 -37.5203 -37.4462 -37.4462 3.5232 3.5232 4.7790 4.7790 5.3247 5.3247 5.7574 5.7574 7.0747 7.0747 7.2804 7.2804 9.7763 9.7763 10.4691 10.4691 15.5082 15.5082 16.0269 16.0269 k = 0.1267 0.2194-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4147 -44.4147 -39.9558 -39.9558 -39.9183 -39.9183 -37.5214 -37.5214 -37.4453 -37.4453 3.4938 3.4938 4.7640 4.7640 5.3202 5.3202 5.7339 5.7339 7.0767 7.0767 7.2821 7.2821 9.9298 9.9298 10.5829 10.5829 15.4407 15.4407 15.9144 15.9144 k = 0.1200 0.2078-0.0000 ( 5045 PWs) bands (ev): -75.6285 -75.6285 -44.4147 -44.4147 -39.9557 -39.9557 -39.9183 -39.9183 -37.5224 -37.5224 -37.4443 -37.4443 3.4649 3.4649 4.7503 4.7503 5.3157 5.3157 5.7121 5.7121 7.0787 7.0787 7.2838 7.2838 10.0848 10.0848 10.6982 10.6982 15.3699 15.3699 15.7996 15.7996 k = 0.1133 0.1963-0.0000 ( 5047 PWs) bands (ev): -75.6285 -75.6285 -44.4147 -44.4147 -39.9556 -39.9556 -39.9183 -39.9183 -37.5233 -37.5233 -37.4434 -37.4434 3.4368 3.4368 4.7377 4.7377 5.3111 5.3111 5.6919 5.6919 7.0806 7.0806 7.2854 7.2854 10.2410 10.2410 10.8149 10.8149 15.2957 15.2957 15.6826 15.6826 k = 0.1067 0.1848-0.0000 ( 5045 PWs) bands (ev): -75.6285 -75.6285 -44.4147 -44.4147 -39.9556 -39.9556 -39.9183 -39.9183 -37.5243 -37.5243 -37.4426 -37.4426 3.4095 3.4095 4.7262 4.7262 5.3064 5.3064 5.6734 5.6734 7.0825 7.0825 7.2871 7.2871 10.3980 10.3980 10.9331 10.9331 15.2175 15.2175 15.5636 15.5636 k = 0.1000 0.1732-0.0000 ( 5031 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9555 -39.9555 -39.9182 -39.9182 -37.5251 -37.5251 -37.4418 -37.4418 3.3832 3.3832 4.7157 4.7157 5.3016 5.3016 5.6566 5.6566 7.0843 7.0843 7.2886 7.2886 10.5556 10.5556 11.0526 11.0526 15.1350 15.1350 15.4430 15.4430 k = 0.0933 0.1617-0.0000 ( 5035 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9554 -39.9554 -39.9182 -39.9182 -37.5259 -37.5259 -37.4410 -37.4410 3.3581 3.3581 4.7061 4.7061 5.2966 5.2966 5.6413 5.6413 7.0860 7.0860 7.2902 7.2902 10.7134 10.7134 11.1733 11.1733 15.0478 15.0478 15.3211 15.3211 k = 0.0867 0.1501-0.0000 ( 5031 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9554 -39.9554 -39.9182 -39.9182 -37.5267 -37.5267 -37.4403 -37.4403 3.3341 3.3341 4.6974 4.6974 5.2917 5.2917 5.6277 5.6277 7.0876 7.0876 7.2917 7.2917 10.8710 10.8710 11.2952 11.2952 14.9558 14.9558 15.1984 15.1984 k = 0.0800 0.1386-0.0000 ( 5031 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9553 -39.9553 -39.9182 -39.9182 -37.5274 -37.5274 -37.4396 -37.4396 3.3116 3.3116 4.6895 4.6895 5.2867 5.2867 5.6155 5.6155 7.0891 7.0891 7.2931 7.2931 11.0279 11.0279 11.4181 11.4181 14.8586 14.8586 15.0754 15.0754 k = 0.0733 0.1270-0.0000 ( 5027 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9553 -39.9553 -39.9182 -39.9182 -37.5281 -37.5281 -37.4390 -37.4390 3.2905 3.2905 4.6825 4.6825 5.2818 5.2818 5.6047 5.6047 7.0906 7.0906 7.2944 7.2944 11.1835 11.1835 11.5419 11.5419 14.7565 14.7565 14.9528 14.9528 k = 0.0667 0.1155-0.0000 ( 5023 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9552 -39.9552 -39.9182 -39.9182 -37.5287 -37.5287 -37.4384 -37.4384 3.2709 3.2709 4.6761 4.6761 5.2770 5.2770 5.5952 5.5952 7.0919 7.0919 7.2957 7.2957 11.3372 11.3372 11.6662 11.6662 14.6498 14.6498 14.8309 14.8309 k = 0.0600 0.1039-0.0000 ( 5027 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9552 -39.9552 -39.9181 -39.9181 -37.5293 -37.5293 -37.4379 -37.4379 3.2530 3.2530 4.6705 4.6705 5.2723 5.2723 5.5870 5.5870 7.0932 7.0932 7.2969 7.2969 11.4880 11.4880 11.7907 11.7907 14.5394 14.5394 14.7102 14.7102 k = 0.0533 0.0924-0.0000 ( 5021 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9551 -39.9551 -39.9181 -39.9181 -37.5298 -37.5298 -37.4374 -37.4374 3.2367 3.2367 4.6656 4.6656 5.2679 5.2679 5.5800 5.5800 7.0943 7.0943 7.2980 7.2980 11.6349 11.6349 11.9150 11.9150 14.4266 14.4266 14.5910 14.5910 k = 0.0467 0.0808-0.0000 ( 5025 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9551 -39.9551 -39.9181 -39.9181 -37.5302 -37.5302 -37.4370 -37.4370 3.2222 3.2222 4.6613 4.6613 5.2638 5.2638 5.5740 5.5740 7.0953 7.0953 7.2990 7.2990 11.7764 11.7764 12.0380 12.0380 14.3131 14.3131 14.4738 14.4738 k = 0.0400 0.0693-0.0000 ( 5029 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9551 -39.9551 -39.9181 -39.9181 -37.5306 -37.5306 -37.4367 -37.4367 3.2096 3.2096 4.6577 4.6577 5.2601 5.2601 5.5690 5.5690 7.0961 7.0961 7.2998 7.2998 11.9108 11.9108 12.1587 12.1587 14.2014 14.2014 14.3594 14.3594 k = 0.0333 0.0577-0.0000 ( 5025 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9551 -39.9551 -39.9181 -39.9181 -37.5310 -37.5310 -37.4364 -37.4364 3.1988 3.1988 4.6546 4.6546 5.2569 5.2569 5.5650 5.5650 7.0969 7.0969 7.3006 7.3006 12.0359 12.0359 12.2749 12.2749 14.0941 14.0941 14.2496 14.2496 k = 0.0267 0.0462-0.0000 ( 5015 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9550 -39.9550 -39.9181 -39.9181 -37.5312 -37.5312 -37.4361 -37.4361 3.1899 3.1899 4.6521 4.6521 5.2542 5.2542 5.5617 5.5617 7.0975 7.0975 7.3012 7.3012 12.1486 12.1486 12.3835 12.3835 13.9947 13.9947 14.1471 14.1471 k = 0.0200 0.0346-0.0000 ( 5017 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9550 -39.9550 -39.9181 -39.9181 -37.5315 -37.5315 -37.4359 -37.4359 3.1830 3.1830 4.6502 4.6502 5.2520 5.2520 5.5592 5.5592 7.0980 7.0980 7.3017 7.3017 12.2452 12.2452 12.4800 12.4800 13.9075 13.9075 14.0562 14.0562 k = 0.0133 0.0231-0.0000 ( 5015 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9550 -39.9550 -39.9181 -39.9181 -37.5316 -37.5316 -37.4358 -37.4358 3.1780 3.1780 4.6489 4.6489 5.2504 5.2504 5.5575 5.5575 7.0983 7.0983 7.3020 7.3020 12.3206 12.3206 12.5579 12.5579 13.8382 13.8382 13.9828 13.9828 k = 0.0067 0.0115-0.0000 ( 5007 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9550 -39.9550 -39.9181 -39.9181 -37.5317 -37.5317 -37.4357 -37.4357 3.1750 3.1750 4.6480 4.6480 5.2495 5.2495 5.5565 5.5565 7.0985 7.0985 7.3022 7.3022 12.3691 12.3691 12.6095 12.6095 13.7928 13.7928 13.9344 13.9344 k = 0.0000 0.0000 0.0000 ( 5003 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9550 -39.9550 -39.9181 -39.9181 -37.5317 -37.5317 -37.4356 -37.4356 3.1740 3.1740 4.6478 4.6478 5.2492 5.2492 5.5561 5.5561 7.0986 7.0986 7.3023 7.3023 12.3859 12.3859 12.6277 12.6277 13.7770 13.7770 13.9173 13.9173 k = 0.0000 0.0000 0.0000 ( 5003 PWs) bands (ev): -75.6285 -75.6285 -44.4145 -44.4145 -39.9550 -39.9550 -39.9181 -39.9181 -37.5317 -37.5317 -37.4356 -37.4356 3.1740 3.1740 4.6478 4.6478 5.2492 5.2492 5.5561 5.5561 7.0986 7.0986 7.3023 7.3023 12.3859 12.3859 12.6277 12.6277 13.7770 13.7770 13.9173 13.9173 k = 0.0000 0.0000 0.0133 ( 5015 PWs) bands (ev): -75.6285 -75.6285 -44.4146 -44.4146 -39.9550 -39.9550 -39.9182 -39.9182 -37.5317 -37.5317 -37.4356 -37.4356 3.1757 3.1757 4.6489 4.6489 5.2497 5.2497 5.5567 5.5567 7.0964 7.0964 7.3000 7.3000 12.3894 12.3894 12.6312 12.6312 13.7775 13.7775 13.9177 13.9177 k = 0.0000 0.0000 0.0267 ( 5015 PWs) bands (ev): -75.6285 -75.6285 -44.4147 -44.4147 -39.9549 -39.9549 -39.9186 -39.9186 -37.5317 -37.5317 -37.4356 -37.4356 3.1808 3.1808 4.6523 4.6523 5.2512 5.2512 5.5584 5.5584 7.0897 7.0897 7.2931 7.2931 12.4000 12.4000 12.6419 12.6419 13.7791 13.7791 13.9191 13.9191 k = 0.0000 0.0000 0.0400 ( 5015 PWs) bands (ev): -75.6284 -75.6284 -44.4149 -44.4149 -39.9548 -39.9548 -39.9192 -39.9192 -37.5316 -37.5316 -37.4355 -37.4355 3.1892 3.1892 4.6580 4.6580 5.2537 5.2537 5.5611 5.5611 7.0786 7.0786 7.2818 7.2818 12.4174 12.4174 12.6595 12.6595 13.7817 13.7817 13.9214 13.9214 k = 0.0000 0.0000 0.0534 ( 5015 PWs) bands (ev): -75.6283 -75.6283 -44.4151 -44.4151 -39.9547 -39.9547 -39.9200 -39.9200 -37.5314 -37.5314 -37.4354 -37.4354 3.2010 3.2010 4.6660 4.6660 5.2572 5.2572 5.5650 5.5650 7.0633 7.0633 7.2661 7.2661 12.4417 12.4417 12.6840 12.6840 13.7853 13.7853 13.9246 13.9246 k = 0.0000 0.0000 0.0667 ( 5027 PWs) bands (ev): -75.6282 -75.6282 -44.4155 -44.4155 -39.9545 -39.9545 -39.9211 -39.9211 -37.5313 -37.5313 -37.4353 -37.4353 3.2161 3.2161 4.6763 4.6763 5.2616 5.2616 5.5700 5.5700 7.0439 7.0439 7.2461 7.2461 12.4727 12.4727 12.7153 12.7153 13.7900 13.7900 13.9288 13.9288 k = 0.0000 0.0000 0.0800 ( 5027 PWs) bands (ev): -75.6280 -75.6280 -44.4159 -44.4159 -39.9543 -39.9543 -39.9225 -39.9225 -37.5311 -37.5311 -37.4352 -37.4352 3.2344 3.2344 4.6890 4.6890 5.2671 5.2671 5.5761 5.5761 7.0205 7.0205 7.2221 7.2221 12.5103 12.5103 12.7531 12.7531 13.7957 13.7957 13.9338 13.9338 k = 0.0000 0.0000 0.0934 ( 5021 PWs) bands (ev): -75.6278 -75.6278 -44.4164 -44.4164 -39.9541 -39.9541 -39.9240 -39.9240 -37.5309 -37.5309 -37.4350 -37.4350 3.2559 3.2559 4.7040 4.7040 5.2734 5.2734 5.5832 5.5832 6.9933 6.9933 7.1943 7.1943 12.5542 12.5542 12.7974 12.7974 13.8024 13.8024 13.9398 13.9398 k = 0.0000 0.0000 0.1067 ( 5027 PWs) bands (ev): -75.6276 -75.6276 -44.4169 -44.4169 -39.9538 -39.9538 -39.9258 -39.9258 -37.5306 -37.5306 -37.4348 -37.4348 3.2805 3.2805 4.7214 4.7214 5.2808 5.2808 5.5914 5.5914 6.9627 6.9627 7.1628 7.1628 12.6043 12.6043 12.8478 12.8478 13.8102 13.8102 13.9466 13.9466 k = 0.0000 0.0000 0.1200 ( 5033 PWs) bands (ev): -75.6273 -75.6273 -44.4175 -44.4175 -39.9535 -39.9535 -39.9278 -39.9278 -37.5303 -37.5303 -37.4346 -37.4346 3.3081 3.3081 4.7412 4.7412 5.2890 5.2890 5.6006 5.6006 6.9288 6.9288 7.1280 7.1280 12.6602 12.6602 12.9042 12.9042 13.8190 13.8190 13.9544 13.9544 k = 0.0000 0.0000 0.1334 ( 5045 PWs) bands (ev): -75.6271 -75.6271 -44.4182 -44.4182 -39.9532 -39.9532 -39.9301 -39.9301 -37.5300 -37.5300 -37.4343 -37.4343 3.3386 3.3386 4.7635 4.7635 5.2981 5.2981 5.6109 5.6109 6.8918 6.8918 7.0901 7.0901 12.7218 12.7218 12.9663 12.9663 13.8289 13.8289 13.9631 13.9631 k = 0.0000 0.0000 0.1467 ( 5033 PWs) bands (ev): -75.6268 -75.6268 -44.4190 -44.4190 -39.9528 -39.9528 -39.9325 -39.9325 -37.5296 -37.5296 -37.4340 -37.4340 3.3719 3.3719 4.7884 4.7884 5.3081 5.3081 5.6221 5.6221 6.8522 6.8522 7.0493 7.0493 12.7889 12.7889 13.0338 13.0338 13.8397 13.8397 13.9727 13.9727 k = 0.0000 0.0000 0.1601 ( 5021 PWs) bands (ev): -75.6265 -75.6265 -44.4198 -44.4198 -39.9524 -39.9524 -39.9351 -39.9351 -37.5292 -37.5292 -37.4337 -37.4337 3.4078 3.4078 4.8159 4.8159 5.3190 5.3190 5.6343 5.6343 6.8101 6.8101 7.0061 7.0061 12.8611 12.8611 13.1065 13.1065 13.8517 13.8517 13.9831 13.9831 k = 0.0000 0.0000 0.1734 ( 5033 PWs) bands (ev): -75.6261 -75.6261 -44.4207 -44.4207 -39.9520 -39.9520 -39.9380 -39.9380 -37.5288 -37.5288 -37.4334 -37.4334 3.4463 3.4463 4.8459 4.8459 5.3306 5.3306 5.6475 5.6475 6.7658 6.7658 6.9605 6.9605 12.9382 12.9382 13.1840 13.1840 13.8646 13.8646 13.9945 13.9945 k = 0.0000 0.0000 0.1867 ( 5033 PWs) bands (ev): -75.6257 -75.6257 -44.4217 -44.4217 -39.9515 -39.9515 -39.9410 -39.9410 -37.5284 -37.5284 -37.4331 -37.4331 3.4871 3.4871 4.8787 4.8787 5.3430 5.3430 5.6615 5.6615 6.7196 6.7196 6.9130 6.9130 13.0200 13.0200 13.2663 13.2663 13.8786 13.8786 14.0067 14.0067 k = 0.0000 0.0000 0.2001 ( 5033 PWs) bands (ev): -75.6254 -75.6254 -44.4227 -44.4227 -39.9510 -39.9510 -39.9441 -39.9441 -37.5279 -37.5279 -37.4327 -37.4327 3.5301 3.5301 4.9143 4.9143 5.3562 5.3562 5.6765 5.6765 6.6718 6.6718 6.8638 6.8638 13.1062 13.1062 13.3529 13.3529 13.8937 13.8937 14.0198 14.0198 k = 0.0000 0.0000 0.2134 ( 5045 PWs) bands (ev): -75.6250 -75.6250 -44.4237 -44.4237 -39.9505 -39.9505 -39.9475 -39.9475 -37.5274 -37.5274 -37.4323 -37.4323 3.5751 3.5751 4.9527 4.9527 5.3700 5.3700 5.6923 5.6923 6.6226 6.6226 6.8131 6.8131 13.1967 13.1967 13.4437 13.4437 13.9099 13.9099 14.0338 14.0338 k = 0.0000 0.0000 0.2267 ( 5045 PWs) bands (ev): -75.6245 -75.6245 -44.4248 -44.4248 -39.9510 -39.9510 -39.9500 -39.9500 -37.5269 -37.5269 -37.4319 -37.4319 3.6218 3.6218 4.9940 4.9940 5.3844 5.3844 5.7089 5.7089 6.5724 6.5724 6.7613 6.7613 13.2911 13.2911 13.5383 13.5383 13.9272 13.9272 14.0486 14.0486 k = 0.0000 0.0000 0.2401 ( 5033 PWs) bands (ev): -75.6241 -75.6241 -44.4260 -44.4260 -39.9546 -39.9546 -39.9494 -39.9494 -37.5263 -37.5263 -37.4315 -37.4315 3.6702 3.6702 5.0383 5.0383 5.3995 5.3995 5.7263 5.7263 6.5214 6.5214 6.7085 6.7085 13.3893 13.3893 13.6364 13.6364 13.9457 13.9457 14.0643 14.0643 k = 0.0000 0.0000 0.2534 ( 5033 PWs) bands (ev): -75.6236 -75.6236 -44.4272 -44.4272 -39.9584 -39.9584 -39.9489 -39.9489 -37.5258 -37.5258 -37.4311 -37.4311 3.7200 3.7200 5.0856 5.0856 5.4150 5.4150 5.7444 5.7444 6.4698 6.4698 6.6551 6.6551 13.4911 13.4911 13.7374 13.7374 13.9659 13.9659 14.0809 14.0809 k = 0.0000 0.0000 0.2668 ( 5033 PWs) bands (ev): -75.6231 -75.6231 -44.4284 -44.4284 -39.9623 -39.9623 -39.9483 -39.9483 -37.5252 -37.5252 -37.4306 -37.4306 3.7709 3.7709 5.1358 5.1358 5.4310 5.4310 5.7632 5.7632 6.4180 6.4180 6.6011 6.6011 13.5963 13.5963 13.8401 13.8401 13.9889 13.9889 14.0982 14.0982 k = 0.0000 0.0000 0.2801 ( 5039 PWs) bands (ev): -75.6226 -75.6226 -44.4297 -44.4297 -39.9663 -39.9663 -39.9476 -39.9476 -37.5246 -37.5246 -37.4302 -37.4302 3.8228 3.8228 5.1891 5.1891 5.4474 5.4474 5.7827 5.7827 6.3663 6.3663 6.5470 6.5470 13.7046 13.7046 13.9382 13.9382 14.0206 14.0206 14.1164 14.1164 k = 0.0000 0.0000 0.2934 ( 5039 PWs) bands (ev): -75.6221 -75.6221 -44.4311 -44.4311 -39.9704 -39.9704 -39.9470 -39.9470 -37.5240 -37.5240 -37.4297 -37.4297 3.8753 3.8753 5.2453 5.2453 5.4641 5.4641 5.8027 5.8027 6.3151 6.3151 6.4929 6.4929 13.8160 13.8160 14.0034 14.0034 14.0892 14.0892 14.1353 14.1353 k = 0.0000 0.0000 0.3068 ( 5039 PWs) bands (ev): -75.6216 -75.6216 -44.4324 -44.4324 -39.9745 -39.9745 -39.9464 -39.9464 -37.5233 -37.5233 -37.4292 -37.4292 3.9284 3.9284 5.3043 5.3043 5.4809 5.4809 5.8233 5.8233 6.2647 6.2647 6.4391 6.4391 13.9303 13.9303 14.0360 14.0360 14.1550 14.1550 14.1942 14.1942 k = 0.0000 0.0000 0.3201 ( 5033 PWs) bands (ev): -75.6211 -75.6211 -44.4338 -44.4338 -39.9788 -39.9788 -39.9457 -39.9457 -37.5227 -37.5227 -37.4287 -37.4287 3.9818 3.9818 5.3657 5.3657 5.4978 5.4978 5.8443 5.8443 6.2157 6.2157 6.3857 6.3857 14.0471 14.0471 14.0625 14.0625 14.1755 14.1755 14.3092 14.3092 k = 0.0000 0.0000 0.3334 ( 5027 PWs) bands (ev): -75.6206 -75.6206 -44.4352 -44.4352 -39.9831 -39.9831 -39.9451 -39.9451 -37.5220 -37.5220 -37.4282 -37.4282 4.0352 4.0352 5.4289 5.4289 5.5147 5.5147 5.8659 5.8659 6.1689 6.1689 6.3331 6.3331 14.0880 14.0880 14.1661 14.1661 14.1967 14.1967 14.4285 14.4285 k = 0.0000 0.0000 0.3468 ( 5027 PWs) bands (ev): -75.6200 -75.6200 -44.4366 -44.4366 -39.9874 -39.9874 -39.9444 -39.9444 -37.5214 -37.5214 -37.4277 -37.4277 4.0885 4.0885 5.4928 5.4928 5.5313 5.5313 5.8877 5.8877 6.1256 6.1256 6.2815 6.2815 14.1138 14.1138 14.2186 14.2186 14.2866 14.2866 14.5511 14.5511 k = 0.0000 0.0000 0.3601 ( 5027 PWs) bands (ev): -75.6195 -75.6195 -44.4381 -44.4381 -39.9918 -39.9918 -39.9437 -39.9437 -37.5208 -37.5208 -37.4272 -37.4272 4.1415 4.1415 5.5474 5.5474 5.5556 5.5556 5.9099 5.9099 6.0879 6.0879 6.2312 6.2312 14.1400 14.1400 14.2413 14.2413 14.4044 14.4044 14.6764 14.6764 k = 0.0000 0.0000 0.3735 ( 5021 PWs) bands (ev): -75.6189 -75.6189 -44.4395 -44.4395 -39.9962 -39.9962 -39.9430 -39.9430 -37.5201 -37.5201 -37.4267 -37.4267 4.1940 4.1940 5.5628 5.5628 5.6133 5.6133 5.9324 5.9324 6.0597 6.0597 6.1825 6.1825 14.1669 14.1669 14.2645 14.2645 14.4458 14.4458 14.5821 14.5821 k = 0.0000 0.0000 0.3868 ( 5033 PWs) bands (ev): -75.6184 -75.6184 -44.4410 -44.4410 -40.0006 -40.0006 -39.9423 -39.9423 -37.5194 -37.5194 -37.4262 -37.4262 4.2460 4.2460 5.5771 5.5771 5.6596 5.6596 5.9550 5.9550 6.0474 6.0474 6.1359 6.1359 14.1944 14.1944 14.2865 14.2865 14.2884 14.2884 14.6847 14.6847 k = 0.0000 0.0000 0.4001 ( 5033 PWs) bands (ev): -75.6178 -75.6178 -44.4425 -44.4425 -40.0050 -40.0050 -39.9416 -39.9416 -37.5188 -37.5188 -37.4257 -37.4257 4.2971 4.2971 5.5899 5.5899 5.6863 5.6863 5.9778 5.9778 6.0594 6.0594 6.0919 6.0919 14.1056 14.1056 14.2225 14.2225 14.3128 14.3128 14.8125 14.8125 k = 0.0000 0.0000 0.4135 ( 5033 PWs) bands (ev): -75.6173 -75.6173 -44.4439 -44.4439 -40.0094 -40.0094 -39.9410 -39.9410 -37.5181 -37.5181 -37.4251 -37.4251 4.3474 4.3474 5.6004 5.6004 5.6896 5.6896 6.0007 6.0007 6.0512 6.0512 6.0994 6.0994 13.9235 13.9235 14.2512 14.2512 14.3378 14.3378 14.9449 14.9449 k = 0.0000 0.0000 0.4268 ( 5027 PWs) bands (ev): -75.6167 -75.6167 -44.4454 -44.4454 -40.0137 -40.0137 -39.9403 -39.9403 -37.5174 -37.5174 -37.4246 -37.4246 4.3967 4.3967 5.6080 5.6080 5.6743 5.6743 6.0145 6.0145 6.0235 6.0235 6.1627 6.1627 13.7421 13.7421 14.2805 14.2805 14.3633 14.3633 15.0801 15.0801 k = 0.0000 0.0000 0.4401 ( 5033 PWs) bands (ev): -75.6162 -75.6162 -44.4468 -44.4468 -40.0180 -40.0180 -39.9396 -39.9396 -37.5168 -37.5168 -37.4241 -37.4241 4.4449 4.4449 5.6116 5.6116 5.6479 5.6479 5.9830 5.9830 6.0463 6.0463 6.2417 6.2417 13.5618 13.5618 14.3102 14.3102 14.3891 14.3891 15.2175 15.2175 k = 0.0000 0.0000 0.4535 ( 5033 PWs) bands (ev): -75.6157 -75.6157 -44.4483 -44.4483 -40.0222 -40.0222 -39.9389 -39.9389 -37.5161 -37.5161 -37.4236 -37.4236 4.4920 4.4920 5.6104 5.6104 5.6157 5.6157 5.9575 5.9575 6.0690 6.0690 6.3311 6.3311 13.3829 13.3829 14.3404 14.3404 14.4154 14.4154 15.3570 15.3570 k = 0.0000 0.0000 0.4668 ( 5033 PWs) bands (ev): -75.6151 -75.6151 -44.4497 -44.4497 -40.0264 -40.0264 -39.9383 -39.9383 -37.5155 -37.5155 -37.4231 -37.4231 4.5377 4.5377 5.5807 5.5807 5.6034 5.6034 5.9389 5.9389 6.0914 6.0914 6.4278 6.4278 13.2056 13.2056 14.3710 14.3710 14.4420 14.4420 15.4984 15.4984 k = 0.0000 0.0000 0.4802 ( 5027 PWs) bands (ev): -75.6146 -75.6146 -44.4511 -44.4511 -40.0304 -40.0304 -39.9376 -39.9376 -37.5149 -37.5149 -37.4226 -37.4226 4.5821 4.5821 5.5448 5.5448 5.5906 5.5906 5.9273 5.9273 6.1135 6.1135 6.5299 6.5299 13.0299 13.0299 14.4018 14.4018 14.4688 14.4688 15.6415 15.6415 k = 0.0000 0.0000 0.4935 ( 5039 PWs) bands (ev): -75.6141 -75.6141 -44.4524 -44.4524 -40.0344 -40.0344 -39.9370 -39.9370 -37.5142 -37.5142 -37.4222 -37.4222 4.6250 4.6250 5.5090 5.5090 5.5726 5.5726 5.9222 5.9222 6.1353 6.1353 6.6365 6.6365 12.8559 12.8559 14.4328 14.4328 14.4957 14.4957 15.7864 15.7864 k = 0.0000 0.0000 0.5068 ( 5075 PWs) bands (ev): -75.6136 -75.6136 -44.4538 -44.4538 -40.0383 -40.0383 -39.9364 -39.9364 -37.5137 -37.5137 -37.4218 -37.4218 4.6663 4.6663 5.4738 5.4738 5.5503 5.5503 5.9224 5.9224 6.1567 6.1567 6.7466 6.7466 12.6836 12.6836 14.4640 14.4640 14.5227 14.5227 15.9328 15.9328 k = 0.0000 0.0000 0.5202 ( 5075 PWs) bands (ev): -75.6131 -75.6131 -44.4551 -44.4551 -40.0421 -40.0421 -39.9358 -39.9358 -37.5131 -37.5131 -37.4213 -37.4213 4.7059 4.7059 5.4397 5.4397 5.5253 5.5253 5.9267 5.9267 6.1776 6.1776 6.8600 6.8600 12.5131 12.5131 14.4952 14.4952 14.5497 14.5497 16.0489 16.0489 k = 0.0000 0.0000 0.5335 ( 5038 PWs) bands (ev): -75.6127 -75.6127 -44.4563 -44.4563 -40.0457 -40.0457 -39.9352 -39.9352 -37.5125 -37.5125 -37.4208 -37.4208 4.7436 4.7436 5.4072 5.4072 5.4986 5.4986 5.9339 5.9339 6.1979 6.1979 6.9761 6.9761 12.3444 12.3444 14.5262 14.5262 14.5766 14.5766 16.0147 16.0147 k = 0.0000 0.0000 0.5468 ( 5038 PWs) bands (ev): -75.6122 -75.6122 -44.4576 -44.4576 -40.0492 -40.0492 -39.9347 -39.9347 -37.5120 -37.5120 -37.4204 -37.4204 4.7794 4.7794 5.3763 5.3763 5.4710 5.4710 5.9430 5.9430 6.2176 6.2176 7.0946 7.0946 12.1776 12.1776 14.5570 14.5570 14.6032 14.6032 15.9819 15.9819 k = 0.0000 0.0000 0.5602 ( 5038 PWs) bands (ev): -75.6118 -75.6118 -44.4587 -44.4587 -40.0526 -40.0526 -39.9341 -39.9341 -37.5115 -37.5115 -37.4200 -37.4200 4.8130 4.8130 5.3475 5.3475 5.4435 5.4435 5.9534 5.9534 6.2366 6.2366 7.2152 7.2152 12.0126 12.0126 14.5874 14.5874 14.6294 14.6294 15.9506 15.9506 k = 0.0000 0.0000 0.5735 ( 5026 PWs) bands (ev): -75.6114 -75.6114 -44.4599 -44.4599 -40.0558 -40.0558 -39.9336 -39.9336 -37.5110 -37.5110 -37.4196 -37.4196 4.8443 4.8443 5.3209 5.3209 5.4164 5.4164 5.9644 5.9644 6.2548 6.2548 7.3377 7.3377 11.8496 11.8496 14.6172 14.6172 14.6551 14.6551 15.9209 15.9209 k = 0.0000 0.0000 0.5869 ( 5014 PWs) bands (ev): -75.6110 -75.6110 -44.4609 -44.4609 -40.0588 -40.0588 -39.9331 -39.9331 -37.5105 -37.5105 -37.4192 -37.4192 4.8728 4.8728 5.2969 5.2969 5.3902 5.3902 5.9758 5.9758 6.2722 6.2722 7.4618 7.4618 11.6886 11.6886 14.6464 14.6464 14.6802 14.6802 15.8929 15.8929 k = 0.0000 0.0000 0.6002 ( 5008 PWs) bands (ev): -75.6106 -75.6106 -44.4619 -44.4619 -40.0617 -40.0617 -39.9327 -39.9327 -37.5100 -37.5100 -37.4189 -37.4189 4.8985 4.8985 5.2757 5.2757 5.3650 5.3650 5.9872 5.9872 6.2887 6.2887 7.5872 7.5872 11.5296 11.5296 14.6747 14.6747 14.7045 14.7045 15.8665 15.8665 k = 0.0000 0.0000 0.6135 ( 5020 PWs) bands (ev): -75.6103 -75.6103 -44.4629 -44.4629 -40.0644 -40.0644 -39.9322 -39.9322 -37.5096 -37.5096 -37.4186 -37.4186 4.9209 4.9209 5.2576 5.2576 5.3413 5.3413 5.9983 5.9983 6.3043 6.3043 7.7136 7.7136 11.3728 11.3728 14.7019 14.7019 14.7279 14.7279 15.8419 15.8419 k = 0.0000 0.0000 0.6269 ( 5020 PWs) bands (ev): -75.6100 -75.6100 -44.4638 -44.4638 -40.0668 -40.0668 -39.9318 -39.9318 -37.5092 -37.5092 -37.4183 -37.4183 4.9397 4.9397 5.2429 5.2429 5.3190 5.3190 6.0090 6.0090 6.3188 6.3188 7.8408 7.8408 11.2183 11.2183 14.7279 14.7279 14.7503 14.7503 15.8191 15.8191 k = 0.0000 0.0000 0.6402 ( 5020 PWs) bands (ev): -75.6097 -75.6097 -44.4646 -44.4646 -40.0691 -40.0691 -39.9315 -39.9315 -37.5089 -37.5089 -37.4180 -37.4180 4.9548 4.9548 5.2319 5.2319 5.2984 5.2984 6.0192 6.0192 6.3323 6.3323 7.9684 7.9684 11.0664 11.0664 14.7525 14.7525 14.7713 14.7713 15.7981 15.7981 k = 0.0000 0.0000 0.6535 ( 5020 PWs) bands (ev): -75.6094 -75.6094 -44.4653 -44.4653 -40.0712 -40.0712 -39.9311 -39.9311 -37.5086 -37.5086 -37.4178 -37.4178 4.9660 4.9660 5.2245 5.2245 5.2795 5.2795 6.0286 6.0286 6.3446 6.3446 8.0960 8.0960 10.9172 10.9172 14.7756 14.7756 14.7910 14.7910 15.7790 15.7790 k = 0.0000 0.0000 0.6669 ( 5020 PWs) bands (ev): -75.6092 -75.6092 -44.4660 -44.4660 -40.0731 -40.0731 -39.9308 -39.9308 -37.5083 -37.5083 -37.4175 -37.4175 4.9734 4.9734 5.2205 5.2205 5.2625 5.2625 6.0373 6.0373 6.3558 6.3558 8.2229 8.2229 10.7712 10.7712 14.7968 14.7968 14.8091 14.8091 15.7618 15.7618 k = 0.0000 0.0000 0.6802 ( 5020 PWs) bands (ev): -75.6089 -75.6089 -44.4666 -44.4666 -40.0748 -40.0748 -39.9305 -39.9305 -37.5080 -37.5080 -37.4173 -37.4173 4.9777 4.9777 5.2195 5.2195 5.2473 5.2473 6.0452 6.0452 6.3658 6.3658 8.3485 8.3485 10.6291 10.6291 14.8160 14.8160 14.8255 14.8255 15.7466 15.7466 k = 0.0000 0.0000 0.6936 ( 5020 PWs) bands (ev): -75.6087 -75.6087 -44.4671 -44.4671 -40.0763 -40.0763 -39.9303 -39.9303 -37.5078 -37.5078 -37.4171 -37.4171 4.9795 4.9795 5.2206 5.2206 5.2340 5.2340 6.0521 6.0521 6.3745 6.3745 8.4717 8.4717 10.4919 10.4919 14.8331 14.8331 14.8401 14.8401 15.7333 15.7333 k = 0.0000 0.0000 0.7069 ( 5020 PWs) bands (ev): -75.6086 -75.6086 -44.4676 -44.4676 -40.0775 -40.0775 -39.9301 -39.9301 -37.5076 -37.5076 -37.4170 -37.4170 4.9796 4.9796 5.2227 5.2227 5.2230 5.2230 6.0581 6.0581 6.3819 6.3819 8.5908 8.5908 10.3610 10.3610 14.8479 14.8479 14.8527 14.8527 15.7220 15.7220 k = 0.0000 0.0000 0.7202 ( 5014 PWs) bands (ev): -75.6084 -75.6084 -44.4679 -44.4679 -40.0786 -40.0786 -39.9299 -39.9299 -37.5074 -37.5074 -37.4169 -37.4169 4.9787 4.9787 5.2135 5.2135 5.2260 5.2260 6.0630 6.0630 6.3880 6.3880 8.7032 8.7032 10.2391 10.2391 14.8602 14.8602 14.8632 14.8632 15.7128 15.7128 k = 0.0000 0.0000 0.7336 ( 5014 PWs) bands (ev): -75.6083 -75.6083 -44.4682 -44.4682 -40.0794 -40.0794 -39.9298 -39.9298 -37.5073 -37.5073 -37.4168 -37.4168 4.9774 4.9774 5.2062 5.2062 5.2290 5.2290 6.0668 6.0668 6.3928 6.3928 8.8048 8.8048 10.1302 10.1302 14.8699 14.8699 14.8714 14.8714 15.7056 15.7056 k = 0.0000 0.0000 0.7469 ( 5014 PWs) bands (ev): -75.6083 -75.6083 -44.4684 -44.4684 -40.0799 -40.0799 -39.9297 -39.9297 -37.5072 -37.5072 -37.4167 -37.4167 4.9762 4.9762 5.2011 5.2011 5.2314 5.2314 6.0696 6.0696 6.3963 6.3963 8.8891 8.8891 10.0407 10.0407 14.8769 14.8769 14.8774 14.8774 15.7004 15.7004 k = 0.0000 0.0000 0.7602 ( 5002 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0803 -40.0803 -39.9297 -39.9297 -37.5071 -37.5071 -37.4166 -37.4166 4.9754 4.9754 5.1980 5.1980 5.2330 5.2330 6.0713 6.0713 6.3983 6.3983 8.9465 8.9465 9.9802 9.9802 14.8810 14.8810 14.8812 14.8812 15.6973 15.6973 k = 0.0000 0.0000 0.7736 ( 4984 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9296 -39.9296 -37.5071 -37.5071 -37.4166 -37.4166 4.9751 4.9751 5.1969 5.1969 5.2335 5.2335 6.0719 6.0719 6.3990 6.3990 8.9673 8.9673 9.9584 9.9584 14.8822 14.8822 14.8826 14.8826 15.6963 15.6963 k = 0.0000 0.0000 0.7736 ( 4984 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9296 -39.9296 -37.5071 -37.5071 -37.4166 -37.4166 4.9751 4.9751 5.1969 5.1969 5.2335 5.2335 6.0719 6.0719 6.3990 6.3990 8.9673 8.9673 9.9584 9.9584 14.8822 14.8822 14.8826 14.8826 15.6963 15.6963 k = 0.0116 0.0067 0.7736 ( 5008 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9296 -39.9296 -37.5071 -37.5071 -37.4166 -37.4166 4.9753 4.9753 5.1965 5.1965 5.2344 5.2344 6.0719 6.0719 6.3991 6.3991 8.9682 8.9682 9.9580 9.9580 14.8825 14.8825 14.8831 14.8831 15.6939 15.6939 k = 0.0233 0.0134 0.7736 ( 5016 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5070 -37.5070 -37.4167 -37.4167 4.9760 4.9760 5.1953 5.1953 5.2369 5.2369 6.0719 6.0719 6.3991 6.3991 8.9709 8.9709 9.9566 9.9566 14.8829 14.8829 14.8849 14.8849 15.6867 15.6867 k = 0.0349 0.0201 0.7736 ( 5012 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5069 -37.5069 -37.4169 -37.4169 4.9770 4.9770 5.1934 5.1934 5.2413 5.2413 6.0719 6.0719 6.3993 6.3993 8.9754 8.9754 9.9544 9.9544 14.8836 14.8836 14.8880 14.8880 15.6743 15.6743 k = 0.0465 0.0269 0.7736 ( 5012 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5067 -37.5067 -37.4171 -37.4171 4.9781 4.9781 5.1906 5.1906 5.2477 5.2477 6.0719 6.0719 6.3996 6.3996 8.9817 8.9817 9.9512 9.9512 14.8845 14.8845 14.8923 14.8923 15.6564 15.6564 k = 0.0581 0.0336 0.7736 ( 5008 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5065 -37.5065 -37.4173 -37.4173 4.9793 4.9793 5.1871 5.1871 5.2563 5.2563 6.0719 6.0719 6.4000 6.4000 8.9897 8.9897 9.9472 9.9472 14.8857 14.8857 14.8978 14.8978 15.6322 15.6322 k = 0.0698 0.0403 0.7736 ( 5008 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5062 -37.5062 -37.4176 -37.4176 4.9802 4.9802 5.1829 5.1829 5.2673 5.2673 6.0718 6.0718 6.4006 6.4006 8.9993 8.9993 9.9422 9.9422 14.8871 14.8871 14.9045 14.9045 15.6009 15.6009 k = 0.0814 0.0470 0.7736 ( 5004 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5059 -37.5059 -37.4179 -37.4179 4.9806 4.9806 5.1780 5.1780 5.2808 5.2808 6.0717 6.0717 6.4015 6.4015 9.0105 9.0105 9.9364 9.9364 14.8887 14.8887 14.9123 14.9123 15.5617 15.5617 k = 0.0930 0.0537 0.7736 ( 5000 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5055 -37.5055 -37.4183 -37.4183 4.9804 4.9804 5.1725 5.1725 5.2971 5.2971 6.0715 6.0715 6.4027 6.4027 9.0233 9.0233 9.9296 9.9296 14.8906 14.8906 14.9211 14.9211 15.5135 15.5135 k = 0.1047 0.0604 0.7736 ( 4996 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5051 -37.5051 -37.4188 -37.4188 4.9793 4.9793 5.1664 5.1664 5.3163 5.3163 6.0712 6.0712 6.4043 6.4043 9.0375 9.0375 9.9218 9.9218 14.8926 14.8926 14.9309 14.9309 15.4553 15.4553 k = 0.1163 0.0671 0.7736 ( 4998 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0803 -40.0803 -39.9298 -39.9298 -37.5046 -37.5046 -37.4193 -37.4193 4.9773 4.9773 5.1597 5.1597 5.3383 5.3383 6.0709 6.0709 6.4064 6.4064 9.0530 9.0530 9.9131 9.9131 14.8949 14.8949 14.9416 14.9416 15.3862 15.3862 k = 0.1279 0.0738 0.7736 ( 4994 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0803 -40.0803 -39.9298 -39.9298 -37.5040 -37.5040 -37.4198 -37.4198 4.9743 4.9743 5.1526 5.1526 5.3631 5.3631 6.0705 6.0705 6.4091 6.4091 9.0697 9.0697 9.9034 9.9034 14.8973 14.8973 14.9531 14.9531 15.3058 15.3058 k = 0.1395 0.0806 0.7736 ( 5006 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0803 -40.0803 -39.9298 -39.9298 -37.5035 -37.5035 -37.4204 -37.4204 4.9704 4.9704 5.1451 5.1451 5.3907 5.3907 6.0701 6.0701 6.4123 6.4123 9.0876 9.0876 9.8926 9.8926 14.8999 14.8999 14.9653 14.9653 15.2138 15.2138 k = 0.1512 0.0873 0.7736 ( 5016 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0803 -40.0803 -39.9298 -39.9298 -37.5029 -37.5029 -37.4211 -37.4211 4.9655 4.9655 5.1373 5.1373 5.4208 5.4208 6.0699 6.0699 6.4162 6.4162 9.1065 9.1065 9.8809 9.8809 14.9026 14.9026 14.9779 14.9779 15.1108 15.1108 k = 0.1628 0.0940 0.7736 ( 5022 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0803 -40.0803 -39.9299 -39.9299 -37.5022 -37.5022 -37.4218 -37.4218 4.9597 4.9597 5.1292 5.1292 5.4532 5.4532 6.0700 6.0700 6.4207 6.4207 9.1263 9.1263 9.8680 9.8680 14.9054 14.9054 14.9824 14.9824 15.0059 15.0059 k = 0.1744 0.1007 0.7736 ( 5022 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0803 -40.0803 -39.9299 -39.9299 -37.5015 -37.5015 -37.4225 -37.4225 4.9531 4.9531 5.1209 5.1209 5.4876 5.4876 6.0706 6.0706 6.4260 6.4260 9.1469 9.1469 9.8540 9.8540 14.8709 14.8709 14.9087 14.9087 15.0079 15.0079 k = 0.1860 0.1074 0.7736 ( 5018 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0803 -40.0803 -39.9299 -39.9299 -37.5008 -37.5008 -37.4233 -37.4233 4.9458 4.9458 5.1124 5.1124 5.5235 5.5235 6.0721 6.0721 6.4320 6.4320 9.1681 9.1681 9.8388 9.8388 14.7403 14.7403 14.9115 14.9115 15.0220 15.0220 k = 0.1977 0.1141 0.7736 ( 5018 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0803 -40.0803 -39.9300 -39.9300 -37.5000 -37.5000 -37.4241 -37.4241 4.9379 4.9379 5.1038 5.1038 5.5605 5.5605 6.0749 6.0749 6.4388 6.4388 9.1898 9.1898 9.8224 9.8224 14.6028 14.6028 14.9146 14.9146 15.0369 15.0369 k = 0.2093 0.1208 0.7736 ( 5018 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0802 -40.0802 -39.9300 -39.9300 -37.4991 -37.4991 -37.4250 -37.4250 4.9294 4.9294 5.0952 5.0952 5.5977 5.5977 6.0797 6.0797 6.4463 6.4463 9.2119 9.2119 9.8047 9.8047 14.4604 14.4604 14.9177 14.9177 15.0521 15.0521 k = 0.2209 0.1276 0.7736 ( 5014 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0802 -40.0802 -39.9300 -39.9300 -37.4983 -37.4983 -37.4259 -37.4259 4.9205 4.9205 5.0865 5.0865 5.6344 5.6344 6.0871 6.0871 6.4546 6.4546 9.2342 9.2342 9.7856 9.7856 14.3147 14.3147 14.9208 14.9208 15.0675 15.0675 k = 0.2326 0.1343 0.7736 ( 5022 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0802 -40.0802 -39.9301 -39.9301 -37.4974 -37.4974 -37.4268 -37.4268 4.9113 4.9113 5.0779 5.0779 5.6695 5.6695 6.0981 6.0981 6.4636 6.4636 9.2567 9.2567 9.7651 9.7651 14.1673 14.1673 14.9240 14.9240 15.0830 15.0830 k = 0.2442 0.1410 0.7736 ( 5030 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0802 -40.0802 -39.9301 -39.9301 -37.4965 -37.4965 -37.4278 -37.4278 4.9017 4.9017 5.0693 5.0693 5.7017 5.7017 6.1137 6.1137 6.4733 6.4733 9.2791 9.2791 9.7431 9.7431 14.0193 14.0193 14.9271 14.9271 15.0985 15.0985 k = 0.2558 0.1477 0.7736 ( 5030 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0802 -40.0802 -39.9301 -39.9301 -37.4955 -37.4955 -37.4288 -37.4288 4.8920 4.8920 5.0608 5.0608 5.7300 5.7300 6.1350 6.1350 6.4839 6.4839 9.3013 9.3013 9.7195 9.7195 13.8720 13.8720 14.9302 14.9302 15.1139 15.1139 k = 0.2674 0.1544 0.7736 ( 5030 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0801 -40.0801 -39.9302 -39.9302 -37.4945 -37.4945 -37.4298 -37.4298 4.8823 4.8823 5.0525 5.0525 5.7535 5.7535 6.1625 6.1625 6.4954 6.4954 9.3232 9.3232 9.6943 9.6943 13.7263 13.7263 14.9332 14.9332 15.1292 15.1292 k = 0.2791 0.1611 0.7736 ( 5026 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0801 -40.0801 -39.9302 -39.9302 -37.4935 -37.4935 -37.4309 -37.4309 4.8725 4.8725 5.0443 5.0443 5.7718 5.7718 6.1962 6.1962 6.5080 6.5080 9.3446 9.3446 9.6675 9.6675 13.5833 13.5833 14.9361 14.9361 15.1442 15.1442 k = 0.2907 0.1678 0.7736 ( 5022 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0801 -40.0801 -39.9302 -39.9302 -37.4925 -37.4925 -37.4319 -37.4319 4.8628 4.8628 5.0364 5.0364 5.7851 5.7851 6.2355 6.2355 6.5219 6.5219 9.3651 9.3651 9.6392 9.6392 13.4438 13.4438 14.9390 14.9390 15.1589 15.1589 k = 0.3023 0.1745 0.7736 ( 5022 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0801 -40.0801 -39.9302 -39.9302 -37.4914 -37.4914 -37.4330 -37.4330 4.8532 4.8532 5.0287 5.0287 5.7942 5.7942 6.2788 6.2788 6.5378 6.5378 9.3845 9.3845 9.6095 9.6095 13.3085 13.3085 14.9417 14.9417 15.1732 15.1732 k = 0.3140 0.1813 0.7736 ( 5018 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0801 -40.0801 -39.9303 -39.9303 -37.4904 -37.4904 -37.4341 -37.4341 4.8438 4.8438 5.0213 5.0213 5.7997 5.7997 6.3243 6.3243 6.5565 6.5565 9.4020 9.4020 9.5789 9.5789 13.1781 13.1781 14.9444 14.9444 15.1870 15.1870 k = 0.3256 0.1880 0.7736 ( 5022 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0801 -40.0801 -39.9303 -39.9303 -37.4893 -37.4893 -37.4352 -37.4352 4.8347 4.8347 5.0142 5.0142 5.8025 5.8025 6.3694 6.3694 6.5794 6.5794 9.4160 9.4160 9.5491 9.5491 13.0533 13.0533 14.9469 14.9469 15.2003 15.2003 k = 0.3372 0.1947 0.7736 ( 5034 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0801 -40.0801 -39.9303 -39.9303 -37.4882 -37.4882 -37.4363 -37.4363 4.8259 4.8259 5.0074 5.0074 5.8033 5.8033 6.4112 6.4112 6.6085 6.6085 9.4227 9.4227 9.5238 9.5238 12.9346 12.9346 14.9492 14.9492 15.2131 15.2131 k = 0.3488 0.2014 0.7736 ( 5032 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9304 -39.9304 -37.4871 -37.4871 -37.4374 -37.4374 4.8175 4.8175 5.0009 5.0009 5.8026 5.8026 6.4470 6.4470 6.6454 6.6454 9.4145 9.4145 9.5106 9.5106 12.8225 12.8225 14.9514 14.9514 15.2251 15.2251 k = 0.3605 0.2081 0.7736 ( 5036 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9304 -39.9304 -37.4861 -37.4861 -37.4385 -37.4385 4.8095 4.8095 4.9948 4.9948 5.8008 5.8008 6.4756 6.4756 6.6905 6.6905 9.3892 9.3892 9.5119 9.5119 12.7175 12.7175 14.9535 14.9535 15.2365 15.2365 k = 0.3721 0.2148 0.7736 ( 5036 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9304 -39.9304 -37.4850 -37.4850 -37.4396 -37.4396 4.8020 4.8020 4.9892 4.9892 5.7984 5.7984 6.4979 6.4979 6.7421 6.7421 9.3538 9.3538 9.5207 9.5207 12.6199 12.6199 14.9554 14.9554 15.2471 15.2471 k = 0.3837 0.2215 0.7736 ( 5044 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9304 -39.9304 -37.4840 -37.4840 -37.4407 -37.4407 4.7950 4.7950 4.9839 4.9839 5.7956 5.7956 6.5153 6.5153 6.7979 6.7979 9.3140 9.3140 9.5318 9.5318 12.5301 12.5301 14.9571 14.9571 15.2570 15.2570 k = 0.3953 0.2283 0.7736 ( 5044 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9305 -39.9305 -37.4830 -37.4830 -37.4417 -37.4417 4.7886 4.7886 4.9791 4.9791 5.7926 5.7926 6.5292 6.5292 6.8554 6.8554 9.2720 9.2720 9.5434 9.5434 12.4485 12.4485 14.9587 14.9587 15.2660 15.2660 k = 0.4070 0.2350 0.7736 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9305 -39.9305 -37.4821 -37.4821 -37.4427 -37.4427 4.7828 4.7828 4.9748 4.9748 5.7895 5.7895 6.5406 6.5406 6.9129 6.9129 9.2295 9.2295 9.5544 9.5544 12.3751 12.3751 14.9601 14.9601 15.2742 15.2742 k = 0.4186 0.2417 0.7736 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9305 -39.9305 -37.4812 -37.4812 -37.4436 -37.4436 4.7776 4.7776 4.9709 4.9709 5.7866 5.7866 6.5500 6.5500 6.9686 6.9686 9.1876 9.1876 9.5646 9.5646 12.3101 12.3101 14.9613 14.9613 15.2814 15.2814 k = 0.4302 0.2484 0.7736 ( 5056 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9305 -39.9305 -37.4804 -37.4804 -37.4444 -37.4444 4.7730 4.7730 4.9675 4.9675 5.7839 5.7839 6.5578 6.5578 7.0210 7.0210 9.1474 9.1474 9.5737 9.5737 12.2538 12.2538 14.9624 14.9624 15.2878 15.2878 k = 0.4419 0.2551 0.7736 ( 5056 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9305 -39.9305 -37.4796 -37.4796 -37.4452 -37.4452 4.7691 4.7691 4.9646 4.9646 5.7814 5.7814 6.5642 6.5642 7.0688 7.0688 9.1103 9.1103 9.5815 9.5815 12.2061 12.2061 14.9633 14.9633 15.2932 15.2932 k = 0.4535 0.2618 0.7736 ( 5048 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9305 -39.9305 -37.4790 -37.4790 -37.4458 -37.4458 4.7659 4.7659 4.9622 4.9622 5.7793 5.7793 6.5694 6.5694 7.1105 7.1105 9.0774 9.0774 9.5880 9.5880 12.1670 12.1670 14.9640 14.9640 15.2977 15.2977 k = 0.4651 0.2685 0.7736 ( 5048 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9305 -39.9305 -37.4785 -37.4785 -37.4463 -37.4463 4.7633 4.7633 4.9603 4.9603 5.7777 5.7777 6.5733 6.5733 7.1447 7.1447 9.0500 9.0500 9.5932 9.5932 12.1366 12.1366 14.9646 14.9646 15.3012 15.3012 k = 0.4767 0.2752 0.7736 ( 5056 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4781 -37.4781 -37.4467 -37.4467 4.7615 4.7615 4.9590 4.9590 5.7765 5.7765 6.5761 6.5761 7.1701 7.1701 9.0295 9.0295 9.5968 9.5968 12.1150 12.1150 14.9650 14.9650 15.3037 15.3037 k = 0.4884 0.2820 0.7736 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4779 -37.4779 -37.4470 -37.4470 4.7604 4.7604 4.9582 4.9582 5.7757 5.7757 6.5778 6.5778 7.1859 7.1859 9.0167 9.0167 9.5991 9.5991 12.1020 12.1020 14.9652 14.9652 15.3052 15.3052 k = 0.5000 0.2887 0.7736 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4778 -37.4778 -37.4471 -37.4471 4.7601 4.7601 4.9579 4.9579 5.7755 5.7755 6.5783 6.5783 7.1912 7.1912 9.0124 9.0124 9.5998 9.5998 12.0976 12.0976 14.9653 14.9653 15.3057 15.3057 k = 0.5000 0.2887 0.7736 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4778 -37.4778 -37.4471 -37.4471 4.7601 4.7601 4.9579 4.9579 5.7755 5.7755 6.5783 6.5783 7.1912 7.1912 9.0124 9.0124 9.5998 9.5998 12.0976 12.0976 14.9653 14.9653 15.3057 15.3057 k = 0.4933 0.3002 0.7736 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4778 -37.4778 -37.4471 -37.4471 4.7601 4.7601 4.9577 4.9577 5.7763 5.7763 6.5773 6.5773 7.1911 7.1911 9.0153 9.0153 9.6003 9.6003 12.0957 12.0957 14.9652 14.9652 15.3039 15.3039 k = 0.4867 0.3118 0.7736 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4777 -37.4777 -37.4472 -37.4472 4.7601 4.7601 4.9571 4.9571 5.7787 5.7787 6.5741 6.5741 7.1910 7.1910 9.0241 9.0241 9.6016 9.6016 12.0900 12.0900 14.9649 14.9649 15.2988 15.2988 k = 0.4800 0.3233 0.7736 ( 5056 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4775 -37.4775 -37.4473 -37.4473 4.7601 4.7601 4.9560 4.9560 5.7828 5.7828 6.5689 6.5689 7.1908 7.1908 9.0388 9.0388 9.6037 9.6037 12.0803 12.0803 14.9643 14.9643 15.2903 15.2903 k = 0.4733 0.3349 0.7736 ( 5056 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4774 -37.4774 -37.4475 -37.4475 4.7602 4.7602 4.9545 4.9545 5.7885 5.7885 6.5618 6.5618 7.1906 7.1906 9.0591 9.0591 9.6067 9.6067 12.0664 12.0664 14.9630 14.9630 15.2747 15.2747 k = 0.4667 0.3464 0.7736 ( 5048 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4771 -37.4771 -37.4477 -37.4477 4.7602 4.7602 4.9527 4.9527 5.7957 5.7957 6.5529 6.5529 7.1903 7.1903 9.0850 9.0850 9.6106 9.6106 12.0482 12.0482 14.9599 14.9599 15.1342 15.1342 k = 0.4600 0.3580 0.7736 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4768 -37.4768 -37.4480 -37.4480 4.7603 4.7603 4.9505 4.9505 5.8043 5.8043 6.5423 6.5423 7.1900 7.1900 9.1162 9.1162 9.6152 9.6152 12.0252 12.0252 14.9391 14.9391 15.0047 15.0047 k = 0.4533 0.3695 0.7736 ( 5048 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4765 -37.4765 -37.4484 -37.4484 4.7603 4.7603 4.9479 4.9479 5.8143 5.8143 6.5303 6.5303 7.1897 7.1897 9.1525 9.1525 9.6207 9.6207 11.9972 11.9972 14.8213 14.8213 14.9724 14.9724 k = 0.4467 0.3811 0.7736 ( 5048 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4761 -37.4761 -37.4488 -37.4488 4.7604 4.7604 4.9451 4.9451 5.8257 5.8257 6.5170 6.5170 7.1894 7.1894 9.1937 9.1937 9.6269 9.6269 11.9637 11.9637 14.6786 14.6786 14.9682 14.9682 k = 0.4400 0.3926 0.7736 ( 5048 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4756 -37.4756 -37.4492 -37.4492 4.7605 4.7605 4.9419 4.9419 5.8382 5.8382 6.5028 6.5028 7.1892 7.1892 9.2394 9.2394 9.6339 9.6339 11.9243 11.9243 14.5389 14.5389 14.9664 14.9664 k = 0.4333 0.4041 0.7736 ( 5054 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4751 -37.4751 -37.4497 -37.4497 4.7606 4.7606 4.9386 4.9386 5.8517 5.8517 6.4877 6.4877 7.1891 7.1891 9.2892 9.2892 9.6419 9.6419 11.8784 11.8784 14.4057 14.4057 14.9650 14.9650 k = 0.4267 0.4157 0.7736 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4746 -37.4746 -37.4503 -37.4503 4.7607 4.7607 4.9350 4.9350 5.8661 5.8661 6.4721 6.4721 7.1891 7.1891 9.3427 9.3427 9.6510 9.6510 11.8259 11.8259 14.2805 14.2805 14.9638 14.9638 k = 0.4200 0.4272 0.7736 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4740 -37.4740 -37.4509 -37.4509 4.7608 4.7608 4.9314 4.9314 5.8812 5.8812 6.4563 6.4563 7.1893 7.1893 9.3991 9.3991 9.6616 9.6616 11.7663 11.7663 14.1646 14.1646 14.9625 14.9625 k = 0.4133 0.4388 0.7736 ( 5056 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4733 -37.4733 -37.4516 -37.4516 4.7608 4.7608 4.9277 4.9277 5.8968 5.8968 6.4404 6.4404 7.1896 7.1896 9.4570 9.4570 9.6748 9.6748 11.6995 11.6995 14.0585 14.0585 14.9612 14.9612 k = 0.4067 0.4503 0.7736 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4727 -37.4727 -37.4522 -37.4522 4.7609 4.7609 4.9239 4.9239 5.9126 5.9126 6.4247 6.4247 7.1902 7.1902 9.5140 9.5140 9.6929 9.6929 11.6256 11.6256 13.9628 13.9628 14.9596 14.9596 k = 0.4000 0.4619 0.7736 ( 5040 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4719 -37.4719 -37.4530 -37.4530 4.7609 4.7609 4.9202 4.9202 5.9283 5.9283 6.4095 6.4095 7.1909 7.1909 9.5651 9.5651 9.7204 9.7204 11.5449 11.5449 13.8777 13.8777 14.9578 14.9578 k = 0.3933 0.4734 0.7736 ( 5036 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4712 -37.4712 -37.4537 -37.4537 4.7609 4.7609 4.9166 4.9166 5.9438 5.9438 6.3950 6.3950 7.1919 7.1919 9.6044 9.6044 9.7630 9.7630 11.4577 11.4577 13.8031 13.8031 14.9557 14.9557 k = 0.3867 0.4850 0.7736 ( 5044 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9306 -39.9306 -37.4703 -37.4703 -37.4546 -37.4546 4.7609 4.7609 4.9132 4.9132 5.9586 5.9586 6.3816 6.3816 7.1931 7.1931 9.6303 9.6303 9.8221 9.8221 11.3649 11.3649 13.7386 13.7386 14.9532 14.9532 k = 0.3800 0.4965 0.7736 ( 5036 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9306 -39.9306 -37.4695 -37.4695 -37.4554 -37.4554 4.7608 4.7608 4.9100 4.9100 5.9725 5.9725 6.3694 6.3694 7.1945 7.1945 9.6470 9.6470 9.8932 9.8932 11.2672 11.2672 13.6840 13.6840 14.9502 14.9502 k = 0.3733 0.5081 0.7736 ( 5044 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4686 -37.4686 -37.4563 -37.4563 4.7608 4.7608 4.9071 4.9071 5.9850 5.9850 6.3586 6.3586 7.1961 7.1961 9.6586 9.6586 9.9720 9.9720 11.1656 11.1656 13.6385 13.6385 14.9469 14.9469 k = 0.3667 0.5196 0.7736 ( 5036 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4676 -37.4676 -37.4573 -37.4573 4.7607 4.7607 4.9045 4.9045 5.9960 5.9960 6.3496 6.3496 7.1978 7.1978 9.6671 9.6671 10.0562 10.0562 11.0612 11.0612 13.6015 13.6015 14.9433 14.9433 k = 0.3600 0.5312 0.7736 ( 5036 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4667 -37.4667 -37.4583 -37.4583 4.7605 4.7605 4.9023 4.9023 6.0050 6.0050 6.3424 6.3424 7.1995 7.1995 9.6734 9.6734 10.1447 10.1447 10.9549 10.9549 13.5725 13.5725 14.9397 14.9397 k = 0.3533 0.5427 0.7736 ( 5028 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4657 -37.4657 -37.4593 -37.4593 4.7604 4.7604 4.9006 4.9006 6.0120 6.0120 6.3372 6.3372 7.2012 7.2012 9.6782 9.6782 10.2367 10.2367 10.8478 10.8478 13.5508 13.5508 14.9365 14.9365 k = 0.3467 0.5543 0.7736 ( 5024 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4646 -37.4646 -37.4603 -37.4603 4.7603 4.7603 4.8993 4.8993 6.0168 6.0168 6.3337 6.3337 7.2026 7.2026 9.6815 9.6815 10.3319 10.3319 10.7410 10.7410 13.5359 13.5359 14.9341 14.9341 k = 0.3400 0.5658 0.7736 ( 5030 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4636 -37.4636 -37.4614 -37.4614 4.7602 4.7602 4.8985 4.8985 6.0196 6.0196 6.3318 6.3318 7.2037 7.2037 9.6835 9.6835 10.4298 10.4298 10.6356 10.6356 13.5272 13.5272 14.9325 14.9325 k = 0.3333 0.5774 0.7736 ( 5034 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4625 -37.4625 -37.4625 -37.4625 4.7601 4.7601 4.8982 4.8982 6.0204 6.0204 6.3313 6.3313 7.2041 7.2041 9.6841 9.6841 10.5201 10.5201 10.5426 10.5426 13.5244 13.5244 14.9320 14.9320 k = 0.3333 0.5774 0.7736 ( 5034 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4625 -37.4625 -37.4625 -37.4625 4.7601 4.7601 4.8982 4.8982 6.0204 6.0204 6.3313 6.3313 7.2041 7.2041 9.6841 9.6841 10.5201 10.5201 10.5426 10.5426 13.5244 13.5244 14.9320 14.9320 k = 0.3267 0.5658 0.7736 ( 5026 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4636 -37.4636 -37.4613 -37.4613 4.7602 4.7602 4.8985 4.8985 6.0197 6.0197 6.3317 6.3317 7.2036 7.2036 9.6835 9.6835 10.4301 10.4301 10.6355 10.6355 13.5271 13.5271 14.9325 14.9325 k = 0.3200 0.5543 0.7736 ( 5018 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4647 -37.4647 -37.4602 -37.4602 4.7604 4.7604 4.8993 4.8993 6.0176 6.0176 6.3326 6.3326 7.2018 7.2018 9.6814 9.6814 10.3336 10.3336 10.7412 10.7412 13.5350 13.5350 14.9338 14.9338 k = 0.3133 0.5427 0.7736 ( 5026 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4659 -37.4659 -37.4590 -37.4590 4.7607 4.7607 4.9006 4.9006 6.0145 6.0145 6.3337 6.3337 7.1985 7.1985 9.6780 9.6780 10.2416 10.2416 10.8494 10.8494 13.5480 13.5480 14.9358 14.9358 k = 0.3067 0.5312 0.7736 ( 5026 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4671 -37.4671 -37.4578 -37.4578 4.7613 4.7613 4.9025 4.9025 6.0107 6.0107 6.3345 6.3345 7.1931 7.1931 9.6730 9.6730 10.1550 10.1550 10.9600 10.9600 13.5658 13.5658 14.9381 14.9381 k = 0.3000 0.5196 0.7736 ( 5026 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4683 -37.4683 -37.4566 -37.4566 4.7621 4.7621 4.9049 4.9049 6.0064 6.0064 6.3348 6.3348 7.1854 7.1854 9.6665 9.6665 10.0744 10.0744 11.0729 11.0729 13.5884 13.5884 14.9405 14.9405 k = 0.2933 0.5081 0.7736 ( 5026 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9306 -39.9306 -37.4695 -37.4695 -37.4554 -37.4554 4.7632 4.7632 4.9078 4.9078 6.0020 6.0020 6.3342 6.3342 7.1749 7.1749 9.6584 9.6584 10.0006 10.0006 11.1878 11.1878 13.6156 13.6156 14.9427 14.9427 k = 0.2867 0.4965 0.7736 ( 5034 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9306 -39.9306 -37.4707 -37.4707 -37.4542 -37.4542 4.7647 4.7647 4.9112 4.9112 5.9975 5.9975 6.3325 6.3325 7.1613 7.1613 9.6485 9.6485 9.9341 9.9341 11.3048 11.3048 13.6475 13.6475 14.9446 14.9446 k = 0.2800 0.4850 0.7736 ( 5034 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4720 -37.4720 -37.4529 -37.4529 4.7665 4.7665 4.9150 4.9150 5.9932 5.9932 6.3297 6.3297 7.1444 7.1444 9.6367 9.6367 9.8753 9.8753 11.4238 11.4238 13.6841 13.6841 14.9460 14.9460 k = 0.2733 0.4734 0.7736 ( 5034 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4732 -37.4732 -37.4516 -37.4516 4.7687 4.7687 4.9193 4.9193 5.9891 5.9891 6.3254 6.3254 7.1239 7.1239 9.6232 9.6232 9.8246 9.8246 11.5447 11.5447 13.7253 13.7253 14.9471 14.9471 k = 0.2667 0.4619 0.7736 ( 5038 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4745 -37.4745 -37.4504 -37.4504 4.7714 4.7714 4.9241 4.9241 5.9852 5.9852 6.3197 6.3197 7.0997 7.0997 9.6082 9.6082 9.7816 9.7816 11.6674 11.6674 13.7713 13.7713 14.9478 14.9478 k = 0.2600 0.4503 0.7736 ( 5042 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4758 -37.4758 -37.4491 -37.4491 4.7745 4.7745 4.9292 4.9292 5.9818 5.9818 6.3124 6.3124 7.0719 7.0719 9.5923 9.5923 9.7460 9.7460 11.7919 11.7919 13.8220 13.8220 14.9482 14.9482 k = 0.2533 0.4388 0.7736 ( 5038 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4770 -37.4770 -37.4478 -37.4478 4.7781 4.7781 4.9347 4.9347 5.9787 5.9787 6.3034 6.3034 7.0408 7.0408 9.5763 9.5763 9.7166 9.7166 11.9181 11.9181 13.8776 13.8776 14.9483 14.9483 k = 0.2467 0.4272 0.7736 ( 5034 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9305 -39.9305 -37.4783 -37.4783 -37.4465 -37.4465 4.7822 4.7822 4.9406 4.9406 5.9760 5.9760 6.2927 6.2927 7.0066 7.0066 9.5610 9.5610 9.6923 9.6923 12.0460 12.0460 13.9382 13.9382 14.9482 14.9482 k = 0.2400 0.4157 0.7736 ( 5026 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9305 -39.9305 -37.4795 -37.4795 -37.4452 -37.4452 4.7869 4.7869 4.9469 4.9469 5.9736 5.9736 6.2800 6.2800 6.9698 6.9698 9.5471 9.5471 9.6723 9.6723 12.1753 12.1753 14.0038 14.0038 14.9479 14.9479 k = 0.2333 0.4041 0.7736 ( 5034 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9305 -39.9305 -37.4808 -37.4808 -37.4440 -37.4440 4.7920 4.7920 4.9535 4.9535 5.9715 5.9715 6.2655 6.2655 6.9310 6.9310 9.5344 9.5344 9.6561 9.6561 12.3062 12.3062 14.0744 14.0744 14.9474 14.9474 k = 0.2267 0.3926 0.7736 ( 5030 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9305 -39.9305 -37.4820 -37.4820 -37.4427 -37.4427 4.7976 4.7976 4.9603 4.9603 5.9696 5.9696 6.2489 6.2489 6.8909 6.8909 9.5227 9.5227 9.6435 9.6435 12.4384 12.4384 14.1503 14.1503 14.9468 14.9468 k = 0.2200 0.3811 0.7736 ( 5026 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9305 -39.9305 -37.4832 -37.4832 -37.4414 -37.4414 4.8037 4.8037 4.9675 4.9675 5.9676 5.9676 6.2303 6.2303 6.8500 6.8500 9.5109 9.5109 9.6350 9.6350 12.5719 12.5719 14.2313 14.2313 14.9460 14.9460 k = 0.2133 0.3695 0.7736 ( 5022 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9304 -39.9304 -37.4845 -37.4845 -37.4402 -37.4402 4.8103 4.8103 4.9750 4.9750 5.9654 5.9654 6.2098 6.2098 6.8093 6.8093 9.4983 9.4983 9.6308 9.6308 12.7065 12.7065 14.3177 14.3177 14.9451 14.9451 k = 0.2067 0.3580 0.7736 ( 5026 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9304 -39.9304 -37.4857 -37.4857 -37.4390 -37.4390 4.8173 4.8173 4.9827 4.9827 5.9626 5.9626 6.1874 6.1874 6.7693 6.7693 9.4841 9.4841 9.6310 9.6310 12.8422 12.8422 14.4094 14.4094 14.9441 14.9441 k = 0.2000 0.3464 0.7736 ( 5030 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0800 -40.0800 -39.9304 -39.9304 -37.4869 -37.4869 -37.4377 -37.4377 4.8248 4.8248 4.9906 4.9906 5.9585 5.9585 6.1638 6.1638 6.7308 6.7308 9.4682 9.4682 9.6354 9.6354 12.9788 12.9788 14.5064 14.5064 14.9431 14.9431 k = 0.1933 0.3349 0.7736 ( 5026 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0801 -40.0801 -39.9303 -39.9303 -37.4880 -37.4880 -37.4365 -37.4365 4.8327 4.8327 4.9987 4.9987 5.9524 5.9524 6.1397 6.1397 6.6942 6.6942 9.4507 9.4507 9.6434 9.6434 13.1161 13.1161 14.6085 14.6085 14.9422 14.9422 k = 0.1867 0.3233 0.7736 ( 5026 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0801 -40.0801 -39.9303 -39.9303 -37.4892 -37.4892 -37.4353 -37.4353 4.8409 4.8409 5.0070 5.0070 5.9428 5.9428 6.1165 6.1165 6.6600 6.6600 9.4317 9.4317 9.6542 9.6542 13.2540 13.2540 14.7155 14.7155 14.9417 14.9417 k = 0.1800 0.3118 0.7736 ( 5028 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0801 -40.0801 -39.9303 -39.9303 -37.4903 -37.4903 -37.4342 -37.4342 4.8495 4.8495 5.0155 5.0155 5.9282 5.9282 6.0959 6.0959 6.6284 6.6284 9.4117 9.4117 9.6672 9.6672 13.3923 13.3923 14.8254 14.8254 14.9434 14.9434 k = 0.1733 0.3002 0.7736 ( 5024 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0801 -40.0801 -39.9302 -39.9302 -37.4914 -37.4914 -37.4330 -37.4330 4.8583 4.8583 5.0242 5.0242 5.9073 5.9073 6.0796 6.0796 6.5996 6.5996 9.3907 9.3907 9.6818 9.6818 13.5307 13.5307 14.9135 14.9135 14.9720 14.9720 k = 0.1667 0.2887 0.7736 ( 5020 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0801 -40.0801 -39.9302 -39.9302 -37.4925 -37.4925 -37.4319 -37.4319 4.8674 4.8674 5.0329 5.0329 5.8798 5.8798 6.0681 6.0681 6.5735 6.5735 9.3691 9.3691 9.6976 9.6976 13.6691 13.6691 14.9270 14.9270 15.0771 15.0771 k = 0.1600 0.2771 0.7736 ( 5020 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0801 -40.0801 -39.9302 -39.9302 -37.4936 -37.4936 -37.4308 -37.4308 4.8766 4.8766 5.0418 5.0418 5.8466 5.8466 6.0609 6.0609 6.5500 6.5500 9.3469 9.3469 9.7142 9.7142 13.8070 13.8070 14.9273 14.9273 15.1121 15.1121 k = 0.1533 0.2656 0.7736 ( 5022 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0802 -40.0802 -39.9301 -39.9301 -37.4946 -37.4946 -37.4297 -37.4297 4.8859 4.8859 5.0507 5.0507 5.8093 5.8093 6.0571 6.0571 6.5290 6.5290 9.3243 9.3243 9.7312 9.7312 13.9442 13.9442 14.9260 14.9260 15.1046 15.1046 k = 0.1467 0.2540 0.7736 ( 5020 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0802 -40.0802 -39.9301 -39.9301 -37.4956 -37.4956 -37.4287 -37.4287 4.8952 4.8952 5.0597 5.0597 5.7693 5.7693 6.0554 6.0554 6.5102 6.5102 9.3015 9.3015 9.7484 9.7484 14.0803 14.0803 14.9241 14.9241 15.0948 15.0948 k = 0.1400 0.2425 0.7736 ( 5014 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0802 -40.0802 -39.9301 -39.9301 -37.4966 -37.4966 -37.4277 -37.4277 4.9045 4.9045 5.0687 5.0687 5.7278 5.7278 6.0552 6.0552 6.4936 6.4936 9.2786 9.2786 9.7655 9.7655 14.2148 14.2148 14.9220 14.9220 15.0838 15.0838 k = 0.1333 0.2309 0.7736 ( 5014 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0802 -40.0802 -39.9300 -39.9300 -37.4975 -37.4975 -37.4267 -37.4267 4.9137 4.9137 5.0777 5.0777 5.6856 5.6856 6.0560 6.0560 6.4789 6.4789 9.2556 9.2556 9.7823 9.7823 14.3472 14.3472 14.9196 14.9196 15.0717 15.0717 k = 0.1267 0.2194 0.7736 ( 5014 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0802 -40.0802 -39.9300 -39.9300 -37.4984 -37.4984 -37.4258 -37.4258 4.9226 4.9226 5.0866 5.0866 5.6436 5.6436 6.0574 6.0574 6.4659 6.4659 9.2328 9.2328 9.7987 9.7987 14.4769 14.4769 14.9172 14.9172 15.0590 15.0590 k = 0.1200 0.2078 0.7736 ( 5014 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0802 -40.0802 -39.9300 -39.9300 -37.4992 -37.4992 -37.4249 -37.4249 4.9312 4.9312 5.0956 5.0956 5.6022 5.6022 6.0590 6.0590 6.4545 6.4545 9.2102 9.2102 9.8146 9.8146 14.6032 14.6032 14.9147 14.9147 15.0457 15.0457 k = 0.1133 0.1963 0.7736 ( 5010 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0803 -40.0803 -39.9300 -39.9300 -37.5000 -37.5000 -37.4240 -37.4240 4.9394 4.9394 5.1044 5.1044 5.5619 5.5619 6.0609 6.0609 6.4446 6.4446 9.1880 9.1880 9.8298 9.8298 14.7253 14.7253 14.9123 14.9123 15.0321 15.0321 k = 0.1067 0.1848 0.7736 ( 5006 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0803 -40.0803 -39.9299 -39.9299 -37.5008 -37.5008 -37.4232 -37.4232 4.9470 4.9470 5.1131 5.1131 5.5231 5.5231 6.0627 6.0627 6.4360 6.4360 9.1663 9.1663 9.8443 9.8443 14.8419 14.8419 14.9104 14.9104 15.0186 15.0186 k = 0.1000 0.1732 0.7736 ( 5010 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0803 -40.0803 -39.9299 -39.9299 -37.5016 -37.5016 -37.4225 -37.4225 4.9541 4.9541 5.1216 5.1216 5.4861 5.4861 6.0644 6.0644 6.4287 6.4287 9.1451 9.1451 9.8581 9.8581 14.9052 14.9052 14.9550 14.9550 15.0060 15.0060 k = 0.0933 0.1617 0.7736 ( 5006 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0803 -40.0803 -39.9299 -39.9299 -37.5023 -37.5023 -37.4217 -37.4217 4.9605 4.9605 5.1300 5.1300 5.4513 5.4513 6.0660 6.0660 6.4224 6.4224 9.1246 9.1246 9.8710 9.8710 14.9036 14.9036 14.9896 14.9896 15.0621 15.0621 k = 0.0867 0.1501 0.7736 ( 4998 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0803 -40.0803 -39.9298 -39.9298 -37.5029 -37.5029 -37.4210 -37.4210 4.9661 4.9661 5.1380 5.1380 5.4187 5.4187 6.0674 6.0674 6.4172 6.4172 9.1050 9.1050 9.8830 9.8830 14.9013 14.9013 14.9770 14.9770 15.1591 15.1591 k = 0.0800 0.1386 0.7736 ( 5002 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0803 -40.0803 -39.9298 -39.9298 -37.5035 -37.5035 -37.4204 -37.4204 4.9708 4.9708 5.1458 5.1458 5.3887 5.3887 6.0686 6.0686 6.4129 6.4129 9.0862 9.0862 9.8942 9.8942 14.8989 14.8989 14.9644 14.9644 15.2488 15.2488 k = 0.0733 0.1270 0.7736 ( 4998 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0803 -40.0803 -39.9298 -39.9298 -37.5041 -37.5041 -37.4198 -37.4198 4.9747 4.9747 5.1532 5.1532 5.3613 5.3613 6.0696 6.0696 6.4094 6.4094 9.0685 9.0685 9.9045 9.9045 14.8966 14.8966 14.9524 14.9524 15.3299 15.3299 k = 0.0667 0.1155 0.7736 ( 4998 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0803 -40.0803 -39.9298 -39.9298 -37.5046 -37.5046 -37.4192 -37.4192 4.9775 4.9775 5.1602 5.1602 5.3367 5.3367 6.0704 6.0704 6.4066 6.4066 9.0519 9.0519 9.9139 9.9139 14.8943 14.8943 14.9410 14.9410 15.4022 15.4022 k = 0.0600 0.1039 0.7736 ( 5002 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5051 -37.5051 -37.4188 -37.4188 4.9794 4.9794 5.1668 5.1668 5.3150 5.3150 6.0710 6.0710 6.4044 6.4044 9.0366 9.0366 9.9224 9.9224 14.8922 14.8922 14.9304 14.9304 15.4653 15.4653 k = 0.0533 0.0924 0.7736 ( 5002 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5055 -37.5055 -37.4183 -37.4183 4.9804 4.9804 5.1728 5.1728 5.2962 5.2962 6.0714 6.0714 6.4027 6.4027 9.0225 9.0225 9.9300 9.9300 14.8903 14.8903 14.9207 14.9207 15.5196 15.5196 k = 0.0467 0.0808 0.7736 ( 5002 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5059 -37.5059 -37.4179 -37.4179 4.9806 4.9806 5.1783 5.1783 5.2801 5.2801 6.0717 6.0717 6.4015 6.4015 9.0100 9.0100 9.9367 9.9367 14.8885 14.8885 14.9119 14.9119 15.5653 15.5653 k = 0.0400 0.0693 0.7736 ( 5008 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5062 -37.5062 -37.4176 -37.4176 4.9802 4.9802 5.1831 5.1831 5.2668 5.2668 6.0718 6.0718 6.4006 6.4006 8.9989 8.9989 9.9425 9.9425 14.8870 14.8870 14.9042 14.9042 15.6030 15.6030 k = 0.0333 0.0577 0.7736 ( 5008 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5065 -37.5065 -37.4173 -37.4173 4.9793 4.9793 5.1873 5.1873 5.2560 5.2560 6.0719 6.0719 6.4000 6.4000 8.9893 8.9893 9.9474 9.9474 14.8856 14.8856 14.8976 14.8976 15.6333 15.6333 k = 0.0267 0.0462 0.7736 ( 5008 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5067 -37.5067 -37.4170 -37.4170 4.9781 4.9781 5.1907 5.1907 5.2475 5.2475 6.0719 6.0719 6.3995 6.3995 8.9815 8.9815 9.9513 9.9513 14.8845 14.8845 14.8922 14.8922 15.6570 15.6570 k = 0.0200 0.0346 0.7736 ( 5004 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5069 -37.5069 -37.4169 -37.4169 4.9769 4.9769 5.1934 5.1934 5.2412 5.2412 6.0719 6.0719 6.3993 6.3993 8.9753 8.9753 9.9544 9.9544 14.8836 14.8836 14.8879 14.8879 15.6746 15.6746 k = 0.0133 0.0231 0.7736 ( 5004 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9297 -39.9297 -37.5070 -37.5070 -37.4167 -37.4167 4.9759 4.9759 5.1954 5.1954 5.2369 5.2369 6.0719 6.0719 6.3991 6.3991 8.9708 8.9708 9.9566 9.9566 14.8829 14.8829 14.8848 14.8848 15.6868 15.6868 k = 0.0067 0.0115 0.7736 ( 5012 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9296 -39.9296 -37.5071 -37.5071 -37.4167 -37.4167 4.9753 4.9753 5.1965 5.1965 5.2344 5.2344 6.0719 6.0719 6.3990 6.3990 8.9682 8.9682 9.9580 9.9580 14.8825 14.8825 14.8830 14.8830 15.6939 15.6939 k = 0.0000 0.0000 0.7736 ( 4984 PWs) bands (ev): -75.6082 -75.6082 -44.4686 -44.4686 -40.0804 -40.0804 -39.9296 -39.9296 -37.5071 -37.5071 -37.4166 -37.4166 4.9751 4.9751 5.1969 5.1969 5.2335 5.2335 6.0719 6.0719 6.3990 6.3990 8.9673 8.9673 9.9584 9.9584 14.8822 14.8822 14.8826 14.8826 15.6963 15.6963 k = 0.5000 0.2887 0.7736 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0799 -40.0799 -39.9306 -39.9306 -37.4778 -37.4778 -37.4471 -37.4471 4.7601 4.7601 4.9579 4.9579 5.7755 5.7755 6.5783 6.5783 7.1912 7.1912 9.0124 9.0124 9.5998 9.5998 12.0976 12.0976 14.9653 14.9653 15.3057 15.3057 k = 0.5000 0.2887 0.7602 ( 5052 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0798 -40.0798 -39.9306 -39.9306 -37.4778 -37.4778 -37.4471 -37.4471 4.7609 4.7609 4.9589 4.9589 5.7749 5.7749 6.5780 6.5780 7.1901 7.1901 9.0110 9.0110 9.5881 9.5881 12.1100 12.1100 14.9677 14.9677 15.2323 15.2323 k = 0.5000 0.2887 0.7469 ( 5060 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0795 -40.0795 -39.9306 -39.9306 -37.4778 -37.4778 -37.4471 -37.4471 4.7635 4.7635 4.9619 4.9619 5.7731 5.7731 6.5770 6.5770 7.1869 7.1869 9.0068 9.0068 9.5535 9.5535 12.1465 12.1465 14.9736 14.9736 15.0925 15.0925 k = 0.5000 0.2887 0.7336 ( 5056 PWs) bands (ev): -75.6083 -75.6083 -44.4685 -44.4685 -40.0789 -40.0789 -39.9307 -39.9307 -37.4779 -37.4779 -37.4472 -37.4472 4.7678 4.7678 4.9668 4.9668 5.7702 5.7702 6.5753 6.5753 7.1814 7.1814 8.9997 8.9997 9.4983 9.4983 12.2050 12.2050 14.9232 14.9232 14.9999 14.9999 k = 0.5000 0.2887 0.7202 ( 5056 PWs) bands (ev): -75.6084 -75.6084 -44.4682 -44.4682 -40.0781 -40.0781 -39.9309 -39.9309 -37.4780 -37.4780 -37.4473 -37.4473 4.7738 4.7738 4.9736 4.9736 5.7662 5.7662 6.5730 6.5730 7.1738 7.1738 8.9896 8.9896 9.4253 9.4253 12.2828 12.2828 14.7683 14.7683 15.0139 15.0139 k = 0.5000 0.2887 0.7069 ( 5040 PWs) bands (ev): -75.6086 -75.6086 -44.4678 -44.4678 -40.0771 -40.0771 -39.9310 -39.9310 -37.4781 -37.4781 -37.4474 -37.4474 4.7815 4.7815 4.9824 4.9824 5.7610 5.7610 6.5700 6.5700 7.1641 7.1641 8.9761 8.9761 9.3382 9.3382 12.3769 12.3769 14.6087 14.6087 15.0380 15.0380 k = 0.5000 0.2887 0.6936 ( 5032 PWs) bands (ev): -75.6087 -75.6087 -44.4674 -44.4674 -40.0759 -40.0759 -39.9312 -39.9312 -37.4783 -37.4783 -37.4476 -37.4476 4.7909 4.7909 4.9932 4.9932 5.7547 5.7547 6.5664 6.5664 7.1521 7.1521 8.9583 8.9583 9.2407 9.2407 12.4843 12.4843 14.4495 14.4495 15.0680 15.0680 k = 0.5000 0.2887 0.6802 ( 5036 PWs) bands (ev): -75.6089 -75.6089 -44.4668 -44.4668 -40.0744 -40.0744 -39.9315 -39.9315 -37.4785 -37.4785 -37.4478 -37.4478 4.8019 4.8019 5.0058 5.0058 5.7473 5.7473 6.5621 6.5621 7.1379 7.1379 8.9337 8.9337 9.1383 9.1383 12.6024 12.6024 14.2916 14.2916 15.1036 15.1036 k = 0.5000 0.2887 0.6669 ( 5032 PWs) bands (ev): -75.6091 -75.6091 -44.4662 -44.4662 -40.0727 -40.0727 -39.9318 -39.9318 -37.4787 -37.4787 -37.4480 -37.4480 4.8147 4.8147 5.0203 5.0203 5.7388 5.7388 6.5572 6.5572 7.1214 7.1214 8.8940 8.8940 9.0416 9.0416 12.7288 12.7288 14.1354 14.1354 15.1444 15.1444 k = 0.5000 0.2887 0.6535 ( 5032 PWs) bands (ev): -75.6094 -75.6094 -44.4656 -44.4656 -40.0708 -40.0708 -39.9321 -39.9321 -37.4789 -37.4789 -37.4482 -37.4482 4.8290 4.8290 5.0366 5.0366 5.7293 5.7293 6.5517 6.5517 7.1026 7.1026 8.8211 8.8211 8.9708 8.9708 12.8617 12.8617 13.9811 13.9811 15.1905 15.1905 k = 0.5000 0.2887 0.6402 ( 5032 PWs) bands (ev): -75.6096 -75.6096 -44.4648 -44.4648 -40.0688 -40.0688 -39.9324 -39.9324 -37.4792 -37.4792 -37.4485 -37.4485 4.8449 4.8449 5.0547 5.0547 5.7188 5.7188 6.5456 6.5456 7.0813 7.0813 8.7151 8.7151 8.9275 8.9275 12.9995 12.9995 13.8287 13.8287 15.2418 15.2418 k = 0.5000 0.2887 0.6269 ( 5034 PWs) bands (ev): -75.6099 -75.6099 -44.4640 -44.4640 -40.0665 -40.0665 -39.9328 -39.9328 -37.4795 -37.4795 -37.4488 -37.4488 4.8625 4.8625 5.0746 5.0746 5.7074 5.7074 6.5390 6.5390 7.0575 7.0575 8.5945 8.5945 8.8947 8.8947 13.1408 13.1408 13.6784 13.6784 15.2980 15.2980 k = 0.5000 0.2887 0.6135 ( 5026 PWs) bands (ev): -75.6103 -75.6103 -44.4631 -44.4631 -40.0640 -40.0640 -39.9332 -39.9332 -37.4798 -37.4798 -37.4491 -37.4491 4.8816 4.8816 5.0961 5.0961 5.6951 5.6951 6.5318 6.5318 7.0310 7.0310 8.4688 8.4688 8.8646 8.8646 13.2845 13.2845 13.5301 13.5301 15.3591 15.3591 k = 0.5000 0.2887 0.6002 ( 5032 PWs) bands (ev): -75.6106 -75.6106 -44.4622 -44.4622 -40.0613 -40.0613 -39.9337 -39.9337 -37.4802 -37.4802 -37.4495 -37.4495 4.9022 4.9022 5.1192 5.1192 5.6821 5.6821 6.5242 6.5242 7.0014 7.0014 8.3415 8.3415 8.8346 8.8346 13.3830 13.3830 13.4303 13.4303 15.4249 15.4249 k = 0.5000 0.2887 0.5869 ( 5032 PWs) bands (ev): -75.6110 -75.6110 -44.4612 -44.4612 -40.0585 -40.0585 -39.9342 -39.9342 -37.4805 -37.4805 -37.4499 -37.4499 4.9243 4.9243 5.1438 5.1438 5.6683 5.6683 6.5160 6.5160 6.9685 6.9685 8.2148 8.2148 8.8039 8.8039 13.2394 13.2394 13.5752 13.5752 15.4954 15.4954 k = 0.5000 0.2887 0.5735 ( 5036 PWs) bands (ev): -75.6114 -75.6114 -44.4601 -44.4601 -40.0555 -40.0555 -39.9347 -39.9347 -37.4809 -37.4809 -37.4503 -37.4503 4.9478 4.9478 5.1697 5.1697 5.6541 5.6541 6.5073 6.5073 6.9319 6.9319 8.0901 8.0901 8.7722 8.7722 13.0973 13.0973 13.7200 13.7200 15.5705 15.5705 k = 0.5000 0.2887 0.5602 ( 5030 PWs) bands (ev): -75.6118 -75.6118 -44.4590 -44.4590 -40.0523 -40.0523 -39.9352 -39.9352 -37.4813 -37.4813 -37.4507 -37.4507 4.9728 4.9728 5.1966 5.1966 5.6395 5.6395 6.4982 6.4982 6.8910 6.8910 7.9689 7.9689 8.7394 8.7394 12.9572 12.9572 13.8633 13.8633 15.6500 15.6500 k = 0.5000 0.2887 0.5468 ( 5032 PWs) bands (ev): -75.6122 -75.6122 -44.4578 -44.4578 -40.0489 -40.0489 -39.9358 -39.9358 -37.4817 -37.4817 -37.4511 -37.4511 4.9991 4.9991 5.2243 5.2243 5.6249 5.6249 6.4887 6.4887 6.8453 6.8453 7.8524 7.8524 8.7055 8.7055 12.8192 12.8192 14.0041 14.0041 15.7339 15.7339 k = 0.5000 0.2887 0.5335 ( 5028 PWs) bands (ev): -75.6126 -75.6126 -44.4566 -44.4566 -40.0455 -40.0455 -39.9363 -39.9363 -37.4822 -37.4822 -37.4516 -37.4516 5.0268 5.0268 5.2523 5.2523 5.6107 5.6107 6.4787 6.4787 6.7941 6.7941 7.7418 7.7418 8.6705 8.6705 12.6833 12.6833 14.1412 14.1412 15.8219 15.8219 k = 0.5000 0.2887 0.5202 ( 5020 PWs) bands (ev): -75.6131 -75.6131 -44.4554 -44.4554 -40.0418 -40.0418 -39.9369 -39.9369 -37.4826 -37.4826 -37.4520 -37.4520 5.0557 5.0557 5.2798 5.2798 5.5977 5.5977 6.4684 6.4684 6.7369 6.7369 7.6382 7.6382 8.6346 8.6346 12.5493 12.5493 14.2737 14.2737 15.9140 15.9140 k = 0.5000 0.2887 0.5068 ( 5014 PWs) bands (ev): -75.6136 -75.6136 -44.4541 -44.4541 -40.0381 -40.0381 -39.9376 -39.9376 -37.4831 -37.4831 -37.4525 -37.4525 5.0858 5.0858 5.3056 5.3056 5.5869 5.5869 6.4574 6.4574 6.6733 6.6733 7.5427 7.5427 8.5977 8.5977 12.4174 12.4174 14.4001 14.4001 16.0102 16.0102 k = 0.5000 0.2887 0.4935 ( 5014 PWs) bands (ev): -75.6141 -75.6141 -44.4528 -44.4528 -40.0343 -40.0343 -39.9382 -39.9382 -37.4836 -37.4836 -37.4530 -37.4530 5.1170 5.1170 5.3279 5.3279 5.5800 5.5800 6.4457 6.4457 6.6036 6.6036 7.4558 7.4558 8.5599 8.5599 12.2875 12.2875 14.5195 14.5195 16.1101 16.1101 k = 0.5000 0.2887 0.4802 ( 5018 PWs) bands (ev): -75.6146 -75.6146 -44.4514 -44.4514 -40.0303 -40.0303 -39.9389 -39.9389 -37.4841 -37.4841 -37.4535 -37.4535 5.1493 5.1493 5.3443 5.3443 5.5793 5.5793 6.4319 6.4319 6.5295 6.5295 7.3777 7.3777 8.5213 8.5213 12.1597 12.1597 14.6304 14.6304 16.2139 16.2139 k = 0.5000 0.2887 0.4668 ( 5022 PWs) bands (ev): -75.6151 -75.6151 -44.4500 -44.4500 -40.0262 -40.0262 -39.9395 -39.9395 -37.4846 -37.4846 -37.4541 -37.4541 5.1824 5.1824 5.3525 5.3525 5.5869 5.5869 6.4075 6.4075 6.4604 6.4604 7.3080 7.3080 8.4820 8.4820 12.0338 12.0338 14.7320 14.7320 16.3213 16.3213 k = 0.5000 0.2887 0.4535 ( 5022 PWs) bands (ev): -75.6156 -75.6156 -44.4486 -44.4486 -40.0221 -40.0221 -39.9402 -39.9402 -37.4851 -37.4851 -37.4546 -37.4546 5.2163 5.2163 5.3516 5.3516 5.6034 5.6034 6.3438 6.3438 6.4266 6.4266 7.2461 7.2461 8.4420 8.4420 11.9098 11.9098 14.8234 14.8234 16.4324 16.4324 k = 0.5000 0.2887 0.4401 ( 5026 PWs) bands (ev): -75.6162 -75.6162 -44.4472 -44.4472 -40.0179 -40.0179 -39.9409 -39.9409 -37.4856 -37.4856 -37.4551 -37.4551 5.2503 5.2503 5.3428 5.3428 5.6274 5.6274 6.2597 6.2597 6.4111 6.4111 7.1909 7.1909 8.4014 8.4014 11.7879 11.7879 14.9041 14.9041 16.5469 16.5469 k = 0.5000 0.2887 0.4268 ( 5026 PWs) bands (ev): -75.6167 -75.6167 -44.4457 -44.4457 -40.0136 -40.0136 -39.9416 -39.9416 -37.4862 -37.4862 -37.4557 -37.4557 5.2822 5.2822 5.3299 5.3299 5.6561 5.6561 6.1730 6.1730 6.3986 6.3986 7.1416 7.1416 8.3603 8.3603 11.6679 11.6679 14.9742 14.9742 16.6648 16.6648 k = 0.5000 0.2887 0.4135 ( 5034 PWs) bands (ev): -75.6172 -75.6172 -44.4443 -44.4443 -40.0093 -40.0093 -39.9423 -39.9423 -37.4867 -37.4867 -37.4562 -37.4562 5.2922 5.2922 5.3337 5.3337 5.6860 5.6860 6.0894 6.0894 6.3870 6.3870 7.0972 7.0972 8.3188 8.3188 11.5498 11.5498 15.0342 15.0342 16.7860 16.7860 k = 0.5000 0.2887 0.4001 ( 5028 PWs) bands (ev): -75.6178 -75.6178 -44.4428 -44.4428 -40.0050 -40.0050 -39.9430 -39.9430 -37.4873 -37.4873 -37.4568 -37.4568 5.2710 5.2710 5.3641 5.3641 5.7116 5.7116 6.0153 6.0153 6.3758 6.3758 7.0569 7.0569 8.2768 8.2768 11.4336 11.4336 15.0846 15.0846 16.9104 16.9104 k = 0.5000 0.2887 0.3868 ( 5038 PWs) bands (ev): -75.6183 -75.6183 -44.4414 -44.4414 -40.0006 -40.0006 -39.9437 -39.9437 -37.4878 -37.4878 -37.4574 -37.4574 5.2412 5.2412 5.3976 5.3976 5.7227 5.7227 5.9625 5.9625 6.3651 6.3651 7.0200 7.0200 8.2344 8.2344 11.3194 11.3194 15.1266 15.1266 17.0379 17.0379 k = 0.5000 0.2887 0.3735 ( 5042 PWs) bands (ev): -75.6189 -75.6189 -44.4399 -44.4399 -39.9963 -39.9963 -39.9444 -39.9444 -37.4884 -37.4884 -37.4579 -37.4579 5.2061 5.2061 5.4290 5.4290 5.7075 5.7075 5.9454 5.9454 6.3549 6.3549 6.9859 6.9859 8.1918 8.1918 11.2071 11.2071 15.1612 15.1612 17.1683 17.1683 k = 0.5000 0.2887 0.3601 ( 5034 PWs) bands (ev): -75.6194 -75.6194 -44.4384 -44.4384 -39.9919 -39.9919 -39.9452 -39.9452 -37.4889 -37.4889 -37.4585 -37.4585 5.1656 5.1656 5.4536 5.4536 5.6741 5.6741 5.9614 5.9614 6.3454 6.3454 6.9544 6.9544 8.1488 8.1488 11.0967 11.0967 15.1894 15.1894 17.3016 17.3016 k = 0.5000 0.2887 0.3468 ( 5034 PWs) bands (ev): -75.6200 -75.6200 -44.4370 -44.4370 -39.9876 -39.9876 -39.9459 -39.9459 -37.4894 -37.4894 -37.4590 -37.4590 5.1195 5.1195 5.4617 5.4617 5.6479 5.6479 5.9948 5.9948 6.3367 6.3367 6.9249 6.9249 8.1057 8.1057 10.9883 10.9883 15.2123 15.2123 17.4376 17.4376 k = 0.5000 0.2887 0.3334 ( 5032 PWs) bands (ev): -75.6205 -75.6205 -44.4356 -44.4356 -39.9832 -39.9832 -39.9466 -39.9466 -37.4900 -37.4900 -37.4596 -37.4596 5.0673 5.0673 5.4452 5.4452 5.6474 5.6474 6.0358 6.0358 6.3295 6.3295 6.8974 6.8974 8.0623 8.0623 10.8817 10.8817 15.2307 15.2307 17.5762 17.5762 k = 0.5000 0.2887 0.3201 ( 5024 PWs) bands (ev): -75.6211 -75.6211 -44.4342 -44.4342 -39.9790 -39.9790 -39.9473 -39.9473 -37.4905 -37.4905 -37.4601 -37.4601 5.0093 5.0093 5.4117 5.4117 5.6690 5.6690 6.0795 6.0795 6.3244 6.3244 6.8715 6.8715 8.0189 8.0189 10.7771 10.7771 15.2455 15.2455 17.7173 17.7173 k = 0.5000 0.2887 0.3068 ( 5032 PWs) bands (ev): -75.6216 -75.6216 -44.4328 -44.4328 -39.9748 -39.9748 -39.9479 -39.9479 -37.4910 -37.4910 -37.4606 -37.4606 4.9463 4.9463 5.3735 5.3735 5.7015 5.7015 6.1226 6.1226 6.3232 6.3232 6.8472 6.8472 7.9753 7.9753 10.6745 10.6745 15.2573 15.2573 17.8607 17.8607 k = 0.5000 0.2887 0.2934 ( 5036 PWs) bands (ev): -75.6221 -75.6221 -44.4315 -44.4315 -39.9706 -39.9706 -39.9486 -39.9486 -37.4915 -37.4915 -37.4612 -37.4612 4.8795 4.8795 5.3364 5.3364 5.7391 5.7391 6.1611 6.1611 6.3288 6.3288 6.8242 6.8242 7.9316 7.9316 10.5738 10.5738 15.2666 15.2666 18.0064 18.0064 k = 0.5000 0.2887 0.2801 ( 5032 PWs) bands (ev): -75.6226 -75.6226 -44.4302 -44.4302 -39.9666 -39.9666 -39.9492 -39.9492 -37.4920 -37.4920 -37.4617 -37.4617 4.8102 4.8102 5.3022 5.3022 5.7791 5.7791 6.1903 6.1903 6.3457 6.3457 6.8026 6.8026 7.8879 7.8879 10.4751 10.4751 15.2739 15.2739 18.1542 18.1542 k = 0.5000 0.2887 0.2668 ( 5050 PWs) bands (ev): -75.6231 -75.6231 -44.4289 -44.4289 -39.9626 -39.9626 -39.9499 -39.9499 -37.4925 -37.4925 -37.4622 -37.4622 4.7400 4.7400 5.2709 5.2709 5.8203 5.8203 6.2072 6.2072 6.3763 6.3763 6.7823 6.7823 7.8443 7.8443 10.3785 10.3785 15.2796 15.2796 18.3039 18.3039 k = 0.5000 0.2887 0.2534 ( 5050 PWs) bands (ev): -75.6236 -75.6236 -44.4276 -44.4276 -39.9588 -39.9588 -39.9505 -39.9505 -37.4930 -37.4930 -37.4627 -37.4627 4.6698 4.6698 5.2424 5.2424 5.8621 5.8621 6.2144 6.2144 6.4180 6.4180 6.7632 6.7632 7.8007 7.8007 10.2841 10.2841 15.2840 15.2840 18.4553 18.4553 k = 0.5000 0.2887 0.2401 ( 5042 PWs) bands (ev): -75.6240 -75.6240 -44.4264 -44.4264 -39.9551 -39.9551 -39.9510 -39.9510 -37.4934 -37.4934 -37.4632 -37.4632 4.6007 4.6007 5.2163 5.2163 5.9039 5.9039 6.2165 6.2165 6.4663 6.4663 6.7453 6.7453 7.7571 7.7571 10.1918 10.1918 15.2873 15.2873 18.6084 18.6084 k = 0.5000 0.2887 0.2267 ( 5036 PWs) bands (ev): -75.6245 -75.6245 -44.4253 -44.4253 -39.9523 -39.9523 -39.9508 -39.9508 -37.4939 -37.4939 -37.4636 -37.4636 4.5333 4.5333 5.1923 5.1923 5.9450 5.9450 6.2166 6.2166 6.5179 6.5179 6.7288 6.7288 7.7138 7.7138 10.1018 10.1018 15.2898 15.2898 18.7628 18.7628 k = 0.5000 0.2887 0.2134 ( 5044 PWs) bands (ev): -75.6249 -75.6249 -44.4242 -44.4242 -39.9524 -39.9524 -39.9477 -39.9477 -37.4943 -37.4943 -37.4640 -37.4640 4.4681 4.4681 5.1701 5.1701 5.9847 5.9847 6.2168 6.2168 6.5706 6.5706 6.7140 6.7140 7.6706 7.6706 10.0142 10.0142 15.2916 15.2916 18.9183 18.9183 k = 0.5000 0.2887 0.2001 ( 5048 PWs) bands (ev): -75.6253 -75.6253 -44.4231 -44.4231 -39.9529 -39.9529 -39.9445 -39.9445 -37.4947 -37.4947 -37.4645 -37.4645 4.4057 4.4057 5.1497 5.1497 6.0219 6.0219 6.2190 6.2190 6.6219 6.6219 6.7023 6.7023 7.6277 7.6277 9.9292 9.9292 15.2928 15.2928 19.0746 19.0746 k = 0.5000 0.2887 0.1867 ( 5050 PWs) bands (ev): -75.6257 -75.6257 -44.4221 -44.4221 -39.9533 -39.9533 -39.9413 -39.9413 -37.4951 -37.4951 -37.4648 -37.4648 4.3464 4.3464 5.1307 5.1307 6.0548 6.0548 6.2252 6.2252 6.6597 6.6597 6.7052 6.7052 7.5853 7.5853 9.8469 9.8469 15.2936 15.2936 19.2315 19.2315 k = 0.5000 0.2887 0.1734 ( 5050 PWs) bands (ev): -75.6261 -75.6261 -44.4212 -44.4212 -39.9538 -39.9538 -39.9384 -39.9384 -37.4955 -37.4955 -37.4652 -37.4652 4.2903 4.2903 5.1133 5.1133 6.0810 6.0810 6.2378 6.2378 6.6617 6.6617 6.7444 6.7444 7.5433 7.5433 9.7675 9.7675 15.2941 15.2941 19.3885 19.3885 k = 0.5000 0.2887 0.1601 ( 5052 PWs) bands (ev): -75.6264 -75.6264 -44.4203 -44.4203 -39.9543 -39.9543 -39.9356 -39.9356 -37.4958 -37.4958 -37.4656 -37.4656 4.2378 4.2378 5.0972 5.0972 6.0991 6.0991 6.2584 6.2584 6.6528 6.6528 6.7944 6.7944 7.5020 7.5020 9.6912 9.6912 15.2943 15.2943 19.5452 19.5452 k = 0.5000 0.2887 0.1467 ( 5040 PWs) bands (ev): -75.6267 -75.6267 -44.4195 -44.4195 -39.9547 -39.9547 -39.9330 -39.9330 -37.4961 -37.4961 -37.4659 -37.4659 4.1890 4.1890 5.0824 5.0824 6.1097 6.1097 6.2862 6.2862 6.6431 6.6431 6.8446 6.8446 7.4616 7.4616 9.6184 9.6184 15.2943 15.2943 19.7010 19.7010 k = 0.5000 0.2887 0.1334 ( 5048 PWs) bands (ev): -75.6270 -75.6270 -44.4187 -44.4187 -39.9550 -39.9550 -39.9305 -39.9305 -37.4964 -37.4964 -37.4662 -37.4662 4.1441 4.1441 5.0690 5.0690 6.1148 6.1148 6.3190 6.3190 6.6339 6.6339 6.8930 6.8930 7.4224 7.4224 9.5494 9.5494 15.2942 15.2942 19.8552 19.8552 k = 0.5000 0.2887 0.1200 ( 5046 PWs) bands (ev): -75.6273 -75.6273 -44.4180 -44.4180 -39.9554 -39.9554 -39.9283 -39.9283 -37.4967 -37.4967 -37.4665 -37.4665 4.1032 4.1032 5.0569 5.0569 6.1167 6.1167 6.3544 6.3544 6.6256 6.6256 6.9386 6.9386 7.3850 7.3850 9.4845 9.4845 15.2940 15.2940 20.0071 20.0071 k = 0.5000 0.2887 0.1067 ( 5038 PWs) bands (ev): -75.6276 -75.6276 -44.4174 -44.4174 -39.9557 -39.9557 -39.9263 -39.9263 -37.4969 -37.4969 -37.4667 -37.4667 4.0663 4.0663 5.0460 5.0460 6.1168 6.1168 6.3907 6.3907 6.6183 6.6183 6.9802 6.9802 7.3500 7.3500 9.4242 9.4242 15.2937 15.2937 20.1554 20.1554 k = 0.5000 0.2887 0.0934 ( 5038 PWs) bands (ev): -75.6278 -75.6278 -44.4168 -44.4168 -39.9560 -39.9560 -39.9246 -39.9246 -37.4971 -37.4971 -37.4669 -37.4669 4.0336 4.0336 5.0364 5.0364 6.1160 6.1160 6.4264 6.4264 6.6122 6.6122 7.0165 7.0165 7.3185 7.3185 9.3690 9.3690 15.2934 15.2934 20.2988 20.2988 k = 0.5000 0.2887 0.0800 ( 5050 PWs) bands (ev): -75.6280 -75.6280 -44.4164 -44.4164 -39.9562 -39.9562 -39.9230 -39.9230 -37.4973 -37.4973 -37.4671 -37.4671 4.0051 4.0051 5.0281 5.0281 6.1147 6.1147 6.4605 6.4605 6.6076 6.6076 7.0457 7.0457 7.2922 7.2922 9.3194 9.3194 15.2931 15.2931 20.4354 20.4354 k = 0.5000 0.2887 0.0667 ( 5050 PWs) bands (ev): -75.6281 -75.6281 -44.4159 -44.4159 -39.9564 -39.9564 -39.9217 -39.9217 -37.4975 -37.4975 -37.4673 -37.4673 3.9810 3.9810 5.0211 5.0211 6.1133 6.1133 6.4916 6.4916 6.6047 6.6047 7.0657 7.0657 7.2732 7.2732 9.2760 9.2760 15.2928 15.2928 20.5626 20.5626 k = 0.5000 0.2887 0.0534 ( 5050 PWs) bands (ev): -75.6283 -75.6283 -44.4156 -44.4156 -39.9566 -39.9566 -39.9206 -39.9206 -37.4976 -37.4976 -37.4674 -37.4674 3.9611 3.9611 5.0153 5.0153 6.1120 6.1120 6.5180 6.5180 6.6042 6.6042 7.0751 7.0751 7.2630 7.2630 9.2395 9.2395 15.2926 15.2926 20.6763 20.6763 k = 0.5000 0.2887 0.0400 ( 5046 PWs) bands (ev): -75.6284 -75.6284 -44.4153 -44.4153 -39.9567 -39.9567 -39.9197 -39.9197 -37.4977 -37.4977 -37.4675 -37.4675 3.9457 3.9457 5.0109 5.0109 6.1109 6.1109 6.5377 6.5377 6.6069 6.6069 7.0753 7.0753 7.2607 7.2607 9.2103 9.2103 15.2924 15.2924 20.7625 20.7625 k = 0.5000 0.2887 0.0267 ( 5048 PWs) bands (ev): -75.6284 -75.6284 -44.4152 -44.4152 -39.9568 -39.9568 -39.9191 -39.9191 -37.4978 -37.4978 -37.4676 -37.4676 3.9346 3.9346 5.0077 5.0077 6.1100 6.1100 6.5499 6.5499 6.6124 6.6124 7.0707 7.0707 7.2629 7.2629 9.1891 9.1891 15.2922 15.2922 20.7713 20.7713 k = 0.5000 0.2887 0.0133 ( 5044 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9188 -39.9188 -37.4978 -37.4978 -37.4677 -37.4677 3.9279 3.9279 5.0057 5.0057 6.1095 6.1095 6.5557 6.5557 6.6179 6.6179 7.0658 7.0658 7.2657 7.2657 9.1762 9.1762 15.2921 15.2921 20.7668 20.7668 k = 0.5000 0.2887-0.0000 ( 5050 PWs) bands (ev): -75.6285 -75.6285 -44.4150 -44.4150 -39.9569 -39.9569 -39.9187 -39.9187 -37.4978 -37.4978 -37.4677 -37.4677 3.9257 3.9257 5.0051 5.0051 6.1093 6.1093 6.5573 6.5573 6.6202 6.6202 7.0638 7.0638 7.2669 7.2669 9.1718 9.1718 15.2921 15.2921 20.7650 20.7650 k = 0.3333 0.5774-0.0000 ( 5043 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9187 -39.9187 -37.4829 -37.4829 -37.4823 -37.4823 4.0504 4.0504 5.4776 5.4776 5.7379 5.7379 6.0665 6.0665 7.0555 7.0555 7.2294 7.2294 7.7780 7.7780 7.7978 7.7978 17.0296 17.0296 18.8859 18.8859 k = 0.3333 0.5774 0.0133 ( 5049 PWs) bands (ev): -75.6285 -75.6285 -44.4151 -44.4151 -39.9571 -39.9571 -39.9189 -39.9189 -37.4829 -37.4829 -37.4823 -37.4823 4.0527 4.0527 5.4777 5.4777 5.7380 5.7380 6.0673 6.0673 7.0507 7.0507 7.2228 7.2228 7.7833 7.7833 7.8045 7.8045 17.0306 17.0306 18.8843 18.8843 k = 0.3333 0.5774 0.0267 ( 5058 PWs) bands (ev): -75.6284 -75.6284 -44.4152 -44.4152 -39.9571 -39.9571 -39.9192 -39.9192 -37.4829 -37.4829 -37.4823 -37.4823 4.0597 4.0597 5.4782 5.4782 5.7381 5.7381 6.0697 6.0697 7.0366 7.0366 7.2038 7.2038 7.7986 7.7986 7.8238 7.8238 17.0334 17.0334 18.8794 18.8794 k = 0.3333 0.5774 0.0400 ( 5058 PWs) bands (ev): -75.6284 -75.6284 -44.4154 -44.4154 -39.9570 -39.9570 -39.9198 -39.9198 -37.4828 -37.4828 -37.4822 -37.4822 4.0713 4.0713 5.4791 5.4791 5.7382 5.7382 6.0737 6.0737 7.0143 7.0143 7.1747 7.1747 7.8229 7.8229 7.8536 7.8536 17.0382 17.0382 18.8711 18.8711 k = 0.3333 0.5774 0.0534 ( 5052 PWs) bands (ev): -75.6283 -75.6283 -44.4157 -44.4157 -39.9568 -39.9568 -39.9207 -39.9207 -37.4827 -37.4827 -37.4821 -37.4821 4.0876 4.0876 5.4802 5.4802 5.7384 5.7384 6.0793 6.0793 6.9854 6.9854 7.1378 7.1378 7.8547 7.8547 7.8914 7.8914 17.0449 17.0449 18.8594 18.8594 k = 0.3333 0.5774 0.0667 ( 5052 PWs) bands (ev): -75.6281 -75.6281 -44.4160 -44.4160 -39.9566 -39.9566 -39.9218 -39.9218 -37.4826 -37.4826 -37.4820 -37.4820 4.1084 4.1084 5.4817 5.4817 5.7385 5.7385 6.0865 6.0865 6.9512 6.9512 7.0953 7.0953 7.8926 7.8926 7.9351 7.9351 17.0535 17.0535 18.8441 18.8441 k = 0.3333 0.5774 0.0800 ( 5052 PWs) bands (ev): -75.6280 -75.6280 -44.4164 -44.4164 -39.9564 -39.9564 -39.9231 -39.9231 -37.4824 -37.4824 -37.4818 -37.4818 4.1339 4.1339 5.4834 5.4834 5.7386 5.7386 6.0952 6.0952 6.9133 6.9133 7.0489 7.0489 7.9354 7.9354 7.9831 7.9831 17.0640 17.0640 18.8250 18.8250 k = 0.3333 0.5774 0.0934 ( 5049 PWs) bands (ev): -75.6278 -75.6278 -44.4169 -44.4169 -39.9562 -39.9562 -39.9246 -39.9246 -37.4822 -37.4822 -37.4816 -37.4816 4.1639 4.1639 5.4854 5.4854 5.7386 5.7386 6.1054 6.1054 6.8728 6.8728 6.9998 6.9998 7.9819 7.9819 8.0341 8.0341 17.0763 17.0763 18.8020 18.8020 k = 0.3333 0.5774 0.1067 ( 5049 PWs) bands (ev): -75.6276 -75.6276 -44.4175 -44.4175 -39.9559 -39.9559 -39.9264 -39.9264 -37.4820 -37.4820 -37.4814 -37.4814 4.1985 4.1985 5.4877 5.4877 5.7384 5.7384 6.1171 6.1171 6.8306 6.8306 6.9488 6.9488 8.0313 8.0313 8.0874 8.0874 17.0905 17.0905 18.7748 18.7748 k = 0.3333 0.5774 0.1200 ( 5055 PWs) bands (ev): -75.6273 -75.6273 -44.4181 -44.4181 -39.9556 -39.9556 -39.9284 -39.9284 -37.4818 -37.4818 -37.4812 -37.4812 4.2376 4.2376 5.4901 5.4901 5.7379 5.7379 6.1301 6.1301 6.7874 6.7874 6.8967 6.8967 8.0831 8.0831 8.1424 8.1424 17.1065 17.1065 18.7432 18.7432 k = 0.3333 0.5774 0.1334 ( 5067 PWs) bands (ev): -75.6270 -75.6270 -44.4188 -44.4188 -39.9552 -39.9552 -39.9306 -39.9306 -37.4815 -37.4815 -37.4809 -37.4809 4.2810 4.2810 5.4927 5.4927 5.7371 5.7371 6.1444 6.1444 6.7441 6.7441 6.8437 6.8437 8.1367 8.1367 8.1986 8.1986 17.1243 17.1243 18.7069 18.7069 k = 0.3333 0.5774 0.1467 ( 5061 PWs) bands (ev): -75.6267 -75.6267 -44.4195 -44.4195 -39.9549 -39.9549 -39.9330 -39.9330 -37.4812 -37.4812 -37.4806 -37.4806 4.3289 4.3289 5.4954 5.4954 5.7357 5.7357 6.1598 6.1598 6.7012 6.7012 6.7904 6.7904 8.1918 8.1918 8.2559 8.2559 17.1439 17.1439 18.6657 18.6657 k = 0.3333 0.5774 0.1601 ( 5055 PWs) bands (ev): -75.6264 -75.6264 -44.4203 -44.4203 -39.9544 -39.9544 -39.9357 -39.9357 -37.4809 -37.4809 -37.4803 -37.4803 4.3810 4.3810 5.4982 5.4982 5.7336 5.7336 6.1762 6.1762 6.6593 6.6593 6.7370 6.7370 8.2481 8.2481 8.3139 8.3139 17.1652 17.1652 18.6193 18.6193 k = 0.3333 0.5774 0.1734 ( 5055 PWs) bands (ev): -75.6261 -75.6261 -44.4212 -44.4212 -39.9540 -39.9540 -39.9385 -39.9385 -37.4805 -37.4805 -37.4800 -37.4800 4.4374 4.4374 5.5010 5.5010 5.7307 5.7307 6.1932 6.1932 6.6193 6.6193 6.6837 6.6837 8.3054 8.3054 8.3726 8.3726 17.1882 17.1882 18.5676 18.5676 k = 0.3333 0.5774 0.1867 ( 5055 PWs) bands (ev): -75.6257 -75.6257 -44.4222 -44.4222 -39.9535 -39.9535 -39.9414 -39.9414 -37.4801 -37.4801 -37.4796 -37.4796 4.4980 4.4980 5.5037 5.5037 5.7268 5.7268 6.2105 6.2105 6.5818 6.5818 6.6308 6.6308 8.3636 8.3636 8.4317 8.4317 17.2129 17.2129 18.5105 18.5105 k = 0.3333 0.5774 0.2001 ( 5043 PWs) bands (ev): -75.6253 -75.6253 -44.4232 -44.4232 -39.9530 -39.9530 -39.9446 -39.9446 -37.4797 -37.4797 -37.4792 -37.4792 4.5626 4.5626 5.5063 5.5063 5.7216 5.7216 6.2274 6.2274 6.5480 6.5480 6.5784 6.5784 8.4224 8.4224 8.4913 8.4913 17.2391 17.2391 18.4478 18.4478 k = 0.3333 0.5774 0.2134 ( 5049 PWs) bands (ev): -75.6249 -75.6249 -44.4242 -44.4242 -39.9525 -39.9525 -39.9479 -39.9479 -37.4793 -37.4793 -37.4788 -37.4788 4.6310 4.6310 5.5086 5.5086 5.7150 5.7150 6.2428 6.2428 6.5193 6.5193 6.5268 6.5268 8.4817 8.4817 8.5511 8.5511 17.2668 17.2668 18.3795 18.3795 k = 0.3333 0.5774 0.2267 ( 5049 PWs) bands (ev): -75.6245 -75.6245 -44.4253 -44.4253 -39.9519 -39.9519 -39.9514 -39.9514 -37.4789 -37.4789 -37.4784 -37.4784 4.7033 4.7033 5.5105 5.5105 5.7066 5.7066 6.2553 6.2553 6.4762 6.4762 6.4975 6.4975 8.5416 8.5416 8.6113 8.6113 17.2959 17.2959 18.3057 18.3057 k = 0.3333 0.5774 0.2401 ( 5055 PWs) bands (ev): -75.6240 -75.6240 -44.4265 -44.4265 -39.9550 -39.9550 -39.9513 -39.9513 -37.4785 -37.4785 -37.4780 -37.4780 4.7791 4.7791 5.5120 5.5120 5.6964 5.6964 6.2629 6.2629 6.4267 6.4267 6.4848 6.4848 8.6019 8.6019 8.6716 8.6716 17.3263 17.3263 18.2267 18.2267 k = 0.3333 0.5774 0.2534 ( 5058 PWs) bands (ev): -75.6236 -75.6236 -44.4277 -44.4277 -39.9587 -39.9587 -39.9507 -39.9507 -37.4780 -37.4780 -37.4775 -37.4775 4.8582 4.8582 5.5127 5.5127 5.6842 5.6842 6.2645 6.2645 6.3787 6.3787 6.4829 6.4829 8.6625 8.6625 8.7322 8.7322 17.3578 17.3578 18.1425 18.1425 k = 0.3333 0.5774 0.2668 ( 5058 PWs) bands (ev): -75.6231 -75.6231 -44.4289 -44.4289 -39.9626 -39.9626 -39.9501 -39.9501 -37.4775 -37.4775 -37.4771 -37.4771 4.9404 4.9404 5.5126 5.5126 5.6700 5.6700 6.2604 6.2604 6.3322 6.3322 6.4916 6.4916 8.7234 8.7234 8.7929 8.7929 17.3902 17.3902 18.0536 18.0536 k = 0.3333 0.5774 0.2801 ( 5037 PWs) bands (ev): -75.6226 -75.6226 -44.4302 -44.4302 -39.9666 -39.9666 -39.9495 -39.9495 -37.4770 -37.4770 -37.4766 -37.4766 5.0250 5.0250 5.5115 5.5115 5.6539 5.6539 6.2526 6.2526 6.2876 6.2876 6.5092 6.5092 8.7846 8.7846 8.8537 8.8537 17.4233 17.4233 17.9603 17.9603 k = 0.3333 0.5774 0.2934 ( 5037 PWs) bands (ev): -75.6221 -75.6221 -44.4315 -44.4315 -39.9706 -39.9706 -39.9488 -39.9488 -37.4765 -37.4765 -37.4761 -37.4761 5.1113 5.1113 5.5091 5.5091 5.6367 5.6367 6.2433 6.2433 6.2452 6.2452 6.5337 6.5337 8.8459 8.8459 8.9146 8.9146 17.4567 17.4567 17.8631 17.8631 k = 0.3333 0.5774 0.3068 ( 5031 PWs) bands (ev): -75.6216 -75.6216 -44.4329 -44.4329 -39.9748 -39.9748 -39.9481 -39.9481 -37.4760 -37.4760 -37.4756 -37.4756 5.1978 5.1978 5.5052 5.5052 5.6196 5.6196 6.2052 6.2052 6.2342 6.2342 6.5632 6.5632 8.9074 8.9074 8.9755 8.9755 17.4900 17.4900 17.7624 17.7624 k = 0.3333 0.5774 0.3201 ( 5031 PWs) bands (ev): -75.6211 -75.6211 -44.4342 -44.4342 -39.9790 -39.9790 -39.9475 -39.9475 -37.4754 -37.4754 -37.4751 -37.4751 5.2813 5.2813 5.4996 5.4996 5.6057 5.6057 6.1679 6.1679 6.2263 6.2263 6.5969 6.5969 8.9691 8.9691 9.0364 9.0364 17.5223 17.5223 17.6583 17.6583 k = 0.3333 0.5774 0.3334 ( 5031 PWs) bands (ev): -75.6205 -75.6205 -44.4356 -44.4356 -39.9832 -39.9832 -39.9468 -39.9468 -37.4749 -37.4749 -37.4745 -37.4745 5.3540 5.3540 5.4920 5.4920 5.6027 5.6027 6.1336 6.1336 6.2203 6.2203 6.6340 6.6340 9.0308 9.0308 9.0973 9.0973 17.5402 17.5402 17.5526 17.5526 k = 0.3333 0.5774 0.3468 ( 5037 PWs) bands (ev): -75.6200 -75.6200 -44.4371 -44.4371 -39.9876 -39.9876 -39.9461 -39.9461 -37.4744 -37.4744 -37.4740 -37.4740 5.4002 5.4002 5.4821 5.4821 5.6261 5.6261 6.1025 6.1025 6.2164 6.2164 6.6744 6.6744 9.0925 9.0925 9.1582 9.1582 17.4368 17.4368 17.4444 17.4444 k = 0.3333 0.5774 0.3601 ( 5046 PWs) bands (ev): -75.6194 -75.6194 -44.4385 -44.4385 -39.9919 -39.9919 -39.9453 -39.9453 -37.4738 -37.4738 -37.4735 -37.4735 5.4106 5.4106 5.4698 5.4698 5.6850 5.6850 6.0749 6.0749 6.2147 6.2147 6.7181 6.7181 9.1542 9.1542 9.2190 9.2190 17.3248 17.3248 17.3347 17.3347 k = 0.3333 0.5774 0.3735 ( 5046 PWs) bands (ev): -75.6189 -75.6189 -44.4399 -44.4399 -39.9963 -39.9963 -39.9446 -39.9446 -37.4733 -37.4733 -37.4730 -37.4730 5.3977 5.3977 5.4551 5.4551 5.7665 5.7665 6.0508 6.0508 6.2153 6.2153 6.7652 6.7652 9.2158 9.2158 9.2796 9.2796 17.2115 17.2115 17.2239 17.2239 k = 0.3333 0.5774 0.3868 ( 5055 PWs) bands (ev): -75.6183 -75.6183 -44.4414 -44.4414 -40.0006 -40.0006 -39.9439 -39.9439 -37.4727 -37.4727 -37.4724 -37.4724 5.3740 5.3740 5.4380 5.4380 5.8571 5.8571 6.0302 6.0302 6.2186 6.2186 6.8161 6.8161 9.2774 9.2774 9.3401 9.3401 17.0974 17.0974 17.1125 17.1125 k = 0.3333 0.5774 0.4001 ( 5037 PWs) bands (ev): -75.6178 -75.6178 -44.4429 -44.4429 -40.0050 -40.0050 -39.9432 -39.9432 -37.4722 -37.4722 -37.4719 -37.4719 5.3455 5.3455 5.4184 5.4184 5.9494 5.9494 6.0132 6.0132 6.2253 6.2253 6.8713 6.8713 9.3388 9.3388 9.4004 9.4004 16.9832 16.9832 17.0009 17.0009 k = 0.3333 0.5774 0.4135 ( 5031 PWs) bands (ev): -75.6172 -75.6172 -44.4443 -44.4443 -40.0093 -40.0093 -39.9425 -39.9425 -37.4716 -37.4716 -37.4713 -37.4713 5.3145 5.3145 5.3968 5.3968 5.9994 5.9994 6.0377 6.0377 6.2379 6.2379 6.9314 6.9314 9.3999 9.3999 9.4603 9.4603 16.8690 16.8690 16.8894 16.8894 k = 0.3333 0.5774 0.4268 ( 5031 PWs) bands (ev): -75.6167 -75.6167 -44.4458 -44.4458 -40.0136 -40.0136 -39.9418 -39.9418 -37.4711 -37.4711 -37.4708 -37.4708 5.2823 5.2823 5.3733 5.3733 5.9887 5.9887 6.1131 6.1131 6.2630 6.2630 6.9973 6.9973 9.4607 9.4607 9.5199 9.5199 16.7554 16.7554 16.7785 16.7785 k = 0.3333 0.5774 0.4401 ( 5031 PWs) bands (ev): -75.6162 -75.6162 -44.4472 -44.4472 -40.0179 -40.0179 -39.9411 -39.9411 -37.4705 -37.4705 -37.4703 -37.4703 5.2495 5.2495 5.3483 5.3483 5.9806 5.9806 6.1634 6.1634 6.3113 6.3113 7.0698 7.0698 9.5212 9.5212 9.5792 9.5792 16.6427 16.6427 16.6684 16.6684 k = 0.3333 0.5774 0.4535 ( 5037 PWs) bands (ev): -75.6156 -75.6156 -44.4486 -44.4486 -40.0221 -40.0221 -39.9404 -39.9404 -37.4700 -37.4700 -37.4697 -37.4697 5.2165 5.2165 5.3222 5.3222 5.9749 5.9749 6.1899 6.1899 6.3796 6.3796 7.1496 7.1496 9.5812 9.5812 9.6379 9.6379 16.5311 16.5311 16.5594 16.5594 k = 0.3333 0.5774 0.4668 ( 5028 PWs) bands (ev): -75.6151 -75.6151 -44.4500 -44.4500 -40.0262 -40.0262 -39.9397 -39.9397 -37.4694 -37.4694 -37.4692 -37.4692 5.1838 5.1838 5.2952 5.2952 5.9713 5.9713 6.2054 6.2054 6.4542 6.4542 7.2374 7.2374 9.6407 9.6407 9.6960 9.6960 16.4209 16.4209 16.4520 16.4520 k = 0.3333 0.5774 0.4802 ( 5049 PWs) bands (ev): -75.6146 -75.6146 -44.4514 -44.4514 -40.0303 -40.0303 -39.9390 -39.9390 -37.4689 -37.4689 -37.4687 -37.4687 5.1516 5.1516 5.2678 5.2678 5.9693 5.9693 6.2167 6.2167 6.5274 6.5274 7.3334 7.3334 9.6996 9.6996 9.7535 9.7535 16.3124 16.3124 16.3463 16.3463 k = 0.3333 0.5774 0.4935 ( 5049 PWs) bands (ev): -75.6141 -75.6141 -44.4528 -44.4528 -40.0342 -40.0342 -39.9384 -39.9384 -37.4684 -37.4684 -37.4682 -37.4682 5.1200 5.1200 5.2402 5.2402 5.9688 5.9688 6.2263 6.2263 6.5964 6.5964 7.4374 7.4374 9.7578 9.7578 9.8102 9.8102 16.2057 16.2057 16.2427 16.2427 k = 0.3333 0.5774 0.5068 ( 5049 PWs) bands (ev): -75.6136 -75.6136 -44.4541 -44.4541 -40.0381 -40.0381 -39.9377 -39.9377 -37.4679 -37.4679 -37.4678 -37.4678 5.0891 5.0891 5.2128 5.2128 5.9694 5.9694 6.2350 6.2350 6.6603 6.6603 7.5490 7.5490 9.8150 9.8150 9.8661 9.8661 16.1009 16.1009 16.1414 16.1414 k = 0.3333 0.5774 0.5202 ( 5046 PWs) bands (ev): -75.6131 -75.6131 -44.4554 -44.4554 -40.0418 -40.0418 -39.9371 -39.9371 -37.4674 -37.4674 -37.4673 -37.4673 5.0593 5.0593 5.1857 5.1857 5.9709 5.9709 6.2432 6.2432 6.7191 6.7191 7.6673 7.6673 9.8714 9.8714 9.9209 9.9209 15.9978 15.9978 16.0426 16.0426 k = 0.3333 0.5774 0.5335 ( 5046 PWs) bands (ev): -75.6126 -75.6126 -44.4567 -44.4567 -40.0454 -40.0454 -39.9365 -39.9365 -37.4670 -37.4670 -37.4668 -37.4668 5.0304 5.0304 5.1591 5.1591 5.9731 5.9731 6.2511 6.2511 6.7731 6.7731 7.7913 7.7913 9.9266 9.9266 9.9747 9.9747 15.8953 15.8953 15.9467 15.9467 k = 0.3333 0.5774 0.5468 ( 5046 PWs) bands (ev): -75.6122 -75.6122 -44.4579 -44.4579 -40.0489 -40.0489 -39.9359 -39.9359 -37.4665 -37.4665 -37.4664 -37.4664 5.0027 5.0027 5.1333 5.1333 5.9760 5.9760 6.2588 6.2588 6.8226 6.8226 7.9200 7.9200 9.9806 9.9806 10.0271 10.0271 15.7883 15.7883 15.8539 15.8539 k = 0.3333 0.5774 0.5602 ( 5046 PWs) bands (ev): -75.6118 -75.6118 -44.4590 -44.4590 -40.0522 -40.0522 -39.9353 -39.9353 -37.4661 -37.4661 -37.4660 -37.4660 4.9762 4.9762 5.1083 5.1083 5.9792 5.9792 6.2661 6.2661 6.8682 6.8682 8.0524 8.0524 10.0331 10.0331 10.0781 10.0781 15.6532 15.6532 15.7637 15.7637 k = 0.3333 0.5774 0.5735 ( 5064 PWs) bands (ev): -75.6114 -75.6114 -44.4602 -44.4602 -40.0554 -40.0554 -39.9348 -39.9348 -37.4657 -37.4657 -37.4656 -37.4656 4.9510 4.9510 5.0844 5.0844 5.9827 5.9827 6.2733 6.2733 6.9101 6.9101 8.1874 8.1874 10.0841 10.0841 10.1275 10.1275 15.4742 15.4742 15.6526 15.6526 k = 0.3333 0.5774 0.5869 ( 5064 PWs) bands (ev): -75.6110 -75.6110 -44.4612 -44.4612 -40.0584 -40.0584 -39.9343 -39.9343 -37.4653 -37.4653 -37.4652 -37.4652 4.9272 4.9272 5.0616 5.0616 5.9864 5.9864 6.2801 6.2801 6.9487 6.9487 8.3241 8.3241 10.1333 10.1333 10.1752 10.1752 15.2825 15.2825 15.5616 15.5616 k = 0.3333 0.5774 0.6002 ( 5064 PWs) bands (ev): -75.6106 -75.6106 -44.4622 -44.4622 -40.0613 -40.0613 -39.9338 -39.9338 -37.4649 -37.4649 -37.4649 -37.4649 4.9048 4.9048 5.0400 5.0400 5.9902 5.9902 6.2866 6.2866 6.9843 6.9843 8.4615 8.4615 10.1806 10.1806 10.2208 10.2208 15.0910 15.0910 15.4787 15.4787 k = 0.3333 0.5774 0.6135 ( 5064 PWs) bands (ev): -75.6103 -75.6103 -44.4632 -44.4632 -40.0639 -40.0639 -39.9334 -39.9334 -37.4646 -37.4646 -37.4645 -37.4645 4.8839 4.8839 5.0198 5.0198 5.9939 5.9939 6.2928 6.2928 7.0169 7.0169 8.5986 8.5986 10.2257 10.2257 10.2643 10.2643 14.9031 14.9031 15.4018 15.4018 k = 0.3333 0.5774 0.6269 ( 5052 PWs) bands (ev): -75.6099 -75.6099 -44.4640 -44.4640 -40.0664 -40.0664 -39.9330 -39.9330 -37.4642 -37.4642 -37.4642 -37.4642 4.8645 4.8645 5.0009 5.0009 5.9976 5.9976 6.2987 6.2987 7.0469 7.0469 8.7342 8.7342 10.2685 10.2685 10.3055 10.3055 14.7207 14.7207 15.3301 15.3301 k = 0.3333 0.5774 0.6402 ( 5037 PWs) bands (ev): -75.6096 -75.6096 -44.4649 -44.4649 -40.0687 -40.0687 -39.9326 -39.9326 -37.4639 -37.4639 -37.4639 -37.4639 4.8467 4.8467 4.9835 4.9835 6.0012 6.0012 6.3041 6.3041 7.0741 7.0741 8.8673 8.8673 10.3086 10.3086 10.3440 10.3440 14.5449 14.5449 15.2638 15.2638 k = 0.3333 0.5774 0.6535 ( 5034 PWs) bands (ev): -75.6094 -75.6094 -44.4656 -44.4656 -40.0708 -40.0708 -39.9322 -39.9322 -37.4637 -37.4637 -37.4636 -37.4636 4.8304 4.8304 4.9676 4.9676 6.0046 6.0046 6.3091 6.3091 7.0987 7.0987 8.9964 8.9964 10.3460 10.3460 10.3797 10.3797 14.3772 14.3772 15.2029 15.2029 k = 0.3333 0.5774 0.6669 ( 5034 PWs) bands (ev): -75.6091 -75.6091 -44.4663 -44.4663 -40.0727 -40.0727 -39.9319 -39.9319 -37.4634 -37.4634 -37.4634 -37.4634 4.8158 4.8158 4.9532 4.9532 6.0077 6.0077 6.3136 6.3136 7.1208 7.1208 9.1202 9.1202 10.3804 10.3804 10.4124 10.4124 14.2191 14.2191 15.1477 15.1477 k = 0.3333 0.5774 0.6802 ( 5034 PWs) bands (ev): -75.6089 -75.6089 -44.4669 -44.4669 -40.0743 -40.0743 -39.9316 -39.9316 -37.4632 -37.4632 -37.4632 -37.4632 4.8029 4.8029 4.9405 4.9405 6.0106 6.0106 6.3176 6.3176 7.1402 7.1402 9.2369 9.2369 10.4115 10.4115 10.4419 10.4419 14.0720 14.0720 15.0983 15.0983 k = 0.3333 0.5774 0.6936 ( 5028 PWs) bands (ev): -75.6087 -75.6087 -44.4674 -44.4674 -40.0758 -40.0758 -39.9314 -39.9314 -37.4630 -37.4630 -37.4630 -37.4630 4.7916 4.7916 4.9293 4.9293 6.0131 6.0131 6.3212 6.3212 7.1571 7.1571 9.3446 9.3446 10.4392 10.4392 10.4679 10.4679 13.9379 13.9379 15.0549 15.0549 k = 0.3333 0.5774 0.7069 ( 5028 PWs) bands (ev): -75.6085 -75.6085 -44.4678 -44.4678 -40.0770 -40.0770 -39.9312 -39.9312 -37.4628 -37.4628 -37.4628 -37.4628 4.7820 4.7820 4.9199 4.9199 6.0153 6.0153 6.3242 6.3242 7.1714 7.1714 9.4412 9.4412 10.4632 10.4632 10.4903 10.4903 13.8189 13.8189 15.0178 15.0178 k = 0.3333 0.5774 0.7202 ( 5034 PWs) bands (ev): -75.6084 -75.6084 -44.4682 -44.4682 -40.0781 -40.0781 -39.9310 -39.9310 -37.4627 -37.4627 -37.4627 -37.4627 4.7741 4.7741 4.9121 4.9121 6.0171 6.0171 6.3268 6.3268 7.1832 7.1832 9.5246 9.5246 10.4832 10.4832 10.5089 10.5089 13.7171 13.7171 14.9871 14.9871 k = 0.3333 0.5774 0.7336 ( 5040 PWs) bands (ev): -75.6083 -75.6083 -44.4685 -44.4685 -40.0789 -40.0789 -39.9308 -39.9308 -37.4626 -37.4626 -37.4626 -37.4626 4.7680 4.7680 4.9060 4.9060 6.0186 6.0186 6.3287 6.3287 7.1923 7.1923 9.5925 9.5925 10.4991 10.4991 10.5236 10.5236 13.6348 13.6348 14.9631 14.9631 k = 0.3333 0.5774 0.7469 ( 5034 PWs) bands (ev): -75.6082 -75.6082 -44.4687 -44.4687 -40.0794 -40.0794 -39.9307 -39.9307 -37.4625 -37.4625 -37.4625 -37.4625 4.7636 4.7636 4.9017 4.9017 6.0196 6.0196 6.3301 6.3301 7.1989 7.1989 9.6427 9.6427 10.5107 10.5107 10.5341 10.5341 13.5741 13.5741 14.9459 14.9459 k = 0.3333 0.5774 0.7602 ( 5034 PWs) bands (ev): -75.6082 -75.6082 -44.4688 -44.4688 -40.0798 -40.0798 -39.9307 -39.9307 -37.4625 -37.4625 -37.4625 -37.4625 4.7610 4.7610 4.8991 4.8991 6.0202 6.0202 6.3310 6.3310 7.2028 7.2028 9.6737 9.6737 10.5177 10.5177 10.5405 10.5405 13.5369 13.5369 14.9355 14.9355 k = 0.3333 0.5774 0.7736 ( 5034 PWs) bands (ev): -75.6082 -75.6082 -44.4689 -44.4689 -40.0799 -40.0799 -39.9307 -39.9307 -37.4625 -37.4625 -37.4625 -37.4625 4.7601 4.7601 4.8982 4.8982 6.0204 6.0204 6.3313 6.3313 7.2041 7.2041 9.6841 9.6841 10.5201 10.5201 10.5426 10.5426 13.5244 13.5244 14.9320 14.9320 Writing output data file Li2Pd.save init_run : 0.18s CPU 0.32s WALL ( 1 calls) electrons : 81.00s CPU 82.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 81.00s CPU 82.50s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 419 calls) cegterg : 72.23s CPU 73.20s WALL ( 438 calls) Called by sum_band: Called by *egterg: h_psi : 47.72s CPU 49.07s WALL ( 6867 calls) s_psi : 1.30s CPU 1.25s WALL ( 6867 calls) g_psi : 0.24s CPU 0.18s WALL ( 6010 calls) cdiaghg : 22.18s CPU 21.92s WALL ( 6429 calls) cegterg:over : 2.71s CPU 2.82s WALL ( 6010 calls) cegterg:upda : 2.32s CPU 2.33s WALL ( 6010 calls) cegterg:last : 1.65s CPU 1.71s WALL ( 1276 calls) cdiaghg:chol : 1.16s CPU 1.22s WALL ( 6429 calls) cdiaghg:inve : 0.48s CPU 0.45s WALL ( 6429 calls) cdiaghg:para : 1.16s CPU 1.34s WALL ( 12858 calls) Called by h_psi: h_psi:vloc : 44.30s CPU 45.62s WALL ( 6867 calls) h_psi:vnl : 3.25s CPU 3.31s WALL ( 6867 calls) add_vuspsi : 1.65s CPU 1.60s WALL ( 6867 calls) General routines calbec : 1.59s CPU 1.69s WALL ( 6867 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 41.10s CPU 42.45s WALL ( 511680 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.20s WALL ( 838 calls) Parallel routines fft_scatter : 15.34s CPU 15.93s WALL ( 511703 calls) PWSCF : 1m34.96s CPU 1m47.45s WALL This run was terminated on: 20:18: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=