Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 7:36 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: ./Ge.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 6 4 1 140 76 14 Max 7 5 3 147 91 22 Sum 241 163 61 5179 2961 603 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.4972 a.u. unit-cell volume = 242.3319 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 20.0000 Ry charge density cutoff = 116.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.497213 celldm(2)= 1.000000 celldm(3)= 1.684428 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.684428 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.593673 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8422138 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8422138 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8422138 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8422138 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8422138 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8422138 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8422138 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8422138 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8422138 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8422138 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8422138 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8422138 ) 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= 450 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 2) = ( 0.0079365 0.0045821 -0.0000000), wk = 0.0022222 k( 3) = ( 0.0158730 0.0091643 -0.0000000), wk = 0.0022222 k( 4) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0022222 k( 5) = ( 0.0317460 0.0183286 -0.0000000), wk = 0.0022222 k( 6) = ( 0.0396825 0.0229107 -0.0000000), wk = 0.0022222 k( 7) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0022222 k( 8) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0022222 k( 9) = ( 0.0634921 0.0366572 -0.0000000), wk = 0.0022222 k( 10) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0022222 k( 11) = ( 0.0793651 0.0458215 -0.0000000), wk = 0.0022222 k( 12) = ( 0.0873016 0.0504036 -0.0000000), wk = 0.0022222 k( 13) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0022222 k( 14) = ( 0.1031746 0.0595679 -0.0000000), wk = 0.0022222 k( 15) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0022222 k( 16) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0022222 k( 17) = ( 0.1269841 0.0733143 -0.0000000), wk = 0.0022222 k( 18) = ( 0.1349206 0.0778965 -0.0000000), wk = 0.0022222 k( 19) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0022222 k( 20) = ( 0.1507937 0.0870608 -0.0000000), wk = 0.0022222 k( 21) = ( 0.1587302 0.0916429 -0.0000000), wk = 0.0022222 k( 22) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0022222 k( 23) = ( 0.1746032 0.1008072 -0.0000000), wk = 0.0022222 k( 24) = ( 0.1825397 0.1053893 -0.0000000), wk = 0.0022222 k( 25) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0022222 k( 26) = ( 0.1984127 0.1145536 -0.0000000), wk = 0.0022222 k( 27) = ( 0.2063492 0.1191358 -0.0000000), wk = 0.0022222 k( 28) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0022222 k( 29) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0022222 k( 30) = ( 0.2301587 0.1328822 -0.0000000), wk = 0.0022222 k( 31) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0022222 k( 32) = ( 0.2460317 0.1420465 -0.0000000), wk = 0.0022222 k( 33) = ( 0.2539683 0.1466286 -0.0000000), wk = 0.0022222 k( 34) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0022222 k( 35) = ( 0.2698413 0.1557929 -0.0000000), wk = 0.0022222 k( 36) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0022222 k( 37) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0022222 k( 38) = ( 0.2936508 0.1695394 -0.0000000), wk = 0.0022222 k( 39) = ( 0.3015873 0.1741215 -0.0000000), wk = 0.0022222 k( 40) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0022222 k( 41) = ( 0.3174603 0.1832858 -0.0000000), wk = 0.0022222 k( 42) = ( 0.3253968 0.1878679 -0.0000000), wk = 0.0022222 k( 43) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0022222 k( 44) = ( 0.3412698 0.1970322 -0.0000000), wk = 0.0022222 k( 45) = ( 0.3492063 0.2016144 -0.0000000), wk = 0.0022222 k( 46) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0022222 k( 47) = ( 0.3650794 0.2107787 -0.0000000), wk = 0.0022222 k( 48) = ( 0.3730159 0.2153608 -0.0000000), wk = 0.0022222 k( 49) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0022222 k( 50) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0022222 k( 51) = ( 0.3968254 0.2291073 -0.0000000), wk = 0.0022222 k( 52) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0022222 k( 53) = ( 0.4126984 0.2382715 -0.0000000), wk = 0.0022222 k( 54) = ( 0.4206349 0.2428537 -0.0000000), wk = 0.0022222 k( 55) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0022222 k( 56) = ( 0.4365079 0.2520180 -0.0000000), wk = 0.0022222 k( 57) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0022222 k( 58) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0022222 k( 59) = ( 0.4603175 0.2657644 -0.0000000), wk = 0.0022222 k( 60) = ( 0.4682540 0.2703466 -0.0000000), wk = 0.0022222 k( 61) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0022222 k( 62) = ( 0.4841270 0.2795108 -0.0000000), wk = 0.0022222 k( 63) = ( 0.4920635 0.2840930 -0.0000000), wk = 0.0022222 k( 64) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022222 k( 65) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022222 k( 66) = ( 0.4953704 0.2966939 -0.0000000), wk = 0.0022222 k( 67) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0022222 k( 68) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0022222 k( 69) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0022222 k( 70) = ( 0.4768519 0.3287689 -0.0000000), wk = 0.0022222 k( 71) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0022222 k( 72) = ( 0.4675926 0.3448064 -0.0000000), wk = 0.0022222 k( 73) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0022222 k( 74) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0022222 k( 75) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0022222 k( 76) = ( 0.4490741 0.3768814 -0.0000000), wk = 0.0022222 k( 77) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0022222 k( 78) = ( 0.4398148 0.3929189 -0.0000000), wk = 0.0022222 k( 79) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0022222 k( 80) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0022222 k( 81) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0022222 k( 82) = ( 0.4212963 0.4249940 -0.0000000), wk = 0.0022222 k( 83) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0022222 k( 84) = ( 0.4120370 0.4410315 -0.0000000), wk = 0.0022222 k( 85) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0022222 k( 86) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0022222 k( 87) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0022222 k( 88) = ( 0.3935185 0.4731065 -0.0000000), wk = 0.0022222 k( 89) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0022222 k( 90) = ( 0.3842593 0.4891440 -0.0000000), wk = 0.0022222 k( 91) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0022222 k( 92) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0022222 k( 93) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0022222 k( 94) = ( 0.3657407 0.5212190 -0.0000000), wk = 0.0022222 k( 95) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0022222 k( 96) = ( 0.3564815 0.5372565 -0.0000000), wk = 0.0022222 k( 97) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0022222 k( 98) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0022222 k( 99) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0022222 k( 100) = ( 0.3379630 0.5693315 -0.0000000), wk = 0.0022222 k( 101) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022222 k( 102) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022222 k( 103) = ( 0.3287037 0.5693315 -0.0000000), wk = 0.0022222 k( 104) = ( 0.3240741 0.5613128 -0.0000000), wk = 0.0022222 k( 105) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0022222 k( 106) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0022222 k( 107) = ( 0.3101852 0.5372565 -0.0000000), wk = 0.0022222 k( 108) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0022222 k( 109) = ( 0.3009259 0.5212190 -0.0000000), wk = 0.0022222 k( 110) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0022222 k( 111) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0022222 k( 112) = ( 0.2870370 0.4971627 -0.0000000), wk = 0.0022222 k( 113) = ( 0.2824074 0.4891440 -0.0000000), wk = 0.0022222 k( 114) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0022222 k( 115) = ( 0.2731481 0.4731065 -0.0000000), wk = 0.0022222 k( 116) = ( 0.2685185 0.4650877 -0.0000000), wk = 0.0022222 k( 117) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0022222 k( 118) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0022222 k( 119) = ( 0.2546296 0.4410315 -0.0000000), wk = 0.0022222 k( 120) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0022222 k( 121) = ( 0.2453704 0.4249939 -0.0000000), wk = 0.0022222 k( 122) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0022222 k( 123) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0022222 k( 124) = ( 0.2314815 0.4009377 -0.0000000), wk = 0.0022222 k( 125) = ( 0.2268518 0.3929189 -0.0000000), wk = 0.0022222 k( 126) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0022222 k( 127) = ( 0.2175926 0.3768814 -0.0000000), wk = 0.0022222 k( 128) = ( 0.2129630 0.3688627 -0.0000000), wk = 0.0022222 k( 129) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0022222 k( 130) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0022222 k( 131) = ( 0.1990741 0.3448064 -0.0000000), wk = 0.0022222 k( 132) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0022222 k( 133) = ( 0.1898148 0.3287689 -0.0000000), wk = 0.0022222 k( 134) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0022222 k( 135) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0022222 k( 136) = ( 0.1759259 0.3047126 -0.0000000), wk = 0.0022222 k( 137) = ( 0.1712963 0.2966939 -0.0000000), wk = 0.0022222 k( 138) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0022222 k( 139) = ( 0.1620370 0.2806564 -0.0000000), wk = 0.0022222 k( 140) = ( 0.1574074 0.2726376 -0.0000000), wk = 0.0022222 k( 141) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0022222 k( 142) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0022222 k( 143) = ( 0.1435185 0.2485814 -0.0000000), wk = 0.0022222 k( 144) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0022222 k( 145) = ( 0.1342593 0.2325439 -0.0000000), wk = 0.0022222 k( 146) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0022222 k( 147) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0022222 k( 148) = ( 0.1203704 0.2084876 -0.0000000), wk = 0.0022222 k( 149) = ( 0.1157407 0.2004688 -0.0000000), wk = 0.0022222 k( 150) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0022222 k( 151) = ( 0.1064815 0.1844313 -0.0000000), wk = 0.0022222 k( 152) = ( 0.1018518 0.1764126 -0.0000000), wk = 0.0022222 k( 153) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0022222 k( 154) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0022222 k( 155) = ( 0.0879630 0.1523563 -0.0000000), wk = 0.0022222 k( 156) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0022222 k( 157) = ( 0.0787037 0.1363188 -0.0000000), wk = 0.0022222 k( 158) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0022222 k( 159) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0022222 k( 160) = ( 0.0648148 0.1122625 -0.0000000), wk = 0.0022222 k( 161) = ( 0.0601852 0.1042438 -0.0000000), wk = 0.0022222 k( 162) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0022222 k( 163) = ( 0.0509259 0.0882063 -0.0000000), wk = 0.0022222 k( 164) = ( 0.0462963 0.0801875 -0.0000000), wk = 0.0022222 k( 165) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0022222 k( 166) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0022222 k( 167) = ( 0.0324074 0.0561313 -0.0000000), wk = 0.0022222 k( 168) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0022222 k( 169) = ( 0.0231481 0.0400938 -0.0000000), wk = 0.0022222 k( 170) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0022222 k( 171) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0022222 k( 172) = ( 0.0092593 0.0160375 -0.0000000), wk = 0.0022222 k( 173) = ( 0.0046296 0.0080188 -0.0000000), wk = 0.0022222 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 176) = ( 0.0000000 0.0000000 0.0089951), wk = 0.0022222 k( 177) = ( 0.0000000 0.0000000 0.0179901), wk = 0.0022222 k( 178) = ( 0.0000000 0.0000000 0.0269852), wk = 0.0022222 k( 179) = ( 0.0000000 0.0000000 0.0359802), wk = 0.0022222 k( 180) = ( 0.0000000 0.0000000 0.0449753), wk = 0.0022222 k( 181) = ( 0.0000000 0.0000000 0.0539703), wk = 0.0022222 k( 182) = ( 0.0000000 0.0000000 0.0629654), wk = 0.0022222 k( 183) = ( 0.0000000 0.0000000 0.0719604), wk = 0.0022222 k( 184) = ( 0.0000000 0.0000000 0.0809555), wk = 0.0022222 k( 185) = ( 0.0000000 0.0000000 0.0899505), wk = 0.0022222 k( 186) = ( 0.0000000 0.0000000 0.0989456), wk = 0.0022222 k( 187) = ( 0.0000000 0.0000000 0.1079406), wk = 0.0022222 k( 188) = ( 0.0000000 0.0000000 0.1169357), wk = 0.0022222 k( 189) = ( 0.0000000 0.0000000 0.1259307), wk = 0.0022222 k( 190) = ( 0.0000000 0.0000000 0.1349258), wk = 0.0022222 k( 191) = ( 0.0000000 0.0000000 0.1439208), wk = 0.0022222 k( 192) = ( 0.0000000 0.0000000 0.1529159), wk = 0.0022222 k( 193) = ( 0.0000000 0.0000000 0.1619109), wk = 0.0022222 k( 194) = ( 0.0000000 0.0000000 0.1709060), wk = 0.0022222 k( 195) = ( 0.0000000 0.0000000 0.1799010), wk = 0.0022222 k( 196) = ( 0.0000000 0.0000000 0.1888961), wk = 0.0022222 k( 197) = ( 0.0000000 0.0000000 0.1978912), wk = 0.0022222 k( 198) = ( 0.0000000 0.0000000 0.2068862), wk = 0.0022222 k( 199) = ( 0.0000000 0.0000000 0.2158813), wk = 0.0022222 k( 200) = ( 0.0000000 0.0000000 0.2248763), wk = 0.0022222 k( 201) = ( 0.0000000 0.0000000 0.2338714), wk = 0.0022222 k( 202) = ( 0.0000000 0.0000000 0.2428664), wk = 0.0022222 k( 203) = ( 0.0000000 0.0000000 0.2518615), wk = 0.0022222 k( 204) = ( 0.0000000 0.0000000 0.2608565), wk = 0.0022222 k( 205) = ( 0.0000000 0.0000000 0.2698516), wk = 0.0022222 k( 206) = ( 0.0000000 0.0000000 0.2788466), wk = 0.0022222 k( 207) = ( 0.0000000 0.0000000 0.2878417), wk = 0.0022222 k( 208) = ( 0.0000000 0.0000000 0.2968367), wk = 0.0022222 k( 209) = ( 0.0000000 0.0000000 0.2968367), wk = 0.0022222 k( 210) = ( 0.0079365 0.0045821 0.2968367), wk = 0.0022222 k( 211) = ( 0.0158730 0.0091643 0.2968367), wk = 0.0022222 k( 212) = ( 0.0238095 0.0137464 0.2968367), wk = 0.0022222 k( 213) = ( 0.0317460 0.0183286 0.2968367), wk = 0.0022222 k( 214) = ( 0.0396825 0.0229107 0.2968367), wk = 0.0022222 k( 215) = ( 0.0476191 0.0274929 0.2968367), wk = 0.0022222 k( 216) = ( 0.0555556 0.0320750 0.2968367), wk = 0.0022222 k( 217) = ( 0.0634921 0.0366572 0.2968367), wk = 0.0022222 k( 218) = ( 0.0714286 0.0412393 0.2968367), wk = 0.0022222 k( 219) = ( 0.0793651 0.0458215 0.2968367), wk = 0.0022222 k( 220) = ( 0.0873016 0.0504036 0.2968367), wk = 0.0022222 k( 221) = ( 0.0952381 0.0549857 0.2968367), wk = 0.0022222 k( 222) = ( 0.1031746 0.0595679 0.2968367), wk = 0.0022222 k( 223) = ( 0.1111111 0.0641500 0.2968367), wk = 0.0022222 k( 224) = ( 0.1190476 0.0687322 0.2968367), wk = 0.0022222 k( 225) = ( 0.1269841 0.0733143 0.2968367), wk = 0.0022222 k( 226) = ( 0.1349206 0.0778965 0.2968367), wk = 0.0022222 k( 227) = ( 0.1428571 0.0824786 0.2968367), wk = 0.0022222 k( 228) = ( 0.1507937 0.0870608 0.2968367), wk = 0.0022222 k( 229) = ( 0.1587302 0.0916429 0.2968367), wk = 0.0022222 k( 230) = ( 0.1666667 0.0962250 0.2968367), wk = 0.0022222 k( 231) = ( 0.1746032 0.1008072 0.2968367), wk = 0.0022222 k( 232) = ( 0.1825397 0.1053893 0.2968367), wk = 0.0022222 k( 233) = ( 0.1904762 0.1099715 0.2968367), wk = 0.0022222 k( 234) = ( 0.1984127 0.1145536 0.2968367), wk = 0.0022222 k( 235) = ( 0.2063492 0.1191358 0.2968367), wk = 0.0022222 k( 236) = ( 0.2142857 0.1237179 0.2968367), wk = 0.0022222 k( 237) = ( 0.2222222 0.1283001 0.2968367), wk = 0.0022222 k( 238) = ( 0.2301587 0.1328822 0.2968367), wk = 0.0022222 k( 239) = ( 0.2380952 0.1374644 0.2968367), wk = 0.0022222 k( 240) = ( 0.2460317 0.1420465 0.2968367), wk = 0.0022222 k( 241) = ( 0.2539683 0.1466286 0.2968367), wk = 0.0022222 k( 242) = ( 0.2619048 0.1512108 0.2968367), wk = 0.0022222 k( 243) = ( 0.2698413 0.1557929 0.2968367), wk = 0.0022222 k( 244) = ( 0.2777778 0.1603751 0.2968367), wk = 0.0022222 k( 245) = ( 0.2857143 0.1649572 0.2968367), wk = 0.0022222 k( 246) = ( 0.2936508 0.1695394 0.2968367), wk = 0.0022222 k( 247) = ( 0.3015873 0.1741215 0.2968367), wk = 0.0022222 k( 248) = ( 0.3095238 0.1787037 0.2968367), wk = 0.0022222 k( 249) = ( 0.3174603 0.1832858 0.2968367), wk = 0.0022222 k( 250) = ( 0.3253968 0.1878679 0.2968367), wk = 0.0022222 k( 251) = ( 0.3333333 0.1924501 0.2968367), wk = 0.0022222 k( 252) = ( 0.3412698 0.1970322 0.2968367), wk = 0.0022222 k( 253) = ( 0.3492063 0.2016144 0.2968367), wk = 0.0022222 k( 254) = ( 0.3571429 0.2061965 0.2968367), wk = 0.0022222 k( 255) = ( 0.3650794 0.2107787 0.2968367), wk = 0.0022222 k( 256) = ( 0.3730159 0.2153608 0.2968367), wk = 0.0022222 k( 257) = ( 0.3809524 0.2199430 0.2968367), wk = 0.0022222 k( 258) = ( 0.3888889 0.2245251 0.2968367), wk = 0.0022222 k( 259) = ( 0.3968254 0.2291073 0.2968367), wk = 0.0022222 k( 260) = ( 0.4047619 0.2336894 0.2968367), wk = 0.0022222 k( 261) = ( 0.4126984 0.2382715 0.2968367), wk = 0.0022222 k( 262) = ( 0.4206349 0.2428537 0.2968367), wk = 0.0022222 k( 263) = ( 0.4285714 0.2474358 0.2968367), wk = 0.0022222 k( 264) = ( 0.4365079 0.2520180 0.2968367), wk = 0.0022222 k( 265) = ( 0.4444444 0.2566001 0.2968367), wk = 0.0022222 k( 266) = ( 0.4523810 0.2611823 0.2968367), wk = 0.0022222 k( 267) = ( 0.4603175 0.2657644 0.2968367), wk = 0.0022222 k( 268) = ( 0.4682540 0.2703466 0.2968367), wk = 0.0022222 k( 269) = ( 0.4761905 0.2749287 0.2968367), wk = 0.0022222 k( 270) = ( 0.4841270 0.2795108 0.2968367), wk = 0.0022222 k( 271) = ( 0.4920635 0.2840930 0.2968367), wk = 0.0022222 k( 272) = ( 0.5000000 0.2886751 0.2968367), wk = 0.0022222 k( 273) = ( 0.5000000 0.2886751 0.2968367), wk = 0.0022222 k( 274) = ( 0.4953704 0.2966939 0.2968367), wk = 0.0022222 k( 275) = ( 0.4907407 0.3047126 0.2968367), wk = 0.0022222 k( 276) = ( 0.4861111 0.3127314 0.2968367), wk = 0.0022222 k( 277) = ( 0.4814815 0.3207502 0.2968367), wk = 0.0022222 k( 278) = ( 0.4768519 0.3287689 0.2968367), wk = 0.0022222 k( 279) = ( 0.4722222 0.3367877 0.2968367), wk = 0.0022222 k( 280) = ( 0.4675926 0.3448064 0.2968367), wk = 0.0022222 k( 281) = ( 0.4629630 0.3528252 0.2968367), wk = 0.0022222 k( 282) = ( 0.4583333 0.3608439 0.2968367), wk = 0.0022222 k( 283) = ( 0.4537037 0.3688627 0.2968367), wk = 0.0022222 k( 284) = ( 0.4490741 0.3768814 0.2968367), wk = 0.0022222 k( 285) = ( 0.4444444 0.3849002 0.2968367), wk = 0.0022222 k( 286) = ( 0.4398148 0.3929189 0.2968367), wk = 0.0022222 k( 287) = ( 0.4351852 0.4009377 0.2968367), wk = 0.0022222 k( 288) = ( 0.4305556 0.4089564 0.2968367), wk = 0.0022222 k( 289) = ( 0.4259259 0.4169752 0.2968367), wk = 0.0022222 k( 290) = ( 0.4212963 0.4249940 0.2968367), wk = 0.0022222 k( 291) = ( 0.4166667 0.4330127 0.2968367), wk = 0.0022222 k( 292) = ( 0.4120370 0.4410315 0.2968367), wk = 0.0022222 k( 293) = ( 0.4074074 0.4490502 0.2968367), wk = 0.0022222 k( 294) = ( 0.4027778 0.4570690 0.2968367), wk = 0.0022222 k( 295) = ( 0.3981481 0.4650877 0.2968367), wk = 0.0022222 k( 296) = ( 0.3935185 0.4731065 0.2968367), wk = 0.0022222 k( 297) = ( 0.3888889 0.4811252 0.2968367), wk = 0.0022222 k( 298) = ( 0.3842593 0.4891440 0.2968367), wk = 0.0022222 k( 299) = ( 0.3796296 0.4971627 0.2968367), wk = 0.0022222 k( 300) = ( 0.3750000 0.5051815 0.2968367), wk = 0.0022222 k( 301) = ( 0.3703704 0.5132002 0.2968367), wk = 0.0022222 k( 302) = ( 0.3657407 0.5212190 0.2968367), wk = 0.0022222 k( 303) = ( 0.3611111 0.5292377 0.2968367), wk = 0.0022222 k( 304) = ( 0.3564815 0.5372565 0.2968367), wk = 0.0022222 k( 305) = ( 0.3518519 0.5452753 0.2968367), wk = 0.0022222 k( 306) = ( 0.3472222 0.5532940 0.2968367), wk = 0.0022222 k( 307) = ( 0.3425926 0.5613128 0.2968367), wk = 0.0022222 k( 308) = ( 0.3379630 0.5693315 0.2968367), wk = 0.0022222 k( 309) = ( 0.3333333 0.5773503 0.2968367), wk = 0.0022222 k( 310) = ( 0.3333333 0.5773503 0.2968367), wk = 0.0022222 k( 311) = ( 0.3287037 0.5693315 0.2968367), wk = 0.0022222 k( 312) = ( 0.3240741 0.5613128 0.2968367), wk = 0.0022222 k( 313) = ( 0.3194444 0.5532940 0.2968367), wk = 0.0022222 k( 314) = ( 0.3148148 0.5452752 0.2968367), wk = 0.0022222 k( 315) = ( 0.3101852 0.5372565 0.2968367), wk = 0.0022222 k( 316) = ( 0.3055556 0.5292378 0.2968367), wk = 0.0022222 k( 317) = ( 0.3009259 0.5212190 0.2968367), wk = 0.0022222 k( 318) = ( 0.2962963 0.5132002 0.2968367), wk = 0.0022222 k( 319) = ( 0.2916667 0.5051815 0.2968367), wk = 0.0022222 k( 320) = ( 0.2870370 0.4971627 0.2968367), wk = 0.0022222 k( 321) = ( 0.2824074 0.4891440 0.2968367), wk = 0.0022222 k( 322) = ( 0.2777778 0.4811252 0.2968367), wk = 0.0022222 k( 323) = ( 0.2731481 0.4731065 0.2968367), wk = 0.0022222 k( 324) = ( 0.2685185 0.4650877 0.2968367), wk = 0.0022222 k( 325) = ( 0.2638889 0.4570690 0.2968367), wk = 0.0022222 k( 326) = ( 0.2592593 0.4490502 0.2968367), wk = 0.0022222 k( 327) = ( 0.2546296 0.4410315 0.2968367), wk = 0.0022222 k( 328) = ( 0.2500000 0.4330127 0.2968367), wk = 0.0022222 k( 329) = ( 0.2453704 0.4249939 0.2968367), wk = 0.0022222 k( 330) = ( 0.2407407 0.4169752 0.2968367), wk = 0.0022222 k( 331) = ( 0.2361111 0.4089564 0.2968367), wk = 0.0022222 k( 332) = ( 0.2314815 0.4009377 0.2968367), wk = 0.0022222 k( 333) = ( 0.2268518 0.3929189 0.2968367), wk = 0.0022222 k( 334) = ( 0.2222222 0.3849002 0.2968367), wk = 0.0022222 k( 335) = ( 0.2175926 0.3768814 0.2968367), wk = 0.0022222 k( 336) = ( 0.2129630 0.3688627 0.2968367), wk = 0.0022222 k( 337) = ( 0.2083333 0.3608439 0.2968367), wk = 0.0022222 k( 338) = ( 0.2037037 0.3528252 0.2968367), wk = 0.0022222 k( 339) = ( 0.1990741 0.3448064 0.2968367), wk = 0.0022222 k( 340) = ( 0.1944444 0.3367876 0.2968367), wk = 0.0022222 k( 341) = ( 0.1898148 0.3287689 0.2968367), wk = 0.0022222 k( 342) = ( 0.1851852 0.3207502 0.2968367), wk = 0.0022222 k( 343) = ( 0.1805556 0.3127314 0.2968367), wk = 0.0022222 k( 344) = ( 0.1759259 0.3047126 0.2968367), wk = 0.0022222 k( 345) = ( 0.1712963 0.2966939 0.2968367), wk = 0.0022222 k( 346) = ( 0.1666667 0.2886751 0.2968367), wk = 0.0022222 k( 347) = ( 0.1620370 0.2806564 0.2968367), wk = 0.0022222 k( 348) = ( 0.1574074 0.2726376 0.2968367), wk = 0.0022222 k( 349) = ( 0.1527778 0.2646189 0.2968367), wk = 0.0022222 k( 350) = ( 0.1481482 0.2566001 0.2968367), wk = 0.0022222 k( 351) = ( 0.1435185 0.2485814 0.2968367), wk = 0.0022222 k( 352) = ( 0.1388889 0.2405626 0.2968367), wk = 0.0022222 k( 353) = ( 0.1342593 0.2325439 0.2968367), wk = 0.0022222 k( 354) = ( 0.1296296 0.2245251 0.2968367), wk = 0.0022222 k( 355) = ( 0.1250000 0.2165064 0.2968367), wk = 0.0022222 k( 356) = ( 0.1203704 0.2084876 0.2968367), wk = 0.0022222 k( 357) = ( 0.1157407 0.2004688 0.2968367), wk = 0.0022222 k( 358) = ( 0.1111111 0.1924501 0.2968367), wk = 0.0022222 k( 359) = ( 0.1064815 0.1844313 0.2968367), wk = 0.0022222 k( 360) = ( 0.1018518 0.1764126 0.2968367), wk = 0.0022222 k( 361) = ( 0.0972222 0.1683938 0.2968367), wk = 0.0022222 k( 362) = ( 0.0925926 0.1603751 0.2968367), wk = 0.0022222 k( 363) = ( 0.0879630 0.1523563 0.2968367), wk = 0.0022222 k( 364) = ( 0.0833333 0.1443376 0.2968367), wk = 0.0022222 k( 365) = ( 0.0787037 0.1363188 0.2968367), wk = 0.0022222 k( 366) = ( 0.0740741 0.1283001 0.2968367), wk = 0.0022222 k( 367) = ( 0.0694444 0.1202813 0.2968367), wk = 0.0022222 k( 368) = ( 0.0648148 0.1122625 0.2968367), wk = 0.0022222 k( 369) = ( 0.0601852 0.1042438 0.2968367), wk = 0.0022222 k( 370) = ( 0.0555556 0.0962251 0.2968367), wk = 0.0022222 k( 371) = ( 0.0509259 0.0882063 0.2968367), wk = 0.0022222 k( 372) = ( 0.0462963 0.0801875 0.2968367), wk = 0.0022222 k( 373) = ( 0.0416667 0.0721688 0.2968367), wk = 0.0022222 k( 374) = ( 0.0370370 0.0641500 0.2968367), wk = 0.0022222 k( 375) = ( 0.0324074 0.0561313 0.2968367), wk = 0.0022222 k( 376) = ( 0.0277778 0.0481125 0.2968367), wk = 0.0022222 k( 377) = ( 0.0231481 0.0400938 0.2968367), wk = 0.0022222 k( 378) = ( 0.0185185 0.0320750 0.2968367), wk = 0.0022222 k( 379) = ( 0.0138889 0.0240563 0.2968367), wk = 0.0022222 k( 380) = ( 0.0092593 0.0160375 0.2968367), wk = 0.0022222 k( 381) = ( 0.0046296 0.0080188 0.2968367), wk = 0.0022222 k( 382) = ( 0.0000000 0.0000000 0.2968367), wk = 0.0022222 k( 383) = ( 0.5000000 0.2886751 0.2968367), wk = 0.0022222 k( 384) = ( 0.5000000 0.2886751 0.2878417), wk = 0.0022222 k( 385) = ( 0.5000000 0.2886751 0.2788466), wk = 0.0022222 k( 386) = ( 0.5000000 0.2886751 0.2698516), wk = 0.0022222 k( 387) = ( 0.5000000 0.2886751 0.2608565), wk = 0.0022222 k( 388) = ( 0.5000000 0.2886751 0.2518615), wk = 0.0022222 k( 389) = ( 0.5000000 0.2886751 0.2428664), wk = 0.0022222 k( 390) = ( 0.5000000 0.2886751 0.2338714), wk = 0.0022222 k( 391) = ( 0.5000000 0.2886751 0.2248763), wk = 0.0022222 k( 392) = ( 0.5000000 0.2886751 0.2158813), wk = 0.0022222 k( 393) = ( 0.5000000 0.2886751 0.2068862), wk = 0.0022222 k( 394) = ( 0.5000000 0.2886751 0.1978912), wk = 0.0022222 k( 395) = ( 0.5000000 0.2886751 0.1888961), wk = 0.0022222 k( 396) = ( 0.5000000 0.2886751 0.1799010), wk = 0.0022222 k( 397) = ( 0.5000000 0.2886751 0.1709060), wk = 0.0022222 k( 398) = ( 0.5000000 0.2886751 0.1619109), wk = 0.0022222 k( 399) = ( 0.5000000 0.2886751 0.1529159), wk = 0.0022222 k( 400) = ( 0.5000000 0.2886751 0.1439208), wk = 0.0022222 k( 401) = ( 0.5000000 0.2886751 0.1349258), wk = 0.0022222 k( 402) = ( 0.5000000 0.2886751 0.1259307), wk = 0.0022222 k( 403) = ( 0.5000000 0.2886751 0.1169357), wk = 0.0022222 k( 404) = ( 0.5000000 0.2886751 0.1079406), wk = 0.0022222 k( 405) = ( 0.5000000 0.2886751 0.0989456), wk = 0.0022222 k( 406) = ( 0.5000000 0.2886751 0.0899505), wk = 0.0022222 k( 407) = ( 0.5000000 0.2886751 0.0809555), wk = 0.0022222 k( 408) = ( 0.5000000 0.2886751 0.0719604), wk = 0.0022222 k( 409) = ( 0.5000000 0.2886751 0.0629654), wk = 0.0022222 k( 410) = ( 0.5000000 0.2886751 0.0539703), wk = 0.0022222 k( 411) = ( 0.5000000 0.2886751 0.0449753), wk = 0.0022222 k( 412) = ( 0.5000000 0.2886751 0.0359802), wk = 0.0022222 k( 413) = ( 0.5000000 0.2886751 0.0269852), wk = 0.0022222 k( 414) = ( 0.5000000 0.2886751 0.0179901), wk = 0.0022222 k( 415) = ( 0.5000000 0.2886751 0.0089951), wk = 0.0022222 k( 416) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022222 k( 417) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022222 k( 418) = ( 0.3333333 0.5773503 0.0089951), wk = 0.0022222 k( 419) = ( 0.3333333 0.5773503 0.0179901), wk = 0.0022222 k( 420) = ( 0.3333333 0.5773503 0.0269852), wk = 0.0022222 k( 421) = ( 0.3333333 0.5773503 0.0359802), wk = 0.0022222 k( 422) = ( 0.3333333 0.5773503 0.0449753), wk = 0.0022222 k( 423) = ( 0.3333333 0.5773503 0.0539703), wk = 0.0022222 k( 424) = ( 0.3333333 0.5773503 0.0629654), wk = 0.0022222 k( 425) = ( 0.3333333 0.5773503 0.0719604), wk = 0.0022222 k( 426) = ( 0.3333333 0.5773503 0.0809555), wk = 0.0022222 k( 427) = ( 0.3333333 0.5773503 0.0899505), wk = 0.0022222 k( 428) = ( 0.3333333 0.5773503 0.0989456), wk = 0.0022222 k( 429) = ( 0.3333333 0.5773503 0.1079406), wk = 0.0022222 k( 430) = ( 0.3333333 0.5773503 0.1169357), wk = 0.0022222 k( 431) = ( 0.3333333 0.5773503 0.1259307), wk = 0.0022222 k( 432) = ( 0.3333333 0.5773503 0.1349258), wk = 0.0022222 k( 433) = ( 0.3333333 0.5773503 0.1439208), wk = 0.0022222 k( 434) = ( 0.3333333 0.5773503 0.1529159), wk = 0.0022222 k( 435) = ( 0.3333333 0.5773503 0.1619109), wk = 0.0022222 k( 436) = ( 0.3333333 0.5773503 0.1709060), wk = 0.0022222 k( 437) = ( 0.3333333 0.5773503 0.1799010), wk = 0.0022222 k( 438) = ( 0.3333333 0.5773503 0.1888961), wk = 0.0022222 k( 439) = ( 0.3333333 0.5773503 0.1978912), wk = 0.0022222 k( 440) = ( 0.3333333 0.5773503 0.2068862), wk = 0.0022222 k( 441) = ( 0.3333333 0.5773503 0.2158813), wk = 0.0022222 k( 442) = ( 0.3333333 0.5773503 0.2248763), wk = 0.0022222 k( 443) = ( 0.3333333 0.5773503 0.2338714), wk = 0.0022222 k( 444) = ( 0.3333333 0.5773503 0.2428664), wk = 0.0022222 k( 445) = ( 0.3333333 0.5773503 0.2518615), wk = 0.0022222 k( 446) = ( 0.3333333 0.5773503 0.2608565), wk = 0.0022222 k( 447) = ( 0.3333333 0.5773503 0.2698516), wk = 0.0022222 k( 448) = ( 0.3333333 0.5773503 0.2788466), wk = 0.0022222 k( 449) = ( 0.3333333 0.5773503 0.2878417), wk = 0.0022222 k( 450) = ( 0.3333333 0.5773503 0.2968367), wk = 0.0022222 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 2) = ( 0.0079365 0.0000000 -0.0000000), wk = 0.0022222 k( 3) = ( 0.0158730 0.0000000 -0.0000000), wk = 0.0022222 k( 4) = ( 0.0238095 0.0000000 -0.0000000), wk = 0.0022222 k( 5) = ( 0.0317460 0.0000000 -0.0000000), wk = 0.0022222 k( 6) = ( 0.0396825 -0.0000000 -0.0000000), wk = 0.0022222 k( 7) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0022222 k( 8) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0022222 k( 9) = ( 0.0634921 0.0000000 -0.0000000), wk = 0.0022222 k( 10) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0022222 k( 11) = ( 0.0793651 -0.0000000 -0.0000000), wk = 0.0022222 k( 12) = ( 0.0873016 0.0000000 -0.0000000), wk = 0.0022222 k( 13) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0022222 k( 14) = ( 0.1031746 -0.0000000 -0.0000000), wk = 0.0022222 k( 15) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0022222 k( 16) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0022222 k( 17) = ( 0.1269841 0.0000000 -0.0000000), wk = 0.0022222 k( 18) = ( 0.1349206 0.0000000 -0.0000000), wk = 0.0022222 k( 19) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0022222 k( 20) = ( 0.1507937 0.0000000 -0.0000000), wk = 0.0022222 k( 21) = ( 0.1587302 -0.0000000 -0.0000000), wk = 0.0022222 k( 22) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0022222 k( 23) = ( 0.1746032 0.0000000 -0.0000000), wk = 0.0022222 k( 24) = ( 0.1825397 -0.0000000 -0.0000000), wk = 0.0022222 k( 25) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0022222 k( 26) = ( 0.1984127 -0.0000000 -0.0000000), wk = 0.0022222 k( 27) = ( 0.2063492 -0.0000000 -0.0000000), wk = 0.0022222 k( 28) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0022222 k( 29) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0022222 k( 30) = ( 0.2301587 -0.0000000 -0.0000000), wk = 0.0022222 k( 31) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0022222 k( 32) = ( 0.2460317 -0.0000000 -0.0000000), wk = 0.0022222 k( 33) = ( 0.2539683 0.0000000 -0.0000000), wk = 0.0022222 k( 34) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0022222 k( 35) = ( 0.2698413 -0.0000000 -0.0000000), wk = 0.0022222 k( 36) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0022222 k( 37) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0022222 k( 38) = ( 0.2936508 -0.0000000 -0.0000000), wk = 0.0022222 k( 39) = ( 0.3015873 0.0000000 -0.0000000), wk = 0.0022222 k( 40) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0022222 k( 41) = ( 0.3174603 -0.0000000 -0.0000000), wk = 0.0022222 k( 42) = ( 0.3253968 -0.0000000 -0.0000000), wk = 0.0022222 k( 43) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0022222 k( 44) = ( 0.3412698 -0.0000000 -0.0000000), wk = 0.0022222 k( 45) = ( 0.3492063 -0.0000000 -0.0000000), wk = 0.0022222 k( 46) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0022222 k( 47) = ( 0.3650794 0.0000000 -0.0000000), wk = 0.0022222 k( 48) = ( 0.3730159 0.0000000 -0.0000000), wk = 0.0022222 k( 49) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0022222 k( 50) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0022222 k( 51) = ( 0.3968254 -0.0000000 -0.0000000), wk = 0.0022222 k( 52) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0022222 k( 53) = ( 0.4126984 -0.0000000 -0.0000000), wk = 0.0022222 k( 54) = ( 0.4206349 -0.0000000 -0.0000000), wk = 0.0022222 k( 55) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0022222 k( 56) = ( 0.4365079 -0.0000000 -0.0000000), wk = 0.0022222 k( 57) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0022222 k( 58) = ( 0.4523810 0.0000000 -0.0000000), wk = 0.0022222 k( 59) = ( 0.4603175 -0.0000000 -0.0000000), wk = 0.0022222 k( 60) = ( 0.4682540 -0.0000000 -0.0000000), wk = 0.0022222 k( 61) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0022222 k( 62) = ( 0.4841270 -0.0000000 -0.0000000), wk = 0.0022222 k( 63) = ( 0.4920635 -0.0000000 -0.0000000), wk = 0.0022222 k( 64) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022222 k( 65) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022222 k( 66) = ( 0.4953704 0.0092593 0.0000000), wk = 0.0022222 k( 67) = ( 0.4907407 0.0185185 0.0000000), wk = 0.0022222 k( 68) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0022222 k( 69) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0022222 k( 70) = ( 0.4768519 0.0462963 -0.0000000), wk = 0.0022222 k( 71) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0022222 k( 72) = ( 0.4675926 0.0648148 -0.0000000), wk = 0.0022222 k( 73) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0022222 k( 74) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0022222 k( 75) = ( 0.4537037 0.0925926 0.0000000), wk = 0.0022222 k( 76) = ( 0.4490741 0.1018519 -0.0000000), wk = 0.0022222 k( 77) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0022222 k( 78) = ( 0.4398148 0.1203704 -0.0000000), wk = 0.0022222 k( 79) = ( 0.4351852 0.1296296 -0.0000000), wk = 0.0022222 k( 80) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0022222 k( 81) = ( 0.4259259 0.1481482 0.0000000), wk = 0.0022222 k( 82) = ( 0.4212963 0.1574074 -0.0000000), wk = 0.0022222 k( 83) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0022222 k( 84) = ( 0.4120370 0.1759259 -0.0000000), wk = 0.0022222 k( 85) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0022222 k( 86) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0022222 k( 87) = ( 0.3981481 0.2037037 0.0000000), wk = 0.0022222 k( 88) = ( 0.3935185 0.2129630 -0.0000000), wk = 0.0022222 k( 89) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0022222 k( 90) = ( 0.3842593 0.2314815 -0.0000000), wk = 0.0022222 k( 91) = ( 0.3796296 0.2407407 0.0000000), wk = 0.0022222 k( 92) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0022222 k( 93) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0022222 k( 94) = ( 0.3657407 0.2685185 -0.0000000), wk = 0.0022222 k( 95) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0022222 k( 96) = ( 0.3564815 0.2870370 -0.0000000), wk = 0.0022222 k( 97) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0022222 k( 98) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0022222 k( 99) = ( 0.3425926 0.3148148 -0.0000000), wk = 0.0022222 k( 100) = ( 0.3379630 0.3240741 -0.0000000), wk = 0.0022222 k( 101) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022222 k( 102) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022222 k( 103) = ( 0.3287037 0.3287037 0.0000000), wk = 0.0022222 k( 104) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0022222 k( 105) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0022222 k( 106) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0022222 k( 107) = ( 0.3101852 0.3101852 -0.0000000), wk = 0.0022222 k( 108) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0022222 k( 109) = ( 0.3009259 0.3009259 -0.0000000), wk = 0.0022222 k( 110) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0022222 k( 111) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0022222 k( 112) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0022222 k( 113) = ( 0.2824074 0.2824074 -0.0000000), wk = 0.0022222 k( 114) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0022222 k( 115) = ( 0.2731481 0.2731481 -0.0000000), wk = 0.0022222 k( 116) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0022222 k( 117) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0022222 k( 118) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0022222 k( 119) = ( 0.2546296 0.2546296 0.0000000), wk = 0.0022222 k( 120) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0022222 k( 121) = ( 0.2453704 0.2453704 0.0000000), wk = 0.0022222 k( 122) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0022222 k( 123) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0022222 k( 124) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0022222 k( 125) = ( 0.2268518 0.2268519 0.0000000), wk = 0.0022222 k( 126) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0022222 k( 127) = ( 0.2175926 0.2175926 0.0000000), wk = 0.0022222 k( 128) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0022222 k( 129) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0022222 k( 130) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0022222 k( 131) = ( 0.1990741 0.1990741 0.0000000), wk = 0.0022222 k( 132) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0022222 k( 133) = ( 0.1898148 0.1898148 0.0000000), wk = 0.0022222 k( 134) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0022222 k( 135) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0022222 k( 136) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0022222 k( 137) = ( 0.1712963 0.1712963 0.0000000), wk = 0.0022222 k( 138) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0022222 k( 139) = ( 0.1620370 0.1620370 -0.0000000), wk = 0.0022222 k( 140) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0022222 k( 141) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0022222 k( 142) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0022222 k( 143) = ( 0.1435185 0.1435185 -0.0000000), wk = 0.0022222 k( 144) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0022222 k( 145) = ( 0.1342593 0.1342593 0.0000000), wk = 0.0022222 k( 146) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0022222 k( 147) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0022222 k( 148) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0022222 k( 149) = ( 0.1157407 0.1157407 -0.0000000), wk = 0.0022222 k( 150) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0022222 k( 151) = ( 0.1064815 0.1064815 0.0000000), wk = 0.0022222 k( 152) = ( 0.1018518 0.1018519 -0.0000000), wk = 0.0022222 k( 153) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0022222 k( 154) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0022222 k( 155) = ( 0.0879630 0.0879630 0.0000000), wk = 0.0022222 k( 156) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0022222 k( 157) = ( 0.0787037 0.0787037 -0.0000000), wk = 0.0022222 k( 158) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0022222 k( 159) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0022222 k( 160) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0022222 k( 161) = ( 0.0601852 0.0601852 -0.0000000), wk = 0.0022222 k( 162) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0022222 k( 163) = ( 0.0509259 0.0509259 0.0000000), wk = 0.0022222 k( 164) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0022222 k( 165) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0022222 k( 166) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0022222 k( 167) = ( 0.0324074 0.0324074 -0.0000000), wk = 0.0022222 k( 168) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0022222 k( 169) = ( 0.0231481 0.0231482 0.0000000), wk = 0.0022222 k( 170) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0022222 k( 171) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0022222 k( 172) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0022222 k( 173) = ( 0.0046296 0.0046296 -0.0000000), wk = 0.0022222 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 176) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0022222 k( 177) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0022222 k( 178) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0022222 k( 179) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0022222 k( 180) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0022222 k( 181) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0022222 k( 182) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0022222 k( 183) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0022222 k( 184) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0022222 k( 185) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0022222 k( 186) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022222 k( 187) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0022222 k( 188) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0022222 k( 189) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0022222 k( 190) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0022222 k( 191) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0022222 k( 192) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0022222 k( 193) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0022222 k( 194) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0022222 k( 195) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0022222 k( 196) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0022222 k( 197) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022222 k( 198) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0022222 k( 199) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0022222 k( 200) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0022222 k( 201) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0022222 k( 202) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0022222 k( 203) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0022222 k( 204) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0022222 k( 205) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0022222 k( 206) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0022222 k( 207) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0022222 k( 208) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022222 k( 209) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022222 k( 210) = ( 0.0079365 0.0000000 0.5000000), wk = 0.0022222 k( 211) = ( 0.0158730 0.0000000 0.5000000), wk = 0.0022222 k( 212) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0022222 k( 213) = ( 0.0317460 0.0000000 0.5000000), wk = 0.0022222 k( 214) = ( 0.0396825 -0.0000000 0.5000000), wk = 0.0022222 k( 215) = ( 0.0476191 -0.0000000 0.5000000), wk = 0.0022222 k( 216) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0022222 k( 217) = ( 0.0634921 0.0000000 0.5000000), wk = 0.0022222 k( 218) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0022222 k( 219) = ( 0.0793651 -0.0000000 0.5000000), wk = 0.0022222 k( 220) = ( 0.0873016 0.0000000 0.5000000), wk = 0.0022222 k( 221) = ( 0.0952381 -0.0000000 0.5000000), wk = 0.0022222 k( 222) = ( 0.1031746 -0.0000000 0.5000000), wk = 0.0022222 k( 223) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0022222 k( 224) = ( 0.1190476 -0.0000000 0.5000000), wk = 0.0022222 k( 225) = ( 0.1269841 0.0000000 0.5000000), wk = 0.0022222 k( 226) = ( 0.1349206 0.0000000 0.5000000), wk = 0.0022222 k( 227) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0022222 k( 228) = ( 0.1507937 0.0000000 0.5000000), wk = 0.0022222 k( 229) = ( 0.1587302 -0.0000000 0.5000000), wk = 0.0022222 k( 230) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0022222 k( 231) = ( 0.1746032 0.0000000 0.5000000), wk = 0.0022222 k( 232) = ( 0.1825397 -0.0000000 0.5000000), wk = 0.0022222 k( 233) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0022222 k( 234) = ( 0.1984127 -0.0000000 0.5000000), wk = 0.0022222 k( 235) = ( 0.2063492 -0.0000000 0.5000000), wk = 0.0022222 k( 236) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0022222 k( 237) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0022222 k( 238) = ( 0.2301587 -0.0000000 0.5000000), wk = 0.0022222 k( 239) = ( 0.2380952 -0.0000000 0.5000000), wk = 0.0022222 k( 240) = ( 0.2460317 -0.0000000 0.5000000), wk = 0.0022222 k( 241) = ( 0.2539683 0.0000000 0.5000000), wk = 0.0022222 k( 242) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0022222 k( 243) = ( 0.2698413 -0.0000000 0.5000000), wk = 0.0022222 k( 244) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0022222 k( 245) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0022222 k( 246) = ( 0.2936508 -0.0000000 0.5000000), wk = 0.0022222 k( 247) = ( 0.3015873 0.0000000 0.5000000), wk = 0.0022222 k( 248) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0022222 k( 249) = ( 0.3174603 -0.0000000 0.5000000), wk = 0.0022222 k( 250) = ( 0.3253968 -0.0000000 0.5000000), wk = 0.0022222 k( 251) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0022222 k( 252) = ( 0.3412698 -0.0000000 0.5000000), wk = 0.0022222 k( 253) = ( 0.3492063 -0.0000000 0.5000000), wk = 0.0022222 k( 254) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0022222 k( 255) = ( 0.3650794 0.0000000 0.5000000), wk = 0.0022222 k( 256) = ( 0.3730159 0.0000000 0.5000000), wk = 0.0022222 k( 257) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0022222 k( 258) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0022222 k( 259) = ( 0.3968254 -0.0000000 0.5000000), wk = 0.0022222 k( 260) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0022222 k( 261) = ( 0.4126984 -0.0000000 0.5000000), wk = 0.0022222 k( 262) = ( 0.4206349 -0.0000000 0.5000000), wk = 0.0022222 k( 263) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0022222 k( 264) = ( 0.4365079 -0.0000000 0.5000000), wk = 0.0022222 k( 265) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0022222 k( 266) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0022222 k( 267) = ( 0.4603175 -0.0000000 0.5000000), wk = 0.0022222 k( 268) = ( 0.4682540 -0.0000000 0.5000000), wk = 0.0022222 k( 269) = ( 0.4761905 -0.0000000 0.5000000), wk = 0.0022222 k( 270) = ( 0.4841270 -0.0000000 0.5000000), wk = 0.0022222 k( 271) = ( 0.4920635 -0.0000000 0.5000000), wk = 0.0022222 k( 272) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022222 k( 273) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022222 k( 274) = ( 0.4953704 0.0092593 0.5000000), wk = 0.0022222 k( 275) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0022222 k( 276) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0022222 k( 277) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0022222 k( 278) = ( 0.4768519 0.0462963 0.5000000), wk = 0.0022222 k( 279) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0022222 k( 280) = ( 0.4675926 0.0648148 0.5000000), wk = 0.0022222 k( 281) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0022222 k( 282) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0022222 k( 283) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0022222 k( 284) = ( 0.4490741 0.1018519 0.5000000), wk = 0.0022222 k( 285) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0022222 k( 286) = ( 0.4398148 0.1203704 0.5000000), wk = 0.0022222 k( 287) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0022222 k( 288) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0022222 k( 289) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0022222 k( 290) = ( 0.4212963 0.1574074 0.5000000), wk = 0.0022222 k( 291) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0022222 k( 292) = ( 0.4120370 0.1759259 0.5000000), wk = 0.0022222 k( 293) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0022222 k( 294) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0022222 k( 295) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0022222 k( 296) = ( 0.3935185 0.2129630 0.5000000), wk = 0.0022222 k( 297) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0022222 k( 298) = ( 0.3842593 0.2314815 0.5000000), wk = 0.0022222 k( 299) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0022222 k( 300) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0022222 k( 301) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0022222 k( 302) = ( 0.3657407 0.2685185 0.5000000), wk = 0.0022222 k( 303) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0022222 k( 304) = ( 0.3564815 0.2870370 0.5000000), wk = 0.0022222 k( 305) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0022222 k( 306) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0022222 k( 307) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0022222 k( 308) = ( 0.3379630 0.3240741 0.5000000), wk = 0.0022222 k( 309) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022222 k( 310) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022222 k( 311) = ( 0.3287037 0.3287037 0.5000000), wk = 0.0022222 k( 312) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0022222 k( 313) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0022222 k( 314) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0022222 k( 315) = ( 0.3101852 0.3101852 0.5000000), wk = 0.0022222 k( 316) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0022222 k( 317) = ( 0.3009259 0.3009259 0.5000000), wk = 0.0022222 k( 318) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0022222 k( 319) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0022222 k( 320) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0022222 k( 321) = ( 0.2824074 0.2824074 0.5000000), wk = 0.0022222 k( 322) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0022222 k( 323) = ( 0.2731481 0.2731481 0.5000000), wk = 0.0022222 k( 324) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0022222 k( 325) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0022222 k( 326) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0022222 k( 327) = ( 0.2546296 0.2546296 0.5000000), wk = 0.0022222 k( 328) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0022222 k( 329) = ( 0.2453704 0.2453704 0.5000000), wk = 0.0022222 k( 330) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0022222 k( 331) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0022222 k( 332) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0022222 k( 333) = ( 0.2268518 0.2268519 0.5000000), wk = 0.0022222 k( 334) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0022222 k( 335) = ( 0.2175926 0.2175926 0.5000000), wk = 0.0022222 k( 336) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0022222 k( 337) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0022222 k( 338) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0022222 k( 339) = ( 0.1990741 0.1990741 0.5000000), wk = 0.0022222 k( 340) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0022222 k( 341) = ( 0.1898148 0.1898148 0.5000000), wk = 0.0022222 k( 342) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0022222 k( 343) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0022222 k( 344) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0022222 k( 345) = ( 0.1712963 0.1712963 0.5000000), wk = 0.0022222 k( 346) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0022222 k( 347) = ( 0.1620370 0.1620370 0.5000000), wk = 0.0022222 k( 348) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0022222 k( 349) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0022222 k( 350) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0022222 k( 351) = ( 0.1435185 0.1435185 0.5000000), wk = 0.0022222 k( 352) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0022222 k( 353) = ( 0.1342593 0.1342593 0.5000000), wk = 0.0022222 k( 354) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0022222 k( 355) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0022222 k( 356) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0022222 k( 357) = ( 0.1157407 0.1157407 0.5000000), wk = 0.0022222 k( 358) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0022222 k( 359) = ( 0.1064815 0.1064815 0.5000000), wk = 0.0022222 k( 360) = ( 0.1018518 0.1018519 0.5000000), wk = 0.0022222 k( 361) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0022222 k( 362) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0022222 k( 363) = ( 0.0879630 0.0879630 0.5000000), wk = 0.0022222 k( 364) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0022222 k( 365) = ( 0.0787037 0.0787037 0.5000000), wk = 0.0022222 k( 366) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0022222 k( 367) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0022222 k( 368) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0022222 k( 369) = ( 0.0601852 0.0601852 0.5000000), wk = 0.0022222 k( 370) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0022222 k( 371) = ( 0.0509259 0.0509259 0.5000000), wk = 0.0022222 k( 372) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0022222 k( 373) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0022222 k( 374) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0022222 k( 375) = ( 0.0324074 0.0324074 0.5000000), wk = 0.0022222 k( 376) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0022222 k( 377) = ( 0.0231481 0.0231482 0.5000000), wk = 0.0022222 k( 378) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0022222 k( 379) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0022222 k( 380) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0022222 k( 381) = ( 0.0046296 0.0046296 0.5000000), wk = 0.0022222 k( 382) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022222 k( 383) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022222 k( 384) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0022222 k( 385) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0022222 k( 386) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0022222 k( 387) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0022222 k( 388) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0022222 k( 389) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0022222 k( 390) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0022222 k( 391) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0022222 k( 392) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0022222 k( 393) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0022222 k( 394) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0022222 k( 395) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0022222 k( 396) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0022222 k( 397) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0022222 k( 398) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0022222 k( 399) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0022222 k( 400) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0022222 k( 401) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0022222 k( 402) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0022222 k( 403) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0022222 k( 404) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0022222 k( 405) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0022222 k( 406) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0022222 k( 407) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0022222 k( 408) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0022222 k( 409) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0022222 k( 410) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0022222 k( 411) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0022222 k( 412) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0022222 k( 413) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0022222 k( 414) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0022222 k( 415) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0022222 k( 416) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022222 k( 417) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022222 k( 418) = ( 0.3333333 0.3333333 0.0151515), wk = 0.0022222 k( 419) = ( 0.3333333 0.3333333 0.0303030), wk = 0.0022222 k( 420) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0022222 k( 421) = ( 0.3333333 0.3333333 0.0606061), wk = 0.0022222 k( 422) = ( 0.3333333 0.3333333 0.0757576), wk = 0.0022222 k( 423) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0022222 k( 424) = ( 0.3333333 0.3333333 0.1060606), wk = 0.0022222 k( 425) = ( 0.3333333 0.3333333 0.1212121), wk = 0.0022222 k( 426) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0022222 k( 427) = ( 0.3333333 0.3333333 0.1515151), wk = 0.0022222 k( 428) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0022222 k( 429) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0022222 k( 430) = ( 0.3333333 0.3333333 0.1969697), wk = 0.0022222 k( 431) = ( 0.3333333 0.3333333 0.2121212), wk = 0.0022222 k( 432) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0022222 k( 433) = ( 0.3333333 0.3333333 0.2424242), wk = 0.0022222 k( 434) = ( 0.3333333 0.3333333 0.2575758), wk = 0.0022222 k( 435) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0022222 k( 436) = ( 0.3333333 0.3333333 0.2878788), wk = 0.0022222 k( 437) = ( 0.3333333 0.3333333 0.3030303), wk = 0.0022222 k( 438) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0022222 k( 439) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0022222 k( 440) = ( 0.3333333 0.3333333 0.3484849), wk = 0.0022222 k( 441) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0022222 k( 442) = ( 0.3333333 0.3333333 0.3787879), wk = 0.0022222 k( 443) = ( 0.3333333 0.3333333 0.3939394), wk = 0.0022222 k( 444) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0022222 k( 445) = ( 0.3333333 0.3333333 0.4242424), wk = 0.0022222 k( 446) = ( 0.3333333 0.3333333 0.4393939), wk = 0.0022222 k( 447) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0022222 k( 448) = ( 0.3333333 0.3333333 0.4696970), wk = 0.0022222 k( 449) = ( 0.3333333 0.3333333 0.4848485), wk = 0.0022222 k( 450) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022222 Dense grid: 5179 G-vectors FFT dimensions: ( 20, 20, 32) Smooth grid: 2961 G-vectors FFT dimensions: ( 15, 15, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 28, 16) NL pseudopotentials 0.01 Mb ( 14, 28) Each V/rho on FFT grid 0.01 Mb ( 400) Each G-vector array 0.00 Mb ( 147) G-vector shells 0.00 Mb ( 77) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.03 Mb ( 28, 64) Each subspace H/S matrix 0.00 Mb ( 16, 16) Each matrix 0.01 Mb ( 28, 2, 16) The potential is recalculated from file : ./Ge.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 0.9 secs Computing kpt #: 2 total cpu time spent up to now is 0.9 secs Computing kpt #: 3 total cpu time spent up to now is 0.9 secs Computing kpt #: 4 total cpu time spent up to now is 1.0 secs Computing kpt #: 5 total cpu time spent up to now is 1.0 secs Computing kpt #: 6 total cpu time spent up to now is 1.0 secs Computing kpt #: 7 total cpu time spent up to now is 1.0 secs Computing kpt #: 8 total cpu time spent up to now is 1.1 secs Computing kpt #: 9 total cpu time spent up to now is 1.1 secs Computing kpt #: 10 total cpu time spent up to now is 1.1 secs Computing kpt #: 11 total cpu time spent up to now is 1.2 secs Computing kpt #: 12 total cpu time spent up to now is 1.2 secs Computing kpt #: 13 total cpu time spent up to now is 1.2 secs Computing kpt #: 14 total cpu time spent up to now is 1.3 secs Computing kpt #: 15 total cpu time spent up to now is 1.3 secs Computing kpt #: 16 total cpu time spent up to now is 1.3 secs Computing kpt #: 17 total cpu time spent up to now is 1.4 secs Computing kpt #: 18 total cpu time spent up to now is 1.4 secs Computing kpt #: 19 total cpu time spent up to now is 1.4 secs Computing kpt #: 20 total cpu time spent up to now is 1.5 secs Computing kpt #: 21 total cpu time spent up to now is 1.5 secs Computing kpt #: 22 total cpu time spent up to now is 1.6 secs Computing kpt #: 23 total cpu time spent up to now is 1.6 secs Computing kpt #: 24 total cpu time spent up to now is 1.6 secs Computing kpt #: 25 total cpu time spent up to now is 1.7 secs Computing kpt #: 26 total cpu time spent up to now is 1.7 secs Computing kpt #: 27 total cpu time spent up to now is 1.7 secs Computing kpt #: 28 total cpu time spent up to now is 1.8 secs Computing kpt #: 29 total cpu time spent up to now is 1.8 secs Computing kpt #: 30 total cpu time spent up to now is 1.8 secs Computing kpt #: 31 total cpu time spent up to now is 1.9 secs Computing kpt #: 32 total cpu time spent up to now is 1.9 secs Computing kpt #: 33 total cpu time spent up to now is 2.0 secs Computing kpt #: 34 total cpu time spent up to now is 2.0 secs Computing kpt #: 35 total cpu time spent up to now is 2.0 secs Computing kpt #: 36 total cpu time spent up to now is 2.1 secs Computing kpt #: 37 total cpu time spent up to now is 2.1 secs Computing kpt #: 38 total cpu time spent up to now is 2.2 secs Computing kpt #: 39 total cpu time spent up to now is 2.2 secs Computing kpt #: 40 total cpu time spent up to now is 2.3 secs Computing kpt #: 41 total cpu time spent up to now is 2.3 secs Computing kpt #: 42 total cpu time spent up to now is 2.4 secs Computing kpt #: 43 total cpu time spent up to now is 2.4 secs Computing kpt #: 44 total cpu time spent up to now is 2.5 secs Computing kpt #: 45 total cpu time spent up to now is 2.5 secs Computing kpt #: 46 total cpu time spent up to now is 2.6 secs Computing kpt #: 47 total cpu time spent up to now is 2.6 secs Computing kpt #: 48 total cpu time spent up to now is 2.7 secs Computing kpt #: 49 total cpu time spent up to now is 2.7 secs Computing kpt #: 50 total cpu time spent up to now is 2.7 secs Computing kpt #: 51 total cpu time spent up to now is 2.8 secs Computing kpt #: 52 total cpu time spent up to now is 2.8 secs Computing kpt #: 53 total cpu time spent up to now is 2.9 secs Computing kpt #: 54 total cpu time spent up to now is 2.9 secs Computing kpt #: 55 total cpu time spent up to now is 3.0 secs Computing kpt #: 56 total cpu time spent up to now is 3.0 secs Computing kpt #: 57 total cpu time spent up to now is 3.1 secs Computing kpt #: 58 total cpu time spent up to now is 3.1 secs Computing kpt #: 59 total cpu time spent up to now is 3.2 secs Computing kpt #: 60 total cpu time spent up to now is 3.2 secs Computing kpt #: 61 total cpu time spent up to now is 3.3 secs Computing kpt #: 62 total cpu time spent up to now is 3.3 secs Computing kpt #: 63 total cpu time spent up to now is 3.4 secs Computing kpt #: 64 total cpu time spent up to now is 3.4 secs Computing kpt #: 65 total cpu time spent up to now is 3.5 secs Computing kpt #: 66 total cpu time spent up to now is 3.5 secs Computing kpt #: 67 total cpu time spent up to now is 3.6 secs Computing kpt #: 68 total cpu time spent up to now is 3.6 secs Computing kpt #: 69 total cpu time spent up to now is 3.6 secs Computing kpt #: 70 total cpu time spent up to now is 3.6 secs Computing kpt #: 71 total cpu time spent up to now is 3.7 secs Computing kpt #: 72 total cpu time spent up to now is 3.7 secs Computing kpt #: 73 total cpu time spent up to now is 3.7 secs Computing kpt #: 74 total cpu time spent up to now is 3.8 secs Computing kpt #: 75 total cpu time spent up to now is 3.8 secs Computing kpt #: 76 total cpu time spent up to now is 3.8 secs Computing kpt #: 77 total cpu time spent up to now is 3.8 secs Computing kpt #: 78 total cpu time spent up to now is 3.9 secs Computing kpt #: 79 total cpu time spent up to now is 3.9 secs Computing kpt #: 80 total cpu time spent up to now is 3.9 secs Computing kpt #: 81 total cpu time spent up to now is 3.9 secs Computing kpt #: 82 total cpu time spent up to now is 4.0 secs Computing kpt #: 83 total cpu time spent up to now is 4.0 secs Computing kpt #: 84 total cpu time spent up to now is 4.0 secs Computing kpt #: 85 total cpu time spent up to now is 4.1 secs Computing kpt #: 86 total cpu time spent up to now is 4.1 secs Computing kpt #: 87 total cpu time spent up to now is 4.1 secs Computing kpt #: 88 total cpu time spent up to now is 4.2 secs Computing kpt #: 89 total cpu time spent up to now is 4.2 secs Computing kpt #: 90 total cpu time spent up to now is 4.2 secs Computing kpt #: 91 total cpu time spent up to now is 4.3 secs Computing kpt #: 92 total cpu time spent up to now is 4.3 secs Computing kpt #: 93 total cpu time spent up to now is 4.3 secs Computing kpt #: 94 total cpu time spent up to now is 4.3 secs Computing kpt #: 95 total cpu time spent up to now is 4.4 secs Computing kpt #: 96 total cpu time spent up to now is 4.4 secs Computing kpt #: 97 total cpu time spent up to now is 4.4 secs Computing kpt #: 98 total cpu time spent up to now is 4.5 secs Computing kpt #: 99 total cpu time spent up to now is 4.5 secs Computing kpt #: 100 total cpu time spent up to now is 4.5 secs Computing kpt #: 101 total cpu time spent up to now is 4.6 secs Computing kpt #: 102 total cpu time spent up to now is 4.6 secs Computing kpt #: 103 total cpu time spent up to now is 4.6 secs Computing kpt #: 104 total cpu time spent up to now is 4.6 secs Computing kpt #: 105 total cpu time spent up to now is 4.7 secs Computing kpt #: 106 total cpu time spent up to now is 4.7 secs Computing kpt #: 107 total cpu time spent up to now is 4.7 secs Computing kpt #: 108 total cpu time spent up to now is 4.8 secs Computing kpt #: 109 total cpu time spent up to now is 4.8 secs Computing kpt #: 110 total cpu time spent up to now is 4.9 secs Computing kpt #: 111 total cpu time spent up to now is 4.9 secs Computing kpt #: 112 total cpu time spent up to now is 5.0 secs Computing kpt #: 113 total cpu time spent up to now is 5.0 secs Computing kpt #: 114 total cpu time spent up to now is 5.0 secs Computing kpt #: 115 total cpu time spent up to now is 5.1 secs Computing kpt #: 116 total cpu time spent up to now is 5.1 secs Computing kpt #: 117 total cpu time spent up to now is 5.1 secs Computing kpt #: 118 total cpu time spent up to now is 5.1 secs Computing kpt #: 119 total cpu time spent up to now is 5.2 secs Computing kpt #: 120 total cpu time spent up to now is 5.2 secs Computing kpt #: 121 total cpu time spent up to now is 5.2 secs Computing kpt #: 122 total cpu time spent up to now is 5.2 secs Computing kpt #: 123 total cpu time spent up to now is 5.3 secs Computing kpt #: 124 total cpu time spent up to now is 5.3 secs Computing kpt #: 125 total cpu time spent up to now is 5.3 secs Computing kpt #: 126 total cpu time spent up to now is 5.4 secs Computing kpt #: 127 total cpu time spent up to now is 5.4 secs Computing kpt #: 128 total cpu time spent up to now is 5.4 secs Computing kpt #: 129 total cpu time spent up to now is 5.4 secs Computing kpt #: 130 total cpu time spent up to now is 5.5 secs Computing kpt #: 131 total cpu time spent up to now is 5.5 secs Computing kpt #: 132 total cpu time spent up to now is 5.5 secs Computing kpt #: 133 total cpu time spent up to now is 5.5 secs Computing kpt #: 134 total cpu time spent up to now is 5.6 secs Computing kpt #: 135 total cpu time spent up to now is 5.6 secs Computing kpt #: 136 total cpu time spent up to now is 5.6 secs Computing kpt #: 137 total cpu time spent up to now is 5.7 secs Computing kpt #: 138 total cpu time spent up to now is 5.7 secs Computing kpt #: 139 total cpu time spent up to now is 5.7 secs Computing kpt #: 140 total cpu time spent up to now is 5.7 secs Computing kpt #: 141 total cpu time spent up to now is 5.8 secs Computing kpt #: 142 total cpu time spent up to now is 5.8 secs Computing kpt #: 143 total cpu time spent up to now is 5.8 secs Computing kpt #: 144 total cpu time spent up to now is 5.9 secs Computing kpt #: 145 total cpu time spent up to now is 5.9 secs Computing kpt #: 146 total cpu time spent up to now is 5.9 secs Computing kpt #: 147 total cpu time spent up to now is 5.9 secs Computing kpt #: 148 total cpu time spent up to now is 6.0 secs Computing kpt #: 149 total cpu time spent up to now is 6.0 secs Computing kpt #: 150 total cpu time spent up to now is 6.0 secs Computing kpt #: 151 total cpu time spent up to now is 6.1 secs Computing kpt #: 152 total cpu time spent up to now is 6.1 secs Computing kpt #: 153 total cpu time spent up to now is 6.1 secs Computing kpt #: 154 total cpu time spent up to now is 6.2 secs Computing kpt #: 155 total cpu time spent up to now is 6.2 secs Computing kpt #: 156 total cpu time spent up to now is 6.2 secs Computing kpt #: 157 total cpu time spent up to now is 6.3 secs Computing kpt #: 158 total cpu time spent up to now is 6.3 secs Computing kpt #: 159 total cpu time spent up to now is 6.3 secs Computing kpt #: 160 total cpu time spent up to now is 6.3 secs Computing kpt #: 161 total cpu time spent up to now is 6.4 secs Computing kpt #: 162 total cpu time spent up to now is 6.4 secs Computing kpt #: 163 total cpu time spent up to now is 6.4 secs Computing kpt #: 164 total cpu time spent up to now is 6.5 secs Computing kpt #: 165 total cpu time spent up to now is 6.5 secs Computing kpt #: 166 total cpu time spent up to now is 6.5 secs Computing kpt #: 167 total cpu time spent up to now is 6.6 secs Computing kpt #: 168 total cpu time spent up to now is 6.6 secs Computing kpt #: 169 total cpu time spent up to now is 6.6 secs Computing kpt #: 170 total cpu time spent up to now is 6.7 secs Computing kpt #: 171 total cpu time spent up to now is 6.7 secs Computing kpt #: 172 total cpu time spent up to now is 6.7 secs Computing kpt #: 173 total cpu time spent up to now is 6.8 secs Computing kpt #: 174 total cpu time spent up to now is 6.8 secs Computing kpt #: 175 total cpu time spent up to now is 6.8 secs Computing kpt #: 176 total cpu time spent up to now is 6.9 secs Computing kpt #: 177 total cpu time spent up to now is 6.9 secs Computing kpt #: 178 total cpu time spent up to now is 6.9 secs Computing kpt #: 179 total cpu time spent up to now is 6.9 secs Computing kpt #: 180 total cpu time spent up to now is 7.0 secs Computing kpt #: 181 total cpu time spent up to now is 7.0 secs Computing kpt #: 182 total cpu time spent up to now is 7.0 secs Computing kpt #: 183 total cpu time spent up to now is 7.1 secs Computing kpt #: 184 total cpu time spent up to now is 7.1 secs Computing kpt #: 185 total cpu time spent up to now is 7.1 secs Computing kpt #: 186 total cpu time spent up to now is 7.2 secs Computing kpt #: 187 total cpu time spent up to now is 7.2 secs Computing kpt #: 188 total cpu time spent up to now is 7.2 secs Computing kpt #: 189 total cpu time spent up to now is 7.3 secs Computing kpt #: 190 total cpu time spent up to now is 7.3 secs Computing kpt #: 191 total cpu time spent up to now is 7.3 secs Computing kpt #: 192 total cpu time spent up to now is 7.4 secs Computing kpt #: 193 total cpu time spent up to now is 7.4 secs Computing kpt #: 194 total cpu time spent up to now is 7.4 secs Computing kpt #: 195 total cpu time spent up to now is 7.5 secs Computing kpt #: 196 total cpu time spent up to now is 7.5 secs Computing kpt #: 197 total cpu time spent up to now is 7.5 secs Computing kpt #: 198 total cpu time spent up to now is 7.6 secs Computing kpt #: 199 total cpu time spent up to now is 7.6 secs Computing kpt #: 200 total cpu time spent up to now is 7.6 secs Computing kpt #: 201 total cpu time spent up to now is 7.7 secs Computing kpt #: 202 total cpu time spent up to now is 7.7 secs Computing kpt #: 203 total cpu time spent up to now is 7.7 secs Computing kpt #: 204 total cpu time spent up to now is 7.7 secs Computing kpt #: 205 total cpu time spent up to now is 7.8 secs Computing kpt #: 206 total cpu time spent up to now is 7.8 secs Computing kpt #: 207 total cpu time spent up to now is 7.8 secs Computing kpt #: 208 total cpu time spent up to now is 7.9 secs Computing kpt #: 209 total cpu time spent up to now is 7.9 secs Computing kpt #: 210 total cpu time spent up to now is 7.9 secs Computing kpt #: 211 total cpu time spent up to now is 8.0 secs Computing kpt #: 212 total cpu time spent up to now is 8.0 secs Computing kpt #: 213 total cpu time spent up to now is 8.0 secs Computing kpt #: 214 total cpu time spent up to now is 8.1 secs Computing kpt #: 215 total cpu time spent up to now is 8.1 secs Computing kpt #: 216 total cpu time spent up to now is 8.1 secs Computing kpt #: 217 total cpu time spent up to now is 8.2 secs Computing kpt #: 218 total cpu time spent up to now is 8.2 secs Computing kpt #: 219 total cpu time spent up to now is 8.2 secs Computing kpt #: 220 total cpu time spent up to now is 8.3 secs Computing kpt #: 221 total cpu time spent up to now is 8.3 secs Computing kpt #: 222 total cpu time spent up to now is 8.3 secs Computing kpt #: 223 total cpu time spent up to now is 8.3 secs Computing kpt #: 224 total cpu time spent up to now is 8.4 secs Computing kpt #: 225 total cpu time spent up to now is 8.4 secs Computing kpt #: 226 total cpu time spent up to now is 8.4 secs Computing kpt #: 227 total cpu time spent up to now is 8.5 secs Computing kpt #: 228 total cpu time spent up to now is 8.5 secs Computing kpt #: 229 total cpu time spent up to now is 8.5 secs Computing kpt #: 230 total cpu time spent up to now is 8.5 secs Computing kpt #: 231 total cpu time spent up to now is 8.6 secs Computing kpt #: 232 total cpu time spent up to now is 8.6 secs Computing kpt #: 233 total cpu time spent up to now is 8.6 secs Computing kpt #: 234 total cpu time spent up to now is 8.6 secs Computing kpt #: 235 total cpu time spent up to now is 8.7 secs Computing kpt #: 236 total cpu time spent up to now is 8.7 secs Computing kpt #: 237 total cpu time spent up to now is 8.7 secs Computing kpt #: 238 total cpu time spent up to now is 8.8 secs Computing kpt #: 239 total cpu time spent up to now is 8.8 secs Computing kpt #: 240 total cpu time spent up to now is 8.8 secs Computing kpt #: 241 total cpu time spent up to now is 8.8 secs Computing kpt #: 242 total cpu time spent up to now is 8.9 secs Computing kpt #: 243 total cpu time spent up to now is 8.9 secs Computing kpt #: 244 total cpu time spent up to now is 8.9 secs Computing kpt #: 245 total cpu time spent up to now is 8.9 secs Computing kpt #: 246 total cpu time spent up to now is 9.0 secs Computing kpt #: 247 total cpu time spent up to now is 9.0 secs Computing kpt #: 248 total cpu time spent up to now is 9.0 secs Computing kpt #: 249 total cpu time spent up to now is 9.0 secs Computing kpt #: 250 total cpu time spent up to now is 9.1 secs Computing kpt #: 251 total cpu time spent up to now is 9.1 secs Computing kpt #: 252 total cpu time spent up to now is 9.1 secs Computing kpt #: 253 total cpu time spent up to now is 9.2 secs Computing kpt #: 254 total cpu time spent up to now is 9.2 secs Computing kpt #: 255 total cpu time spent up to now is 9.2 secs Computing kpt #: 256 total cpu time spent up to now is 9.2 secs Computing kpt #: 257 total cpu time spent up to now is 9.3 secs Computing kpt #: 258 total cpu time spent up to now is 9.3 secs Computing kpt #: 259 total cpu time spent up to now is 9.3 secs Computing kpt #: 260 total cpu time spent up to now is 9.4 secs Computing kpt #: 261 total cpu time spent up to now is 9.4 secs Computing kpt #: 262 total cpu time spent up to now is 9.4 secs Computing kpt #: 263 total cpu time spent up to now is 9.5 secs Computing kpt #: 264 total cpu time spent up to now is 9.5 secs Computing kpt #: 265 total cpu time spent up to now is 9.5 secs Computing kpt #: 266 total cpu time spent up to now is 9.6 secs Computing kpt #: 267 total cpu time spent up to now is 9.6 secs Computing kpt #: 268 total cpu time spent up to now is 9.6 secs Computing kpt #: 269 total cpu time spent up to now is 9.6 secs Computing kpt #: 270 total cpu time spent up to now is 9.7 secs Computing kpt #: 271 total cpu time spent up to now is 9.7 secs Computing kpt #: 272 total cpu time spent up to now is 9.7 secs Computing kpt #: 273 total cpu time spent up to now is 9.8 secs Computing kpt #: 274 total cpu time spent up to now is 9.8 secs Computing kpt #: 275 total cpu time spent up to now is 9.8 secs Computing kpt #: 276 total cpu time spent up to now is 9.9 secs Computing kpt #: 277 total cpu time spent up to now is 9.9 secs Computing kpt #: 278 total cpu time spent up to now is 9.9 secs Computing kpt #: 279 total cpu time spent up to now is 10.0 secs Computing kpt #: 280 total cpu time spent up to now is 10.0 secs Computing kpt #: 281 total cpu time spent up to now is 10.0 secs Computing kpt #: 282 total cpu time spent up to now is 10.0 secs Computing kpt #: 283 total cpu time spent up to now is 10.1 secs Computing kpt #: 284 total cpu time spent up to now is 10.1 secs Computing kpt #: 285 total cpu time spent up to now is 10.1 secs Computing kpt #: 286 total cpu time spent up to now is 10.2 secs Computing kpt #: 287 total cpu time spent up to now is 10.2 secs Computing kpt #: 288 total cpu time spent up to now is 10.2 secs Computing kpt #: 289 total cpu time spent up to now is 10.3 secs Computing kpt #: 290 total cpu time spent up to now is 10.3 secs Computing kpt #: 291 total cpu time spent up to now is 10.3 secs Computing kpt #: 292 total cpu time spent up to now is 10.3 secs Computing kpt #: 293 total cpu time spent up to now is 10.4 secs Computing kpt #: 294 total cpu time spent up to now is 10.4 secs Computing kpt #: 295 total cpu time spent up to now is 10.4 secs Computing kpt #: 296 total cpu time spent up to now is 10.5 secs Computing kpt #: 297 total cpu time spent up to now is 10.5 secs Computing kpt #: 298 total cpu time spent up to now is 10.5 secs Computing kpt #: 299 total cpu time spent up to now is 10.5 secs Computing kpt #: 300 total cpu time spent up to now is 10.6 secs Computing kpt #: 301 total cpu time spent up to now is 10.6 secs Computing kpt #: 302 total cpu time spent up to now is 10.6 secs Computing kpt #: 303 total cpu time spent up to now is 10.7 secs Computing kpt #: 304 total cpu time spent up to now is 10.7 secs Computing kpt #: 305 total cpu time spent up to now is 10.7 secs Computing kpt #: 306 total cpu time spent up to now is 10.7 secs Computing kpt #: 307 total cpu time spent up to now is 10.8 secs Computing kpt #: 308 total cpu time spent up to now is 10.8 secs Computing kpt #: 309 total cpu time spent up to now is 10.8 secs Computing kpt #: 310 total cpu time spent up to now is 10.8 secs Computing kpt #: 311 total cpu time spent up to now is 10.9 secs Computing kpt #: 312 total cpu time spent up to now is 10.9 secs Computing kpt #: 313 total cpu time spent up to now is 10.9 secs Computing kpt #: 314 total cpu time spent up to now is 11.0 secs Computing kpt #: 315 total cpu time spent up to now is 11.0 secs Computing kpt #: 316 total cpu time spent up to now is 11.0 secs Computing kpt #: 317 total cpu time spent up to now is 11.0 secs Computing kpt #: 318 total cpu time spent up to now is 11.1 secs Computing kpt #: 319 total cpu time spent up to now is 11.1 secs Computing kpt #: 320 total cpu time spent up to now is 11.1 secs Computing kpt #: 321 total cpu time spent up to now is 11.2 secs Computing kpt #: 322 total cpu time spent up to now is 11.2 secs Computing kpt #: 323 total cpu time spent up to now is 11.2 secs Computing kpt #: 324 total cpu time spent up to now is 11.2 secs Computing kpt #: 325 total cpu time spent up to now is 11.3 secs Computing kpt #: 326 total cpu time spent up to now is 11.3 secs Computing kpt #: 327 total cpu time spent up to now is 11.3 secs Computing kpt #: 328 total cpu time spent up to now is 11.4 secs Computing kpt #: 329 total cpu time spent up to now is 11.4 secs Computing kpt #: 330 total cpu time spent up to now is 11.4 secs Computing kpt #: 331 total cpu time spent up to now is 11.4 secs Computing kpt #: 332 total cpu time spent up to now is 11.5 secs Computing kpt #: 333 total cpu time spent up to now is 11.5 secs Computing kpt #: 334 total cpu time spent up to now is 11.5 secs Computing kpt #: 335 total cpu time spent up to now is 11.5 secs Computing kpt #: 336 total cpu time spent up to now is 11.6 secs Computing kpt #: 337 total cpu time spent up to now is 11.6 secs Computing kpt #: 338 total cpu time spent up to now is 11.6 secs Computing kpt #: 339 total cpu time spent up to now is 11.7 secs Computing kpt #: 340 total cpu time spent up to now is 11.7 secs Computing kpt #: 341 total cpu time spent up to now is 11.7 secs Computing kpt #: 342 total cpu time spent up to now is 11.7 secs Computing kpt #: 343 total cpu time spent up to now is 11.8 secs Computing kpt #: 344 total cpu time spent up to now is 11.8 secs Computing kpt #: 345 total cpu time spent up to now is 11.8 secs Computing kpt #: 346 total cpu time spent up to now is 11.8 secs Computing kpt #: 347 total cpu time spent up to now is 11.9 secs Computing kpt #: 348 total cpu time spent up to now is 11.9 secs Computing kpt #: 349 total cpu time spent up to now is 11.9 secs Computing kpt #: 350 total cpu time spent up to now is 11.9 secs Computing kpt #: 351 total cpu time spent up to now is 12.0 secs Computing kpt #: 352 total cpu time spent up to now is 12.0 secs Computing kpt #: 353 total cpu time spent up to now is 12.0 secs Computing kpt #: 354 total cpu time spent up to now is 12.0 secs Computing kpt #: 355 total cpu time spent up to now is 12.1 secs Computing kpt #: 356 total cpu time spent up to now is 12.1 secs Computing kpt #: 357 total cpu time spent up to now is 12.1 secs Computing kpt #: 358 total cpu time spent up to now is 12.1 secs Computing kpt #: 359 total cpu time spent up to now is 12.2 secs Computing kpt #: 360 total cpu time spent up to now is 12.2 secs Computing kpt #: 361 total cpu time spent up to now is 12.2 secs Computing kpt #: 362 total cpu time spent up to now is 12.3 secs Computing kpt #: 363 total cpu time spent up to now is 12.3 secs Computing kpt #: 364 total cpu time spent up to now is 12.3 secs Computing kpt #: 365 total cpu time spent up to now is 12.3 secs Computing kpt #: 366 total cpu time spent up to now is 12.4 secs Computing kpt #: 367 total cpu time spent up to now is 12.4 secs Computing kpt #: 368 total cpu time spent up to now is 12.4 secs Computing kpt #: 369 total cpu time spent up to now is 12.5 secs Computing kpt #: 370 total cpu time spent up to now is 12.5 secs Computing kpt #: 371 total cpu time spent up to now is 12.5 secs Computing kpt #: 372 total cpu time spent up to now is 12.6 secs Computing kpt #: 373 total cpu time spent up to now is 12.6 secs Computing kpt #: 374 total cpu time spent up to now is 12.6 secs Computing kpt #: 375 total cpu time spent up to now is 12.7 secs Computing kpt #: 376 total cpu time spent up to now is 12.7 secs Computing kpt #: 377 total cpu time spent up to now is 12.7 secs Computing kpt #: 378 total cpu time spent up to now is 12.8 secs Computing kpt #: 379 total cpu time spent up to now is 12.8 secs Computing kpt #: 380 total cpu time spent up to now is 12.8 secs Computing kpt #: 381 total cpu time spent up to now is 12.9 secs Computing kpt #: 382 total cpu time spent up to now is 12.9 secs Computing kpt #: 383 total cpu time spent up to now is 12.9 secs Computing kpt #: 384 total cpu time spent up to now is 12.9 secs Computing kpt #: 385 total cpu time spent up to now is 13.0 secs Computing kpt #: 386 total cpu time spent up to now is 13.0 secs Computing kpt #: 387 total cpu time spent up to now is 13.0 secs Computing kpt #: 388 total cpu time spent up to now is 13.1 secs Computing kpt #: 389 total cpu time spent up to now is 13.1 secs Computing kpt #: 390 total cpu time spent up to now is 13.1 secs Computing kpt #: 391 total cpu time spent up to now is 13.2 secs Computing kpt #: 392 total cpu time spent up to now is 13.2 secs Computing kpt #: 393 total cpu time spent up to now is 13.2 secs Computing kpt #: 394 total cpu time spent up to now is 13.3 secs Computing kpt #: 395 total cpu time spent up to now is 13.3 secs Computing kpt #: 396 total cpu time spent up to now is 13.3 secs Computing kpt #: 397 total cpu time spent up to now is 13.3 secs Computing kpt #: 398 total cpu time spent up to now is 13.4 secs Computing kpt #: 399 total cpu time spent up to now is 13.4 secs Computing kpt #: 400 total cpu time spent up to now is 13.4 secs Computing kpt #: 401 total cpu time spent up to now is 13.5 secs Computing kpt #: 402 total cpu time spent up to now is 13.5 secs Computing kpt #: 403 total cpu time spent up to now is 13.5 secs Computing kpt #: 404 total cpu time spent up to now is 13.5 secs Computing kpt #: 405 total cpu time spent up to now is 13.6 secs Computing kpt #: 406 total cpu time spent up to now is 13.6 secs Computing kpt #: 407 total cpu time spent up to now is 13.6 secs Computing kpt #: 408 total cpu time spent up to now is 13.6 secs Computing kpt #: 409 total cpu time spent up to now is 13.7 secs Computing kpt #: 410 total cpu time spent up to now is 13.7 secs Computing kpt #: 411 total cpu time spent up to now is 13.7 secs Computing kpt #: 412 total cpu time spent up to now is 13.8 secs Computing kpt #: 413 total cpu time spent up to now is 13.8 secs Computing kpt #: 414 total cpu time spent up to now is 13.9 secs Computing kpt #: 415 total cpu time spent up to now is 13.9 secs Computing kpt #: 416 total cpu time spent up to now is 14.0 secs Computing kpt #: 417 total cpu time spent up to now is 14.0 secs Computing kpt #: 418 total cpu time spent up to now is 14.0 secs Computing kpt #: 419 total cpu time spent up to now is 14.1 secs Computing kpt #: 420 total cpu time spent up to now is 14.1 secs Computing kpt #: 421 total cpu time spent up to now is 14.1 secs Computing kpt #: 422 total cpu time spent up to now is 14.1 secs Computing kpt #: 423 total cpu time spent up to now is 14.2 secs Computing kpt #: 424 total cpu time spent up to now is 14.2 secs Computing kpt #: 425 total cpu time spent up to now is 14.2 secs Computing kpt #: 426 total cpu time spent up to now is 14.3 secs Computing kpt #: 427 total cpu time spent up to now is 14.3 secs Computing kpt #: 428 total cpu time spent up to now is 14.3 secs Computing kpt #: 429 total cpu time spent up to now is 14.3 secs Computing kpt #: 430 total cpu time spent up to now is 14.4 secs Computing kpt #: 431 total cpu time spent up to now is 14.4 secs Computing kpt #: 432 total cpu time spent up to now is 14.4 secs Computing kpt #: 433 total cpu time spent up to now is 14.4 secs Computing kpt #: 434 total cpu time spent up to now is 14.5 secs Computing kpt #: 435 total cpu time spent up to now is 14.5 secs Computing kpt #: 436 total cpu time spent up to now is 14.5 secs Computing kpt #: 437 total cpu time spent up to now is 14.5 secs Computing kpt #: 438 total cpu time spent up to now is 14.6 secs Computing kpt #: 439 total cpu time spent up to now is 14.6 secs Computing kpt #: 440 total cpu time spent up to now is 14.6 secs Computing kpt #: 441 total cpu time spent up to now is 14.7 secs Computing kpt #: 442 total cpu time spent up to now is 14.7 secs Computing kpt #: 443 total cpu time spent up to now is 14.7 secs Computing kpt #: 444 total cpu time spent up to now is 14.7 secs Computing kpt #: 445 total cpu time spent up to now is 14.8 secs Computing kpt #: 446 total cpu time spent up to now is 14.8 secs Computing kpt #: 447 total cpu time spent up to now is 14.9 secs Computing kpt #: 448 total cpu time spent up to now is 15.0 secs Computing kpt #: 449 total cpu time spent up to now is 15.0 secs Computing kpt #: 450 total cpu time spent up to now is 15.0 secs ethr = 1.25E-07, avg # of iterations = 7.9 total cpu time spent up to now is 15.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 373 PWs) bands (ev): -5.2156 -5.2156 -0.0321 -0.0321 2.4526 2.4526 15.9145 15.9145 16.2084 16.2084 17.2772 17.2772 17.8447 17.8447 18.0384 18.0384 k = 0.0079 0.0046-0.0000 ( 373 PWs) bands (ev): -5.2141 -5.2141 -0.0307 -0.0307 2.4541 2.4541 15.8998 15.8998 16.1911 16.1911 17.2773 17.2773 17.8443 17.8443 18.0364 18.0364 k = 0.0159 0.0092-0.0000 ( 373 PWs) bands (ev): -5.2097 -5.2097 -0.0264 -0.0264 2.4587 2.4587 15.8545 15.8545 16.1420 16.1420 17.2774 17.2774 17.8408 17.8408 18.0318 18.0318 k = 0.0238 0.0137-0.0000 ( 371 PWs) bands (ev): -5.2022 -5.2022 -0.0193 -0.0193 2.4663 2.4663 15.7758 15.7758 16.0692 16.0692 17.2763 17.2763 17.8285 17.8285 18.0297 18.0297 k = 0.0317 0.0183-0.0000 ( 371 PWs) bands (ev): -5.1918 -5.1918 -0.0092 -0.0092 2.4769 2.4769 15.6609 15.6609 15.9827 15.9827 17.2728 17.2728 17.7993 17.7993 18.0344 18.0344 k = 0.0397 0.0229-0.0000 ( 367 PWs) bands (ev): -5.1785 -5.1785 0.0036 0.0036 2.4905 2.4905 15.5103 15.5103 15.8895 15.8895 17.2654 17.2654 17.7511 17.7511 18.0488 18.0488 k = 0.0476 0.0275-0.0000 ( 367 PWs) bands (ev): -5.1621 -5.1621 0.0194 0.0194 2.5072 2.5072 15.3285 15.3285 15.7923 15.7923 17.2522 17.2522 17.6860 17.6860 18.0675 18.0675 k = 0.0556 0.0321-0.0000 ( 363 PWs) bands (ev): -5.1428 -5.1428 0.0381 0.0381 2.5270 2.5270 15.1218 15.1218 15.6916 15.6916 17.2304 17.2304 17.6097 17.6097 18.0880 18.0880 k = 0.0635 0.0367-0.0000 ( 359 PWs) bands (ev): -5.1205 -5.1205 0.0596 0.0596 2.5499 2.5499 14.8956 14.8956 15.5870 15.5870 17.1951 17.1951 17.5284 17.5284 18.1073 18.1073 k = 0.0714 0.0412-0.0000 ( 359 PWs) bands (ev): -5.0952 -5.0952 0.0839 0.0839 2.5756 2.5756 14.6543 14.6543 15.4791 15.4791 17.1387 17.1387 17.4518 17.4518 18.1223 18.1223 k = 0.0794 0.0458-0.0000 ( 359 PWs) bands (ev): -5.0670 -5.0670 0.1111 0.1111 2.6044 2.6044 14.4012 14.4012 15.3683 15.3683 17.0548 17.0548 17.3878 17.3878 18.1318 18.1318 k = 0.0873 0.0504-0.0000 ( 359 PWs) bands (ev): -5.0358 -5.0358 0.1411 0.1411 2.6363 2.6363 14.1389 14.1389 15.2551 15.2551 16.9436 16.9436 17.3372 17.3372 18.1347 18.1347 k = 0.0952 0.0550-0.0000 ( 361 PWs) bands (ev): -5.0017 -5.0017 0.1739 0.1739 2.6711 2.6711 13.8692 13.8692 15.1398 15.1398 16.8106 16.8106 17.2947 17.2947 18.1301 18.1301 k = 0.1032 0.0596-0.0000 ( 361 PWs) bands (ev): -4.9645 -4.9645 0.2096 0.2096 2.7089 2.7089 13.5941 13.5941 15.0237 15.0237 16.6625 16.6625 17.2549 17.2549 18.1182 18.1182 k = 0.1111 0.0642-0.0000 ( 361 PWs) bands (ev): -4.9244 -4.9244 0.2481 0.2481 2.7498 2.7498 13.3148 13.3148 14.9068 14.9068 16.5027 16.5027 17.2143 17.2143 18.0985 18.0985 k = 0.1190 0.0687-0.0000 ( 361 PWs) bands (ev): -4.8814 -4.8814 0.2894 0.2894 2.7936 2.7936 13.0322 13.0322 14.7895 14.7895 16.3335 16.3335 17.1706 17.1706 18.0714 18.0714 k = 0.1270 0.0733-0.0000 ( 361 PWs) bands (ev): -4.8353 -4.8353 0.3336 0.3336 2.8404 2.8404 12.7473 12.7473 14.6723 14.6723 16.1563 16.1563 17.1221 17.1221 18.0372 18.0372 k = 0.1349 0.0779-0.0000 ( 365 PWs) bands (ev): -4.7863 -4.7863 0.3805 0.3805 2.8903 2.8903 12.4587 12.4587 14.5539 14.5539 15.9721 15.9721 17.0676 17.0676 17.9964 17.9964 k = 0.1429 0.0825-0.0000 ( 365 PWs) bands (ev): -4.7344 -4.7344 0.4303 0.4303 2.9431 2.9431 12.1712 12.1712 14.4376 14.4376 15.7817 15.7817 17.0061 17.0061 17.9495 17.9495 k = 0.1508 0.0871-0.0000 ( 365 PWs) bands (ev): -4.6795 -4.6795 0.4828 0.4828 2.9988 2.9988 11.8832 11.8832 14.3222 14.3222 15.5857 15.5857 16.9366 16.9366 17.8972 17.8972 k = 0.1587 0.0916-0.0000 ( 365 PWs) bands (ev): -4.6216 -4.6216 0.5382 0.5382 3.0576 3.0576 11.5951 11.5951 14.2078 14.2078 15.3845 15.3845 16.8584 16.8584 17.8400 17.8400 k = 0.1667 0.0962-0.0000 ( 365 PWs) bands (ev): -4.5608 -4.5608 0.5963 0.5963 3.1193 3.1193 11.3074 11.3074 14.0946 14.0946 15.1785 15.1785 16.7707 16.7707 17.7788 17.7788 k = 0.1746 0.1008-0.0000 ( 365 PWs) bands (ev): -4.4970 -4.4970 0.6571 0.6571 3.1840 3.1840 11.0203 11.0203 13.9827 13.9827 14.9683 14.9683 16.6730 16.6730 17.7140 17.7140 k = 0.1825 0.1054-0.0000 ( 365 PWs) bands (ev): -4.4302 -4.4302 0.7207 0.7207 3.2516 3.2516 10.7341 10.7341 13.8722 13.8722 14.7542 14.7542 16.5648 16.5648 17.6464 17.6464 k = 0.1905 0.1100-0.0000 ( 365 PWs) bands (ev): -4.3606 -4.3606 0.7870 0.7870 3.3221 3.3221 10.4492 10.4492 13.7632 13.7632 14.5368 14.5368 16.4460 16.4460 17.5764 17.5764 k = 0.1984 0.1146-0.0000 ( 365 PWs) bands (ev): -4.2879 -4.2879 0.8559 0.8559 3.3956 3.3956 10.1657 10.1657 13.6555 13.6555 14.3167 14.3167 16.3164 16.3164 17.5047 17.5047 k = 0.2063 0.1191-0.0000 ( 365 PWs) bands (ev): -4.2124 -4.2124 0.9275 0.9275 3.4720 3.4720 9.8838 9.8838 13.5489 13.5489 14.0946 14.0946 16.1763 16.1763 17.4317 17.4317 k = 0.2143 0.1237-0.0000 ( 359 PWs) bands (ev): -4.1338 -4.1338 1.0019 1.0019 3.5515 3.5515 9.6043 9.6043 13.4426 13.4426 13.8718 13.8718 16.0269 16.0269 17.3580 17.3580 k = 0.2222 0.1283-0.0000 ( 359 PWs) bands (ev): -4.0524 -4.0524 1.0787 1.0787 3.6336 3.6336 9.3263 9.3263 13.3346 13.3346 13.6507 13.6507 15.8671 15.8671 17.2838 17.2838 k = 0.2302 0.1329-0.0000 ( 359 PWs) bands (ev): -3.9679 -3.9679 1.1581 1.1581 3.7187 3.7187 9.0501 9.0501 13.2180 13.2180 13.4380 13.4380 15.6987 15.6987 17.2096 17.2096 k = 0.2381 0.1375-0.0000 ( 359 PWs) bands (ev): -3.8806 -3.8806 1.2399 1.2399 3.8065 3.8065 8.7767 8.7767 13.0732 13.0732 13.2549 13.2549 15.5220 15.5220 17.1357 17.1357 k = 0.2460 0.1420-0.0000 ( 359 PWs) bands (ev): -3.7904 -3.7904 1.3241 1.3241 3.8972 3.8972 8.5058 8.5058 12.8816 12.8816 13.1199 13.1199 15.3381 15.3381 17.0623 17.0623 k = 0.2540 0.1466-0.0000 ( 359 PWs) bands (ev): -3.6973 -3.6973 1.4107 1.4107 3.9907 3.9907 8.2377 8.2377 12.6633 12.6633 13.0133 13.0133 15.1477 15.1477 16.9897 16.9897 k = 0.2619 0.1512-0.0000 ( 359 PWs) bands (ev): -3.6012 -3.6012 1.4995 1.4995 4.0869 4.0869 7.9724 7.9724 12.4356 12.4356 12.9180 12.9180 14.9519 14.9519 16.9182 16.9182 k = 0.2698 0.1558-0.0000 ( 363 PWs) bands (ev): -3.5024 -3.5024 1.5904 1.5904 4.1859 4.1859 7.7077 7.7077 12.2038 12.2038 12.8286 12.8286 14.7512 14.7512 16.8476 16.8476 k = 0.2778 0.1604-0.0000 ( 367 PWs) bands (ev): -3.4007 -3.4007 1.6832 1.6832 4.2876 4.2876 7.4486 7.4486 11.9705 11.9705 12.7432 12.7432 14.5456 14.5456 16.7779 16.7779 k = 0.2857 0.1650-0.0000 ( 367 PWs) bands (ev): -3.2961 -3.2961 1.7779 1.7779 4.3920 4.3920 7.1935 7.1935 11.7373 11.7373 12.6614 12.6614 14.3380 14.3380 16.7099 16.7099 k = 0.2937 0.1695-0.0000 ( 367 PWs) bands (ev): -3.1886 -3.1886 1.8740 1.8740 4.4990 4.4990 6.9423 6.9423 11.5042 11.5042 12.5828 12.5828 14.1280 14.1280 16.6384 16.6384 k = 0.3016 0.1741-0.0000 ( 367 PWs) bands (ev): -3.0782 -3.0782 1.9714 1.9714 4.6085 4.6085 6.6953 6.6953 11.2714 11.2714 12.5072 12.5072 13.9161 13.9161 16.5493 16.5493 k = 0.3095 0.1787-0.0000 ( 369 PWs) bands (ev): -2.9651 -2.9651 2.0696 2.0696 4.7206 4.7206 6.4529 6.4529 11.0391 11.0391 12.4345 12.4345 13.7007 13.7007 16.4607 16.4607 k = 0.3175 0.1833-0.0000 ( 369 PWs) bands (ev): -2.8492 -2.8492 2.1681 2.1681 4.8349 4.8349 6.2161 6.2161 10.8082 10.8082 12.3646 12.3646 13.4869 13.4869 16.3770 16.3770 k = 0.3254 0.1879-0.0000 ( 371 PWs) bands (ev): -2.7305 -2.7305 2.2663 2.2663 4.9515 4.9515 5.9853 5.9853 10.5785 10.5785 12.2974 12.2974 13.2730 13.2730 16.2969 16.2969 k = 0.3333 0.1925-0.0000 ( 371 PWs) bands (ev): -2.6091 -2.6091 2.3631 2.3631 5.0697 5.0697 5.7624 5.7624 10.3502 10.3502 12.2331 12.2331 13.0593 13.0593 16.2212 16.2212 k = 0.3413 0.1970-0.0000 ( 371 PWs) bands (ev): -2.4850 -2.4850 2.4572 2.4572 5.1876 5.1876 5.5504 5.5504 10.1235 10.1235 12.1715 12.1715 12.8464 12.8464 16.1495 16.1495 k = 0.3492 0.2016-0.0000 ( 371 PWs) bands (ev): -2.3583 -2.3583 2.5468 2.5468 5.2736 5.2736 5.3828 5.3828 9.8986 9.8986 12.1124 12.1124 12.6349 12.6349 16.0817 16.0817 k = 0.3571 0.2062-0.0000 ( 369 PWs) bands (ev): -2.2289 -2.2289 2.6296 2.6296 5.1343 5.1343 5.4555 5.4555 9.6756 9.6756 12.0552 12.0552 12.4258 12.4258 16.0196 16.0196 k = 0.3651 0.2108-0.0000 ( 369 PWs) bands (ev): -2.0970 -2.0970 2.7016 2.7016 4.9624 4.9624 5.5790 5.5790 9.4547 9.4547 11.9981 11.9981 12.2212 12.2212 15.9593 15.9593 k = 0.3730 0.2154-0.0000 ( 365 PWs) bands (ev): -1.9627 -1.9627 2.7581 2.7581 4.8088 4.8088 5.7076 5.7076 9.2360 9.2360 11.9275 11.9275 12.0352 12.0352 15.9027 15.9027 k = 0.3810 0.2199-0.0000 ( 365 PWs) bands (ev): -1.8260 -1.8260 2.7932 2.7932 4.6817 4.6817 5.8382 5.8382 9.0197 9.0197 11.7791 11.7791 11.9323 11.9323 15.8497 15.8497 k = 0.3889 0.2245-0.0000 ( 368 PWs) bands (ev): -1.6868 -1.6868 2.8002 2.8002 4.5883 4.5883 5.9703 5.9703 8.8060 8.8060 11.5863 11.5863 11.8788 11.8788 15.7977 15.7977 k = 0.3968 0.2291-0.0000 ( 368 PWs) bands (ev): -1.5454 -1.5454 2.7741 2.7741 4.5336 4.5336 6.1039 6.1039 8.5943 8.5943 11.3890 11.3890 11.8353 11.8353 15.7477 15.7477 k = 0.4048 0.2337-0.0000 ( 370 PWs) bands (ev): -1.4024 -1.4024 2.7137 2.7137 4.5199 4.5199 6.2383 6.2383 8.3860 8.3860 11.1949 11.1949 11.7963 11.7963 15.7071 15.7071 k = 0.4127 0.2383-0.0000 ( 370 PWs) bands (ev): -1.2577 -1.2577 2.6221 2.6221 4.5433 4.5433 6.3723 6.3723 8.1809 8.1809 11.0053 11.0053 11.7610 11.7610 15.6683 15.6683 k = 0.4206 0.2429-0.0000 ( 366 PWs) bands (ev): -1.1117 -1.1117 2.5057 2.5057 4.5978 4.5978 6.5055 6.5055 7.9793 7.9793 10.8209 10.8209 11.7289 11.7289 15.6337 15.6337 k = 0.4286 0.2474-0.0000 ( 366 PWs) bands (ev): -0.9648 -0.9648 2.3714 2.3714 4.6767 4.6767 6.6372 6.6372 7.7815 7.7815 10.6422 10.6422 11.7000 11.7000 15.6018 15.6018 k = 0.4365 0.2520-0.0000 ( 366 PWs) bands (ev): -0.8177 -0.8177 2.2257 2.2257 4.7738 4.7738 6.7660 6.7660 7.5881 7.5881 10.4706 10.4706 11.6742 11.6742 15.5733 15.5733 k = 0.4444 0.2566-0.0000 ( 366 PWs) bands (ev): -0.6713 -0.6713 2.0740 2.0740 4.8842 4.8842 6.8898 6.8898 7.4005 7.4005 10.3078 10.3078 11.6514 11.6514 15.5482 15.5482 k = 0.4524 0.2612-0.0000 ( 366 PWs) bands (ev): -0.5268 -0.5268 1.9206 1.9206 5.0038 5.0038 7.0023 7.0023 7.2238 7.2238 10.1555 10.1555 11.6317 11.6317 15.5265 15.5265 k = 0.4603 0.2658-0.0000 ( 366 PWs) bands (ev): -0.3865 -0.3865 1.7700 1.7700 5.1290 5.1290 7.0110 7.0110 7.1497 7.1497 10.0164 10.0164 11.6150 11.6150 15.5081 15.5081 k = 0.4683 0.2703-0.0000 ( 366 PWs) bands (ev): -0.2534 -0.2534 1.6270 1.6270 5.2559 5.2559 6.8588 6.8588 7.2344 7.2344 9.8936 9.8936 11.6014 11.6014 15.4931 15.4931 k = 0.4762 0.2749-0.0000 ( 366 PWs) bands (ev): -0.1325 -0.1325 1.4977 1.4977 5.3790 5.3790 6.7070 6.7070 7.3165 7.3165 9.7878 9.7878 11.5908 11.5908 15.4789 15.4789 k = 0.4841 0.2795-0.0000 ( 366 PWs) bands (ev): -0.0324 -0.0324 1.3909 1.3909 5.4896 5.4896 6.5758 6.5758 7.3808 7.3808 9.7099 9.7099 11.5832 11.5832 15.4706 15.4706 k = 0.4921 0.2841-0.0000 ( 366 PWs) bands (ev): 0.0360 0.0360 1.3183 1.3183 5.5718 5.5718 6.4812 6.4812 7.4218 7.4218 9.6610 9.6610 11.5787 11.5787 15.4656 15.4656 k = 0.5000 0.2887-0.0000 ( 366 PWs) bands (ev): 0.0606 0.0606 1.2923 1.2923 5.6035 5.6035 6.4455 6.4455 7.4359 7.4359 9.6443 9.6443 11.5771 11.5771 15.4639 15.4639 k = 0.5000 0.2887-0.0000 ( 366 PWs) bands (ev): 0.0606 0.0606 1.2923 1.2923 5.6035 5.6035 6.4455 6.4455 7.4359 7.4359 9.6443 9.6443 11.5771 11.5771 15.4639 15.4639 k = 0.4954 0.2967-0.0000 ( 366 PWs) bands (ev): 0.0621 0.0621 1.2937 1.2937 5.6045 5.6045 6.4470 6.4470 7.4375 7.4375 9.6452 9.6452 11.5514 11.5514 15.4930 15.4930 k = 0.4907 0.3047-0.0000 ( 366 PWs) bands (ev): 0.0665 0.0665 1.2977 1.2977 5.6077 5.6077 6.4516 6.4516 7.4421 7.4421 9.6481 9.6481 11.4766 11.4766 15.5782 15.6769 k = 0.4861 0.3127-0.0000 ( 366 PWs) bands (ev): 0.0739 0.0739 1.3044 1.3044 5.6130 5.6130 6.4592 6.4592 7.4498 7.4498 9.6529 9.6529 11.3585 11.3585 15.5892 15.5893 k = 0.4815 0.3208-0.0000 ( 366 PWs) bands (ev): 0.0842 0.0842 1.3138 1.3138 5.6204 5.6204 6.4699 6.4699 7.4606 7.4606 9.6596 9.6596 11.2048 11.2048 15.4715 15.4715 k = 0.4769 0.3288-0.0000 ( 366 PWs) bands (ev): 0.0974 0.0974 1.3259 1.3259 5.6297 5.6297 6.4836 6.4836 7.4745 7.4745 9.6681 9.6681 11.0235 11.0235 15.3275 15.3275 k = 0.4722 0.3368-0.0000 ( 370 PWs) bands (ev): 0.1135 0.1135 1.3405 1.3405 5.6409 5.6409 6.5004 6.5004 7.4915 7.4915 9.6767 9.6767 10.8214 10.8214 15.1612 15.1612 k = 0.4676 0.3448-0.0000 ( 370 PWs) bands (ev): 0.1326 0.1326 1.3578 1.3578 5.6539 5.6539 6.5202 6.5202 7.5115 7.5115 9.6888 9.6888 10.6043 10.6043 14.9766 14.9766 k = 0.4630 0.3528-0.0000 ( 374 PWs) bands (ev): 0.1547 0.1547 1.3778 1.3778 5.6686 5.6686 6.5430 6.5430 7.5346 7.5346 9.7023 9.7023 10.3765 10.3765 14.7769 14.7769 k = 0.4583 0.3608-0.0000 ( 370 PWs) bands (ev): 0.1797 0.1797 1.4002 1.4002 5.6849 5.6849 6.5692 6.5692 7.5617 7.5617 9.7214 9.7214 10.1423 10.1423 14.5654 14.5654 k = 0.4537 0.3689-0.0000 ( 370 PWs) bands (ev): 0.2076 0.2076 1.4252 1.4252 5.7021 5.7021 6.5981 6.5981 7.5910 7.5910 9.7380 9.7380 9.9038 9.9038 14.3443 14.3443 k = 0.4491 0.3769-0.0000 ( 370 PWs) bands (ev): 0.2384 0.2384 1.4527 1.4527 5.7201 5.7201 6.6300 6.6300 7.6233 7.6233 9.6632 9.6632 9.7561 9.7561 14.1157 14.1157 k = 0.4444 0.3849-0.0000 ( 364 PWs) bands (ev): 0.2722 0.2722 1.4826 1.4826 5.7384 5.7384 6.6649 6.6649 7.6587 7.6587 9.4235 9.4235 9.7753 9.7753 13.8814 13.8814 k = 0.4398 0.3929-0.0000 ( 368 PWs) bands (ev): 0.3089 0.3089 1.5148 1.5148 5.7565 5.7565 6.7028 6.7028 7.6969 7.6969 9.1853 9.1853 9.7949 9.7949 13.6419 13.6419 k = 0.4352 0.4009-0.0000 ( 368 PWs) bands (ev): 0.3485 0.3485 1.5492 1.5492 5.7737 5.7737 6.7435 6.7435 7.7381 7.7381 8.9511 8.9511 9.8157 9.8157 13.4002 13.4002 k = 0.4306 0.4090-0.0000 ( 370 PWs) bands (ev): 0.3910 0.3910 1.5858 1.5858 5.7890 5.7890 6.7874 6.7874 7.7821 7.7821 8.7223 8.7223 9.8375 9.8375 13.1548 13.1548 k = 0.4259 0.4170-0.0000 ( 370 PWs) bands (ev): 0.4363 0.4363 1.6244 1.6244 5.8009 5.8009 6.8340 6.8340 7.8282 7.8282 8.5023 8.5023 9.8590 9.8590 12.9095 12.9095 k = 0.4213 0.4250-0.0000 ( 370 PWs) bands (ev): 0.4846 0.4846 1.6649 1.6649 5.8077 5.8077 6.8834 6.8834 7.8752 7.8752 8.2944 8.2944 9.8803 9.8803 12.6636 12.6636 k = 0.4167 0.4330-0.0000 ( 368 PWs) bands (ev): 0.5358 0.5358 1.7072 1.7072 5.8074 5.8074 6.9356 6.9356 7.9151 7.9151 8.1096 8.1096 9.9012 9.9012 12.4177 12.4177 k = 0.4120 0.4410-0.0000 ( 368 PWs) bands (ev): 0.5898 0.5898 1.7508 1.7508 5.7968 5.7968 6.9903 6.9903 7.8698 7.8698 8.0290 8.0290 9.9210 9.9210 12.1723 12.1723 k = 0.4074 0.4491-0.0000 ( 372 PWs) bands (ev): 0.6467 0.6467 1.7956 1.7956 5.7728 5.7728 7.0472 7.0472 7.7235 7.7235 8.0689 8.0689 9.9394 9.9394 11.9269 11.9269 k = 0.4028 0.4571-0.0000 ( 372 PWs) bands (ev): 0.7064 0.7064 1.8413 1.8413 5.7320 5.7320 7.1061 7.1061 7.5901 7.5901 8.1274 8.1274 9.9557 9.9557 11.6838 11.6838 k = 0.3981 0.4651-0.0000 ( 372 PWs) bands (ev): 0.7689 0.7689 1.8875 1.8875 5.6716 5.6716 7.1658 7.1658 7.4831 7.4831 8.1915 8.1915 9.9692 9.9692 11.4424 11.4424 k = 0.3935 0.4731-0.0000 ( 372 PWs) bands (ev): 0.8342 0.8342 1.9335 1.9335 5.5904 5.5904 7.2225 7.2225 7.4096 7.4096 8.2596 8.2596 9.9791 9.9791 11.2033 11.2033 k = 0.3889 0.4811-0.0000 ( 372 PWs) bands (ev): 0.9022 0.9022 1.9789 1.9789 5.4892 5.4892 7.2630 7.2630 7.3832 7.3832 8.3312 8.3312 9.9844 9.9844 10.9668 10.9668 k = 0.3843 0.4891-0.0000 ( 372 PWs) bands (ev): 0.9730 0.9730 2.0228 2.0228 5.3714 5.3714 7.2735 7.2735 7.4154 7.4154 8.4059 8.4059 9.9838 9.9838 10.7337 10.7337 k = 0.3796 0.4972-0.0000 ( 372 PWs) bands (ev): 1.0466 1.0466 2.0641 2.0641 5.2413 5.2413 7.2800 7.2800 7.4767 7.4767 8.4837 8.4837 9.9758 9.9758 10.5052 10.5052 k = 0.3750 0.5052-0.0000 ( 372 PWs) bands (ev): 1.1228 1.1228 2.1015 2.1015 5.1042 5.1042 7.2986 7.2986 7.5471 7.5471 8.5646 8.5646 9.9567 9.9567 10.2842 10.2842 k = 0.3704 0.5132-0.0000 ( 372 PWs) bands (ev): 1.2017 1.2017 2.1335 2.1335 4.9652 4.9652 7.3304 7.3304 7.6211 7.6211 8.6485 8.6485 9.9121 9.9121 10.0847 10.0847 k = 0.3657 0.5212-0.0000 ( 372 PWs) bands (ev): 1.2832 1.2832 2.1580 2.1580 4.8292 4.8292 7.3742 7.3742 7.6969 7.6969 8.7354 8.7354 9.7845 9.7845 9.9643 9.9643 k = 0.3611 0.5292-0.0000 ( 372 PWs) bands (ev): 1.3672 1.3672 2.1727 2.1727 4.7009 4.7009 7.4280 7.4280 7.7726 7.7726 8.8251 8.8251 9.5927 9.5927 9.9047 9.9047 k = 0.3565 0.5373-0.0000 ( 368 PWs) bands (ev): 1.4537 1.4537 2.1751 2.1751 4.5848 4.5848 7.4906 7.4906 7.8464 7.8464 8.9178 8.9178 9.3958 9.3958 9.8489 9.8489 k = 0.3519 0.5453-0.0000 ( 368 PWs) bands (ev): 1.5427 1.5427 2.1621 2.1621 4.4849 4.4849 7.5600 7.5600 7.9142 7.9142 9.0117 9.0117 9.2091 9.2091 9.7851 9.7851 k = 0.3472 0.5533-0.0000 ( 368 PWs) bands (ev): 1.6339 1.6339 2.1314 2.1314 4.4048 4.4048 7.6353 7.6353 7.9697 7.9697 9.0272 9.0272 9.1215 9.1215 9.7114 9.7114 k = 0.3426 0.5613-0.0000 ( 368 PWs) bands (ev): 1.7274 1.7274 2.0814 2.0814 4.3469 4.3469 7.7151 7.7151 8.0018 8.0018 8.8927 8.8927 9.2176 9.2176 9.6273 9.6273 k = 0.3380 0.5693-0.0000 ( 372 PWs) bands (ev): 1.8227 1.8227 2.0114 2.0114 4.3121 4.3121 7.7951 7.7951 7.9959 7.9959 8.8011 8.8011 9.3212 9.3212 9.5324 9.5324 k = 0.3333 0.5774-0.0000 ( 372 PWs) bands (ev): 1.9091 1.9091 1.9333 1.9333 4.3009 4.3009 7.8467 7.8467 7.9686 7.9686 8.7713 8.7713 9.4259 9.4259 9.4307 9.4307 k = 0.3333 0.5774-0.0000 ( 372 PWs) bands (ev): 1.9091 1.9091 1.9333 1.9333 4.3009 4.3009 7.8467 7.8467 7.9686 7.9686 8.7713 8.7713 9.4259 9.4259 9.4307 9.4307 k = 0.3287 0.5693-0.0000 ( 372 PWs) bands (ev): 1.8134 1.8134 2.0214 2.0214 4.3115 4.3115 7.7758 7.7758 8.0206 8.0206 8.7956 8.7956 9.3155 9.3155 9.5384 9.5384 k = 0.3241 0.5613-0.0000 ( 372 PWs) bands (ev): 1.6918 1.6918 2.1222 2.1222 4.3416 4.3416 7.6387 7.6387 8.1132 8.1132 8.8557 8.8557 9.1956 9.1956 9.6514 9.6514 k = 0.3194 0.5533-0.0000 ( 368 PWs) bands (ev): 1.5576 1.5576 2.2247 2.2247 4.3892 4.3892 7.4810 7.4810 8.2159 8.2159 8.9334 8.9334 9.0740 9.0740 9.7679 9.7679 k = 0.3148 0.5453-0.0000 ( 368 PWs) bands (ev): 1.4137 1.4137 2.3283 2.3283 4.4511 4.4511 7.3155 7.3155 8.3229 8.3229 8.9174 8.9174 9.0537 9.0537 9.8865 9.8865 k = 0.3102 0.5373-0.0000 ( 364 PWs) bands (ev): 1.2623 1.2623 2.4328 2.4328 4.5259 4.5259 7.1479 7.1479 8.4330 8.4330 8.7873 8.7873 9.1545 9.1545 10.0081 10.0081 k = 0.3056 0.5292-0.0000 ( 364 PWs) bands (ev): 1.1053 1.1053 2.5375 2.5375 4.6111 4.6111 6.9813 6.9813 8.5356 8.5356 8.6579 8.6579 9.2672 9.2672 10.1322 10.1322 k = 0.3009 0.5212-0.0000 ( 368 PWs) bands (ev): 0.9442 0.9442 2.6418 2.6418 4.7055 4.7055 6.8179 6.8179 8.4807 8.4807 8.6845 8.6845 9.3859 9.3859 10.2589 10.2589 k = 0.2963 0.5132-0.0000 ( 368 PWs) bands (ev): 0.7807 0.7807 2.7452 2.7452 4.8081 4.8081 6.6594 6.6594 8.3364 8.3364 8.8018 8.8018 9.5102 9.5102 10.3883 10.3883 k = 0.2917 0.5052-0.0000 ( 368 PWs) bands (ev): 0.6154 0.6154 2.8468 2.8468 4.9178 4.9178 6.5074 6.5074 8.1857 8.1857 8.9267 8.9267 9.6389 9.6389 10.5204 10.5204 k = 0.2870 0.4972-0.0000 ( 368 PWs) bands (ev): 0.4494 0.4494 2.9454 2.9454 5.0339 5.0339 6.3632 6.3632 8.0327 8.0327 9.0559 9.0559 9.7715 9.7715 10.6551 10.6551 k = 0.2824 0.4891-0.0000 ( 368 PWs) bands (ev): 0.2831 0.2831 3.0396 3.0396 5.1558 5.1558 6.2287 6.2287 7.8785 7.8785 9.1885 9.1885 9.9076 9.9076 10.7923 10.7923 k = 0.2778 0.4811-0.0000 ( 368 PWs) bands (ev): 0.1171 0.1171 3.1277 3.1277 5.2828 5.2828 6.1057 6.1057 7.7237 7.7237 9.3244 9.3244 10.0471 10.0471 10.9320 10.9320 k = 0.2731 0.4731-0.0000 ( 370 PWs) bands (ev): -0.0481 -0.0481 3.2076 3.2076 5.4145 5.4145 5.9963 5.9963 7.5672 7.5672 9.4634 9.4634 10.1898 10.1898 11.0741 11.0741 k = 0.2685 0.4651-0.0000 ( 370 PWs) bands (ev): -0.2123 -0.2123 3.2767 3.2767 5.5499 5.5499 5.9045 5.9045 7.4126 7.4126 9.6055 9.6055 10.3356 10.3356 11.2187 11.2187 k = 0.2639 0.4571-0.0000 ( 370 PWs) bands (ev): -0.3751 -0.3751 3.3325 3.3325 5.6855 5.6855 5.8360 5.8360 7.2586 7.2586 9.7506 9.7506 10.4843 10.4843 11.3656 11.3656 k = 0.2593 0.4491-0.0000 ( 370 PWs) bands (ev): -0.5362 -0.5362 3.3722 3.3722 5.7577 5.7577 5.8567 5.8567 7.1057 7.1057 9.8986 9.8986 10.6360 10.6360 11.5148 11.5148 k = 0.2546 0.4410-0.0000 ( 368 PWs) bands (ev): -0.6956 -0.6956 3.3935 3.3935 5.7393 5.7393 5.9949 5.9949 6.9533 6.9533 10.0497 10.0497 10.7906 10.7906 11.6687 11.6687 k = 0.2500 0.4330-0.0000 ( 370 PWs) bands (ev): -0.8533 -0.8533 3.3949 3.3949 5.7385 5.7385 6.1454 6.1454 6.8037 6.8037 10.2033 10.2033 10.9472 10.9472 11.8223 11.8223 k = 0.2454 0.4250-0.0000 ( 370 PWs) bands (ev): -1.0085 -1.0085 3.3765 3.3765 5.7619 5.7619 6.2992 6.2992 6.6573 6.6573 10.3598 10.3598 11.1070 11.1070 11.9781 11.9781 k = 0.2407 0.4170-0.0000 ( 370 PWs) bands (ev): -1.1616 -1.1616 3.3393 3.3393 5.8092 5.8092 6.4374 6.4374 6.5327 6.5327 10.5189 10.5189 11.2694 11.2694 12.1358 12.1358 k = 0.2361 0.4090-0.0000 ( 370 PWs) bands (ev): -1.3123 -1.3123 3.2855 3.2855 5.8774 5.8774 6.3551 6.3551 6.6355 6.6355 10.6808 10.6808 11.4343 11.4343 12.2954 12.2954 k = 0.2315 0.4009-0.0000 ( 370 PWs) bands (ev): -1.4606 -1.4606 3.2177 3.2177 5.9605 5.9605 6.2221 6.2221 6.7993 6.7993 10.8452 10.8452 11.6017 11.6017 12.4569 12.4569 k = 0.2269 0.3929-0.0000 ( 370 PWs) bands (ev): -1.6065 -1.6065 3.1386 3.1386 6.0112 6.0112 6.1382 6.1382 6.9686 6.9686 11.0120 11.0120 11.7718 11.7718 12.6206 12.6206 k = 0.2222 0.3849-0.0000 ( 370 PWs) bands (ev): -1.7497 -1.7497 3.0508 3.0508 5.9121 5.9121 6.2203 6.2203 7.1421 7.1421 11.1815 11.1815 11.9439 11.9439 12.7853 12.7853 k = 0.2176 0.3769-0.0000 ( 374 PWs) bands (ev): -1.8908 -1.8908 2.9564 2.9564 5.7804 5.7804 6.3489 6.3489 7.3189 7.3189 11.3532 11.3532 12.1180 12.1180 12.9506 12.9506 k = 0.2130 0.3689-0.0000 ( 370 PWs) bands (ev): -2.0287 -2.0287 2.8574 2.8574 5.6474 5.6474 6.4935 6.4935 7.5004 7.5004 11.5277 11.5277 12.2975 12.2975 13.1182 13.1182 k = 0.2083 0.3608-0.0000 ( 366 PWs) bands (ev): -2.1640 -2.1640 2.7550 2.7550 5.5155 5.5155 6.6474 6.6474 7.6837 7.6837 11.7042 11.7042 12.4777 12.4777 13.2894 13.2894 k = 0.2037 0.3528-0.0000 ( 366 PWs) bands (ev): -2.2966 -2.2966 2.6506 2.6506 5.3856 5.3856 6.8096 6.8096 7.8699 7.8699 11.8828 11.8828 12.6582 12.6582 13.4590 13.4590 k = 0.1991 0.3448-0.0000 ( 366 PWs) bands (ev): -2.4264 -2.4264 2.5450 2.5450 5.2578 5.2578 6.9791 6.9791 8.0590 8.0590 12.0635 12.0635 12.8406 12.8406 13.6294 13.6294 k = 0.1944 0.3368-0.0000 ( 366 PWs) bands (ev): -2.5535 -2.5535 2.4389 2.4389 5.1324 5.1324 7.1551 7.1551 8.2510 8.2510 12.2462 12.2462 13.0247 13.0247 13.8003 13.8003 k = 0.1898 0.3288-0.0000 ( 364 PWs) bands (ev): -2.6777 -2.6777 2.3330 2.3330 5.0094 5.0094 7.3369 7.3369 8.4459 8.4459 12.4307 12.4307 13.2104 13.2104 13.9727 13.9727 k = 0.1852 0.3208-0.0000 ( 368 PWs) bands (ev): -2.7990 -2.7990 2.2277 2.2277 4.8890 4.8890 7.5239 7.5239 8.6435 8.6435 12.6170 12.6170 13.3975 13.3975 14.1434 14.1434 k = 0.1806 0.3127-0.0000 ( 368 PWs) bands (ev): -2.9175 -2.9175 2.1235 2.1235 4.7713 4.7713 7.7159 7.7159 8.8438 8.8438 12.8048 12.8048 13.5859 13.5859 14.3145 14.3145 k = 0.1759 0.3047-0.0000 ( 366 PWs) bands (ev): -3.0332 -3.0332 2.0205 2.0205 4.6562 4.6562 7.9126 7.9126 9.0473 9.0473 12.9952 12.9952 13.7761 13.7761 14.4851 14.4851 k = 0.1713 0.2967-0.0000 ( 366 PWs) bands (ev): -3.1459 -3.1459 1.9192 1.9192 4.5437 4.5437 8.1134 8.1134 9.2528 9.2528 13.1857 13.1857 13.9665 13.9665 14.6548 14.6548 k = 0.1667 0.2887-0.0000 ( 366 PWs) bands (ev): -3.2557 -3.2557 1.8196 1.8196 4.4341 4.4341 8.3182 8.3182 9.4607 9.4607 13.3773 13.3773 14.1575 14.1575 14.8233 14.8233 k = 0.1620 0.2807-0.0000 ( 366 PWs) bands (ev): -3.3626 -3.3626 1.7219 1.7219 4.3272 4.3272 8.5268 8.5268 9.6710 9.6710 13.5698 13.5698 14.3489 14.3489 14.9902 14.9902 k = 0.1574 0.2726-0.0000 ( 366 PWs) bands (ev): -3.4665 -3.4665 1.6263 1.6263 4.2231 4.2231 8.7391 8.7391 9.8836 9.8836 13.7628 13.7628 14.5405 14.5405 15.1550 15.1550 k = 0.1528 0.2646-0.0000 ( 362 PWs) bands (ev): -3.5675 -3.5675 1.5329 1.5329 4.1218 4.1218 8.9559 8.9559 10.0998 10.0998 13.9562 13.9562 14.7328 14.7328 15.3176 15.3176 k = 0.1481 0.2566-0.0000 ( 366 PWs) bands (ev): -3.6657 -3.6657 1.4419 1.4419 4.0234 4.0234 9.1748 9.1748 10.3168 10.3168 14.1496 14.1496 14.9221 14.9221 15.4765 15.4765 k = 0.1435 0.2486-0.0000 ( 366 PWs) bands (ev): -3.7608 -3.7608 1.3532 1.3532 3.9278 3.9278 9.3970 9.3970 10.5358 10.5358 14.3426 14.3426 15.1117 15.1117 15.6326 15.6326 k = 0.1389 0.2406-0.0000 ( 362 PWs) bands (ev): -3.8529 -3.8529 1.2670 1.2670 3.8351 3.8351 9.6228 9.6228 10.7587 10.7587 14.5362 14.5362 15.2996 15.2996 15.7850 15.7850 k = 0.1343 0.2325-0.0000 ( 364 PWs) bands (ev): -3.9420 -3.9420 1.1832 1.1832 3.7451 3.7451 9.8508 9.8508 10.9815 10.9815 14.7274 14.7274 15.4852 15.4852 15.9328 15.9328 k = 0.1296 0.2245-0.0000 ( 362 PWs) bands (ev): -4.0282 -4.0282 1.1021 1.1021 3.6583 3.6583 10.0823 10.0823 11.2059 11.2059 14.9172 14.9172 15.6680 15.6680 16.0766 16.0766 k = 0.1250 0.2165-0.0000 ( 362 PWs) bands (ev): -4.1113 -4.1113 1.0236 1.0236 3.5743 3.5743 10.3159 10.3159 11.4316 11.4316 15.1042 15.1042 15.8465 15.8465 16.2159 16.2159 k = 0.1204 0.2085-0.0000 ( 362 PWs) bands (ev): -4.1915 -4.1915 0.9477 0.9477 3.4934 3.4934 10.5521 10.5521 11.6585 11.6585 15.2883 15.2883 16.0195 16.0195 16.3509 16.3509 k = 0.1157 0.2005-0.0000 ( 362 PWs) bands (ev): -4.2686 -4.2686 0.8746 0.8746 3.4154 3.4154 10.7907 10.7907 11.8865 11.8865 15.4688 15.4688 16.1854 16.1854 16.4823 16.4823 k = 0.1111 0.1925-0.0000 ( 362 PWs) bands (ev): -4.3427 -4.3427 0.8041 0.8041 3.3404 3.3404 11.0315 11.0315 12.1153 12.1153 15.6448 15.6448 16.3419 16.3419 16.6112 16.6112 k = 0.1065 0.1844-0.0000 ( 362 PWs) bands (ev): -4.4139 -4.4139 0.7365 0.7365 3.2683 3.2683 11.2744 11.2744 12.3445 12.3445 15.8156 15.8156 16.4865 16.4865 16.7391 16.7392 k = 0.1019 0.1764-0.0000 ( 362 PWs) bands (ev): -4.4820 -4.4820 0.6715 0.6715 3.1993 3.1993 11.5192 11.5192 12.5740 12.5740 15.9803 15.9803 16.6169 16.6169 16.8675 16.8675 k = 0.0972 0.1684-0.0000 ( 362 PWs) bands (ev): -4.5471 -4.5471 0.6094 0.6094 3.1333 3.1333 11.7656 11.7656 12.8034 12.8034 16.1380 16.1380 16.7323 16.7323 16.9963 16.9963 k = 0.0926 0.1604-0.0000 ( 362 PWs) bands (ev): -4.6092 -4.6092 0.5501 0.5501 3.0703 3.0703 12.0136 12.0136 13.0321 13.0321 16.2877 16.2877 16.8337 16.8337 17.1239 17.1239 k = 0.0880 0.1524-0.0000 ( 360 PWs) bands (ev): -4.6683 -4.6683 0.4936 0.4936 3.0103 3.0103 12.2630 12.2630 13.2599 13.2599 16.4285 16.4285 16.9233 16.9233 17.2489 17.2489 k = 0.0833 0.1443-0.0000 ( 360 PWs) bands (ev): -4.7243 -4.7243 0.4400 0.4400 2.9533 2.9533 12.5130 12.5130 13.4860 13.4860 16.5594 16.5594 17.0029 17.0029 17.3669 17.3669 k = 0.0787 0.1363-0.0000 ( 360 PWs) bands (ev): -4.7774 -4.7774 0.3892 0.3892 2.8994 2.8994 12.7636 12.7636 13.7100 13.7100 16.6796 16.6796 17.0748 17.0748 17.4771 17.4771 k = 0.0741 0.1283-0.0000 ( 364 PWs) bands (ev): -4.8274 -4.8274 0.3412 0.3412 2.8485 2.8485 13.0142 13.0142 13.9309 13.9309 16.7883 16.7883 17.1410 17.1410 17.5782 17.5782 k = 0.0694 0.1203-0.0000 ( 364 PWs) bands (ev): -4.8744 -4.8744 0.2961 0.2961 2.8006 2.8006 13.2646 13.2646 14.1482 14.1482 16.8845 16.8845 17.2032 17.2032 17.6692 17.6692 k = 0.0648 0.1123-0.0000 ( 362 PWs) bands (ev): -4.9184 -4.9184 0.2539 0.2539 2.7559 2.7559 13.5157 13.5157 14.3608 14.3608 16.9678 16.9678 17.2633 17.2633 17.7498 17.7498 k = 0.0602 0.1042-0.0000 ( 362 PWs) bands (ev): -4.9593 -4.9593 0.2146 0.2146 2.7142 2.7142 13.7634 13.7634 14.5675 14.5675 17.0379 17.0379 17.3228 17.3228 17.8195 17.8195 k = 0.0556 0.0962-0.0000 ( 362 PWs) bands (ev): -4.9972 -4.9972 0.1782 0.1782 2.6756 2.6756 14.0087 14.0087 14.7673 14.7673 17.0954 17.0954 17.3826 17.3826 17.8785 17.8785 k = 0.0509 0.0882-0.0000 ( 362 PWs) bands (ev): -5.0321 -5.0321 0.1447 0.1447 2.6400 2.6400 14.2504 14.2504 14.9588 14.9588 17.1416 17.1416 17.4426 17.4426 17.9269 17.9269 k = 0.0463 0.0802-0.0000 ( 362 PWs) bands (ev): -5.0639 -5.0639 0.1140 0.1140 2.6076 2.6076 14.4871 14.4871 15.1406 15.1406 17.1782 17.1782 17.5027 17.5027 17.9651 17.9651 k = 0.0417 0.0722-0.0000 ( 361 PWs) bands (ev): -5.0927 -5.0927 0.0863 0.0863 2.5782 2.5782 14.7172 14.7172 15.3119 15.3119 17.2070 17.2070 17.5622 17.5622 17.9935 17.9935 k = 0.0370 0.0642-0.0000 ( 365 PWs) bands (ev): -5.1185 -5.1185 0.0614 0.0614 2.5518 2.5518 14.9381 14.9381 15.4702 15.4702 17.2293 17.2293 17.6197 17.6197 18.0128 18.0128 k = 0.0324 0.0561-0.0000 ( 365 PWs) bands (ev): -5.1413 -5.1413 0.0395 0.0395 2.5286 2.5286 15.1474 15.1474 15.6156 15.6156 17.2464 17.2464 17.6751 17.6751 18.0241 18.0241 k = 0.0278 0.0481-0.0000 ( 369 PWs) bands (ev): -5.1610 -5.1610 0.0205 0.0205 2.5083 2.5083 15.3410 15.3410 15.7476 15.7476 17.2591 17.2591 17.7263 17.7263 18.0280 18.0280 k = 0.0231 0.0401-0.0000 ( 369 PWs) bands (ev): -5.1777 -5.1777 0.0044 0.0044 2.4913 2.4913 15.5138 15.5138 15.8663 15.8663 17.2680 17.2680 17.7713 17.7713 18.0282 18.0282 k = 0.0185 0.0321-0.0000 ( 369 PWs) bands (ev): -5.1913 -5.1913 -0.0088 -0.0088 2.4774 2.4774 15.6599 15.6599 15.9724 15.9724 17.2736 17.2736 17.8069 17.8069 18.0272 18.0272 k = 0.0139 0.0241-0.0000 ( 369 PWs) bands (ev): -5.2020 -5.2020 -0.0190 -0.0190 2.4666 2.4666 15.7738 15.7738 16.0653 16.0653 17.2765 17.2765 17.8303 17.8303 18.0282 18.0282 k = 0.0093 0.0160-0.0000 ( 373 PWs) bands (ev): -5.2095 -5.2095 -0.0263 -0.0263 2.4588 2.4588 15.8533 15.8533 16.1406 16.1406 17.2774 17.2774 17.8409 17.8409 18.0315 18.0315 k = 0.0046 0.0080-0.0000 ( 373 PWs) bands (ev): -5.2141 -5.2141 -0.0307 -0.0307 2.4541 2.4541 15.8995 15.8995 16.1907 16.1907 17.2773 17.2773 17.8443 17.8443 18.0363 18.0363 k = 0.0000 0.0000 0.0000 ( 373 PWs) bands (ev): -5.2156 -5.2156 -0.0321 -0.0321 2.4526 2.4526 15.9145 15.9145 16.2084 16.2084 17.2772 17.2772 17.8447 17.8447 18.0384 18.0384 k = 0.0000 0.0000 0.0000 ( 373 PWs) bands (ev): -5.2156 -5.2156 -0.0321 -0.0321 2.4526 2.4526 15.9145 15.9145 16.2084 16.2084 17.2772 17.2772 17.8447 17.8447 18.0384 18.0384 k = 0.0000 0.0000 0.0090 ( 373 PWs) bands (ev): -5.2142 -5.2142 -0.0455 -0.0455 2.4688 2.4688 15.9156 15.9156 16.2095 16.2095 17.2601 17.2601 17.8396 17.8396 18.0379 18.0379 k = 0.0000 0.0000 0.0180 ( 373 PWs) bands (ev): -5.2099 -5.2099 -0.0845 -0.0845 2.5164 2.5164 15.9188 15.9188 16.2128 16.2128 17.2081 17.2081 17.8258 17.8258 18.0364 18.0364 k = 0.0000 0.0000 0.0270 ( 373 PWs) bands (ev): -5.2028 -5.2028 -0.1464 -0.1464 2.5926 2.5926 15.9241 15.9241 16.2182 16.2182 17.1205 17.1205 17.8073 17.8073 18.0338 18.0338 k = 0.0000 0.0000 0.0360 ( 373 PWs) bands (ev): -5.1928 -5.1928 -0.2276 -0.2276 2.6939 2.6939 15.9316 15.9316 16.2259 16.2259 16.9978 16.9978 17.7876 17.7876 18.0302 18.0302 k = 0.0000 0.0000 0.0450 ( 367 PWs) bands (ev): -5.1800 -5.1800 -0.3243 -0.3243 2.8163 2.8163 15.9413 15.9413 16.2358 16.2358 16.8428 16.8428 17.7699 17.7699 18.0269 18.0269 k = 0.0000 0.0000 0.0540 ( 367 PWs) bands (ev): -5.1644 -5.1644 -0.4328 -0.4328 2.9563 2.9563 15.9530 15.9530 16.2478 16.2478 16.6596 16.6596 17.7525 17.7525 18.0210 18.0210 k = 0.0000 0.0000 0.0630 ( 367 PWs) bands (ev): -5.1459 -5.1459 -0.5502 -0.5502 3.1109 3.1109 15.9668 15.9668 16.2619 16.2619 16.4531 16.4531 17.7360 17.7360 18.0138 18.0138 k = 0.0000 0.0000 0.0720 ( 355 PWs) bands (ev): -5.1245 -5.1245 -0.6739 -0.6739 3.2778 3.2778 15.9831 15.9831 16.2274 16.2274 16.2786 16.2786 17.7212 17.7212 18.0066 18.0066 k = 0.0000 0.0000 0.0810 ( 355 PWs) bands (ev): -5.1003 -5.1003 -0.8022 -0.8022 3.4548 3.4548 15.9863 15.9863 16.0010 16.0010 16.2970 16.2970 17.7051 17.7051 17.9966 17.9966 k = 0.0000 0.0000 0.0900 ( 355 PWs) bands (ev): -5.0733 -5.0733 -0.9336 -0.9336 3.6404 3.6404 15.7329 15.7329 16.0209 16.0209 16.3173 16.3173 17.6886 17.6886 17.9851 17.9851 k = 0.0000 0.0000 0.0989 ( 355 PWs) bands (ev): -5.0434 -5.0434 -1.0669 -1.0669 3.8337 3.8337 15.4697 15.4697 16.0427 16.0427 16.3398 16.3398 17.6713 17.6713 17.9721 17.9721 k = 0.0000 0.0000 0.1079 ( 355 PWs) bands (ev): -5.0107 -5.0107 -1.2011 -1.2011 4.0336 4.0336 15.1986 15.1986 16.0665 16.0665 16.3642 16.3642 17.6529 17.6529 17.9573 17.9573 k = 0.0000 0.0000 0.1169 ( 355 PWs) bands (ev): -4.9752 -4.9752 -1.3356 -1.3356 4.2394 4.2394 14.9215 14.9215 16.0923 16.0923 16.3905 16.3905 17.6332 17.6332 17.9408 17.9408 k = 0.0000 0.0000 0.1259 ( 355 PWs) bands (ev): -4.9368 -4.9368 -1.4699 -1.4699 4.4506 4.4506 14.6395 14.6395 16.1198 16.1198 16.4188 16.4188 17.6119 17.6119 17.9224 17.9224 k = 0.0000 0.0000 0.1349 ( 355 PWs) bands (ev): -4.8956 -4.8956 -1.6034 -1.6034 4.6667 4.6667 14.3538 14.3538 16.1492 16.1492 16.4490 16.4490 17.5891 17.5891 17.9021 17.9021 k = 0.0000 0.0000 0.1439 ( 355 PWs) bands (ev): -4.8516 -4.8516 -1.7359 -1.7359 4.8874 4.8874 14.0653 14.0653 16.1804 16.1804 16.4809 16.4809 17.5646 17.5646 17.8798 17.8798 k = 0.0000 0.0000 0.1529 ( 355 PWs) bands (ev): -4.8047 -4.8047 -1.8670 -1.8670 5.1124 5.1124 13.7747 13.7747 16.2132 16.2132 16.5146 16.5146 17.5383 17.5383 17.8554 17.8554 k = 0.0000 0.0000 0.1619 ( 355 PWs) bands (ev): -4.7550 -4.7550 -1.9966 -1.9966 5.3414 5.3414 13.4828 13.4828 16.2477 16.2477 16.5500 16.5500 17.5101 17.5101 17.8290 17.8290 k = 0.0000 0.0000 0.1709 ( 355 PWs) bands (ev): -4.7025 -4.7025 -2.1244 -2.1244 5.5742 5.5742 13.1899 13.1899 16.2837 16.2837 16.5870 16.5870 17.4801 17.4801 17.8004 17.8004 k = 0.0000 0.0000 0.1799 ( 349 PWs) bands (ev): -4.6471 -4.6471 -2.2500 -2.2500 5.8135 5.8135 12.8972 12.8972 16.3214 16.3214 16.6256 16.6256 17.4483 17.4483 17.7698 17.7698 k = 0.0000 0.0000 0.1889 ( 349 PWs) bands (ev): -4.5890 -4.5890 -2.3739 -2.3739 6.0535 6.0535 12.6039 12.6039 16.3603 16.3603 16.6657 16.6657 17.4147 17.4147 17.7371 17.7371 k = 0.0000 0.0000 0.1979 ( 343 PWs) bands (ev): -4.5278 -4.5278 -2.4955 -2.4955 6.2973 6.2973 12.3113 12.3113 16.4009 16.4009 16.7073 16.7073 17.3793 17.3793 17.7025 17.7025 k = 0.0000 0.0000 0.2069 ( 349 PWs) bands (ev): -4.4641 -4.4641 -2.6150 -2.6150 6.5439 6.5439 12.0149 12.0149 16.4424 16.4424 16.7500 16.7500 17.3418 17.3418 17.6656 17.6656 k = 0.0000 0.0000 0.2159 ( 349 PWs) bands (ev): -4.3976 -4.3976 -2.7321 -2.7321 6.7937 6.7937 11.7234 11.7234 16.4852 16.4852 16.7938 16.7938 17.3031 17.3031 17.6271 17.6271 k = 0.0000 0.0000 0.2249 ( 349 PWs) bands (ev): -4.3282 -4.3282 -2.8469 -2.8469 7.0465 7.0465 11.4329 11.4329 16.5289 16.5289 16.8388 16.8388 17.2628 17.2628 17.5869 17.5869 k = 0.0000 0.0000 0.2339 ( 349 PWs) bands (ev): -4.2560 -4.2560 -2.9592 -2.9592 7.3022 7.3022 11.1438 11.1438 16.5736 16.5736 16.8847 16.8847 17.2211 17.2211 17.5451 17.5451 k = 0.0000 0.0000 0.2429 ( 349 PWs) bands (ev): -4.1811 -4.1811 -3.0690 -3.0690 7.5608 7.5608 10.8560 10.8560 16.6191 16.6191 16.9314 16.9314 17.1781 17.1781 17.5019 17.5019 k = 0.0000 0.0000 0.2519 ( 350 PWs) bands (ev): -4.1033 -4.1033 -3.1764 -3.1764 7.8219 7.8219 10.5698 10.5698 16.6654 16.6654 16.9788 16.9788 17.1340 17.1340 17.4573 17.4573 k = 0.0000 0.0000 0.2609 ( 350 PWs) bands (ev): -4.0229 -4.0229 -3.2811 -3.2811 8.0860 8.0860 10.2854 10.2854 16.7121 16.7121 17.0268 17.0268 17.0889 17.0889 17.4117 17.4117 k = 0.0000 0.0000 0.2699 ( 350 PWs) bands (ev): -3.9396 -3.9396 -3.3831 -3.3831 8.3526 8.3526 10.0029 10.0029 16.7593 16.7593 17.0430 17.0430 17.0752 17.0752 17.3650 17.3650 k = 0.0000 0.0000 0.2788 ( 350 PWs) bands (ev): -3.8536 -3.8536 -3.4826 -3.4826 8.6218 8.6218 9.7223 9.7223 16.8068 16.8068 16.9965 16.9965 17.1238 17.1238 17.3176 17.3176 k = 0.0000 0.0000 0.2878 ( 350 PWs) bands (ev): -3.7649 -3.7649 -3.5794 -3.5794 8.8935 8.8935 9.4438 9.4438 16.8544 16.8544 16.9494 16.9494 17.1726 17.1726 17.2696 17.2696 k = 0.0000 0.0000 0.2968 ( 350 PWs) bands (ev): -3.6735 -3.6735 -3.6735 -3.6735 9.1675 9.1675 9.1675 9.1675 16.9020 16.9020 16.9020 16.9020 17.2212 17.2212 17.2212 17.2212 k = 0.0000 0.0000 0.2968 ( 350 PWs) bands (ev): -3.6735 -3.6735 -3.6735 -3.6735 9.1675 9.1675 9.1675 9.1675 16.9020 16.9020 16.9020 16.9020 17.2212 17.2212 17.2212 17.2212 k = 0.0079 0.0046 0.2968 ( 350 PWs) bands (ev): -3.6720 -3.6720 -3.6720 -3.6720 9.1688 9.1688 9.1688 9.1688 16.8909 16.8909 16.8909 16.8909 17.2095 17.2095 17.2095 17.2095 k = 0.0159 0.0092 0.2968 ( 350 PWs) bands (ev): -3.6676 -3.6676 -3.6676 -3.6676 9.1727 9.1727 9.1727 9.1727 16.8567 16.8567 16.8567 16.8567 17.1761 17.1761 17.1761 17.1761 k = 0.0238 0.0137 0.2968 ( 350 PWs) bands (ev): -3.6602 -3.6602 -3.6602 -3.6602 9.1793 9.1793 9.1793 9.1793 16.7969 16.7969 16.7969 16.7969 17.1252 17.1252 17.1252 17.1252 k = 0.0317 0.0183 0.2968 ( 350 PWs) bands (ev): -3.6498 -3.6498 -3.6498 -3.6498 9.1885 9.1885 9.1885 9.1885 16.7086 16.7086 16.7086 16.7086 17.0629 17.0629 17.0629 17.0629 k = 0.0397 0.0229 0.2968 ( 350 PWs) bands (ev): -3.6364 -3.6364 -3.6364 -3.6364 9.2002 9.2002 9.2002 9.2002 16.5905 16.5905 16.5905 16.5905 16.9940 16.9940 16.9940 16.9940 k = 0.0476 0.0275 0.2968 ( 350 PWs) bands (ev): -3.6201 -3.6201 -3.6201 -3.6201 9.2145 9.2145 9.2145 9.2145 16.4441 16.4441 16.4441 16.4441 16.9211 16.9211 16.9211 16.9211 k = 0.0556 0.0321 0.2968 ( 350 PWs) bands (ev): -3.6009 -3.6009 -3.6009 -3.6009 9.2314 9.2314 9.2314 9.2314 16.2729 16.2729 16.2729 16.2729 16.8445 16.8445 16.8445 16.8445 k = 0.0635 0.0367 0.2968 ( 350 PWs) bands (ev): -3.5786 -3.5786 -3.5786 -3.5786 9.2509 9.2509 9.2509 9.2509 16.0808 16.0808 16.0808 16.0808 16.7642 16.7642 16.7642 16.7642 k = 0.0714 0.0412 0.2968 ( 350 PWs) bands (ev): -3.5534 -3.5534 -3.5534 -3.5534 9.2728 9.2728 9.2728 9.2728 15.8717 15.8717 15.8717 15.8717 16.6800 16.6800 16.6800 16.6800 k = 0.0794 0.0458 0.2968 ( 350 PWs) bands (ev): -3.5253 -3.5253 -3.5253 -3.5253 9.2972 9.2972 9.2972 9.2972 15.6486 15.6486 15.6486 15.6486 16.5920 16.5920 16.5920 16.5920 k = 0.0873 0.0504 0.2968 ( 350 PWs) bands (ev): -3.4941 -3.4941 -3.4941 -3.4941 9.3241 9.3241 9.3241 9.3241 15.4142 15.4142 15.4142 15.4142 16.5005 16.5005 16.5005 16.5005 k = 0.0952 0.0550 0.2968 ( 350 PWs) bands (ev): -3.4601 -3.4601 -3.4601 -3.4601 9.3533 9.3533 9.3533 9.3533 15.1707 15.1707 15.1707 15.1707 16.4059 16.4059 16.4059 16.4059 k = 0.1032 0.0596 0.2968 ( 354 PWs) bands (ev): -3.4230 -3.4230 -3.4230 -3.4230 9.3846 9.3846 9.3846 9.3846 14.9189 14.9189 14.9189 14.9189 16.3080 16.3080 16.3080 16.3080 k = 0.1111 0.0642 0.2968 ( 354 PWs) bands (ev): -3.3830 -3.3830 -3.3830 -3.3830 9.4183 9.4183 9.4183 9.4183 14.6622 14.6622 14.6622 14.6622 16.2087 16.2087 16.2087 16.2087 k = 0.1190 0.0687 0.2968 ( 354 PWs) bands (ev): -3.3401 -3.3401 -3.3401 -3.3401 9.4541 9.4541 9.4541 9.4541 14.4010 14.4010 14.4010 14.4010 16.1076 16.1076 16.1076 16.1076 k = 0.1270 0.0733 0.2968 ( 354 PWs) bands (ev): -3.2941 -3.2941 -3.2941 -3.2941 9.4919 9.4919 9.4919 9.4919 14.1366 14.1366 14.1366 14.1366 16.0053 16.0053 16.0053 16.0053 k = 0.1349 0.0779 0.2968 ( 358 PWs) bands (ev): -3.2453 -3.2453 -3.2453 -3.2453 9.5313 9.5313 9.5313 9.5313 13.8687 13.8687 13.8687 13.8687 15.9022 15.9022 15.9022 15.9022 k = 0.1429 0.0825 0.2968 ( 356 PWs) bands (ev): -3.1935 -3.1935 -3.1935 -3.1935 9.5726 9.5726 9.5726 9.5726 13.6010 13.6010 13.6010 13.6010 15.7986 15.7986 15.7986 15.7986 k = 0.1508 0.0871 0.2968 ( 356 PWs) bands (ev): -3.1387 -3.1387 -3.1387 -3.1387 9.6151 9.6151 9.6151 9.6151 13.3326 13.3326 13.3326 13.3326 15.6949 15.6949 15.6949 15.6949 k = 0.1587 0.0916 0.2968 ( 352 PWs) bands (ev): -3.0810 -3.0810 -3.0810 -3.0810 9.6597 9.6597 9.6597 9.6597 13.0654 13.0654 13.0654 13.0654 15.5914 15.5914 15.5914 15.5914 k = 0.1667 0.0962 0.2968 ( 352 PWs) bands (ev): -3.0203 -3.0203 -3.0203 -3.0203 9.7033 9.7033 9.7033 9.7033 12.7990 12.7990 12.7990 12.7990 15.4883 15.4883 15.4883 15.4883 k = 0.1746 0.1008 0.2968 ( 352 PWs) bands (ev): -2.9567 -2.9567 -2.9567 -2.9567 9.7464 9.7464 9.7464 9.7464 12.5353 12.5353 12.5353 12.5353 15.3859 15.3859 15.3859 15.3859 k = 0.1825 0.1054 0.2968 ( 356 PWs) bands (ev): -2.8903 -2.8903 -2.8903 -2.8903 9.7878 9.7878 9.7878 9.7878 12.2749 12.2749 12.2749 12.2749 15.2843 15.2843 15.2843 15.2843 k = 0.1905 0.1100 0.2968 ( 356 PWs) bands (ev): -2.8208 -2.8208 -2.8208 -2.8208 9.8257 9.8257 9.8257 9.8257 12.0218 12.0218 12.0218 12.0218 15.1840 15.1840 15.1840 15.1840 k = 0.1984 0.1146 0.2968 ( 360 PWs) bands (ev): -2.7485 -2.7485 -2.7485 -2.7485 9.8571 9.8571 9.8571 9.8571 11.7767 11.7767 11.7767 11.7767 15.0841 15.0841 15.0841 15.0841 k = 0.2063 0.1191 0.2968 ( 360 PWs) bands (ev): -2.6732 -2.6732 -2.6732 -2.6732 9.8779 9.8779 9.8779 9.8779 11.5471 11.5471 11.5471 11.5471 14.9865 14.9865 14.9865 14.9865 k = 0.2143 0.1237 0.2968 ( 360 PWs) bands (ev): -2.5950 -2.5950 -2.5950 -2.5950 9.8809 9.8809 9.8809 9.8809 11.3387 11.3387 11.3387 11.3387 14.8905 14.8905 14.8905 14.8905 k = 0.2222 0.1283 0.2968 ( 360 PWs) bands (ev): -2.5139 -2.5139 -2.5139 -2.5139 9.8561 9.8561 9.8561 9.8561 11.1618 11.1618 11.1618 11.1618 14.7963 14.7963 14.7963 14.7963 k = 0.2302 0.1329 0.2968 ( 360 PWs) bands (ev): -2.4299 -2.4299 -2.4299 -2.4299 9.7920 9.7920 9.7920 9.7920 11.0278 11.0278 11.0278 11.0278 14.7039 14.7039 14.7039 14.7039 k = 0.2381 0.1375 0.2968 ( 364 PWs) bands (ev): -2.3429 -2.3429 -2.3429 -2.3429 9.6810 9.6810 9.6810 9.6810 10.9430 10.9430 10.9430 10.9430 14.6124 14.6124 14.6124 14.6124 k = 0.2460 0.1420 0.2968 ( 364 PWs) bands (ev): -2.2531 -2.2531 -2.2531 -2.2531 9.5267 9.5267 9.5267 9.5267 10.9071 10.9071 10.9071 10.9071 14.5240 14.5240 14.5240 14.5240 k = 0.2540 0.1466 0.2968 ( 364 PWs) bands (ev): -2.1605 -2.1605 -2.1605 -2.1605 9.3389 9.3389 9.3389 9.3389 10.9086 10.9086 10.9086 10.9086 14.4378 14.4378 14.4378 14.4378 k = 0.2619 0.1512 0.2968 ( 360 PWs) bands (ev): -2.0649 -2.0649 -2.0649 -2.0649 9.1287 9.1287 9.1287 9.1287 10.9368 10.9368 10.9368 10.9368 14.3542 14.3542 14.3542 14.3542 k = 0.2698 0.1558 0.2968 ( 360 PWs) bands (ev): -1.9666 -1.9666 -1.9666 -1.9666 8.9046 8.9046 8.9046 8.9046 10.9828 10.9828 10.9828 10.9828 14.2725 14.2725 14.2725 14.2725 k = 0.2778 0.1604 0.2968 ( 364 PWs) bands (ev): -1.8655 -1.8655 -1.8655 -1.8655 8.6721 8.6721 8.6721 8.6721 11.0410 11.0410 11.0410 11.0410 14.1919 14.1919 14.1919 14.1919 k = 0.2857 0.1650 0.2968 ( 364 PWs) bands (ev): -1.7616 -1.7616 -1.7616 -1.7616 8.4348 8.4348 8.4348 8.4348 11.1082 11.1082 11.1082 11.1082 14.1150 14.1150 14.1150 14.1150 k = 0.2937 0.1695 0.2968 ( 360 PWs) bands (ev): -1.6547 -1.6547 -1.6547 -1.6547 8.1951 8.1951 8.1951 8.1951 11.1822 11.1822 11.1822 11.1822 14.0407 14.0407 14.0407 14.0407 k = 0.3016 0.1741 0.2968 ( 358 PWs) bands (ev): -1.5452 -1.5452 -1.5452 -1.5452 7.9544 7.9544 7.9544 7.9544 11.2609 11.2609 11.2609 11.2609 13.9688 13.9688 13.9688 13.9688 k = 0.3095 0.1787 0.2968 ( 362 PWs) bands (ev): -1.4330 -1.4330 -1.4330 -1.4330 7.7134 7.7134 7.7134 7.7134 11.3432 11.3432 11.3432 11.3432 13.8988 13.8988 13.8988 13.8988 k = 0.3175 0.1833 0.2968 ( 366 PWs) bands (ev): -1.3182 -1.3182 -1.3182 -1.3182 7.4720 7.4720 7.4720 7.4720 11.4287 11.4287 11.4287 11.4287 13.8321 13.8321 13.8321 13.8321 k = 0.3254 0.1879 0.2968 ( 366 PWs) bands (ev): -1.2007 -1.2007 -1.2007 -1.2007 7.2333 7.2333 7.2333 7.2333 11.5170 11.5170 11.5170 11.5170 13.7680 13.7680 13.7680 13.7680 k = 0.3333 0.1925 0.2968 ( 366 PWs) bands (ev): -1.0806 -1.0806 -1.0806 -1.0806 6.9962 6.9962 6.9962 6.9962 11.6072 11.6072 11.6072 11.6072 13.7067 13.7067 13.7067 13.7067 k = 0.3413 0.1970 0.2968 ( 370 PWs) bands (ev): -0.9580 -0.9580 -0.9580 -0.9580 6.7611 6.7611 6.7611 6.7611 11.6986 11.6986 11.6986 11.6986 13.6477 13.6477 13.6477 13.6477 k = 0.3492 0.2016 0.2968 ( 370 PWs) bands (ev): -0.8329 -0.8329 -0.8329 -0.8329 6.5283 6.5283 6.5283 6.5283 11.7912 11.7912 11.7912 11.7912 13.5919 13.5919 13.5919 13.5919 k = 0.3571 0.2062 0.2968 ( 370 PWs) bands (ev): -0.7055 -0.7055 -0.7055 -0.7055 6.2982 6.2982 6.2982 6.2982 11.8845 11.8845 11.8845 11.8845 13.5390 13.5390 13.5390 13.5390 k = 0.3651 0.2108 0.2968 ( 370 PWs) bands (ev): -0.5758 -0.5758 -0.5758 -0.5758 6.0709 6.0709 6.0709 6.0709 11.9779 11.9779 11.9779 11.9779 13.4889 13.4889 13.4889 13.4889 k = 0.3730 0.2154 0.2968 ( 370 PWs) bands (ev): -0.4439 -0.4439 -0.4439 -0.4439 5.8466 5.8466 5.8466 5.8466 12.0709 12.0709 12.0709 12.0709 13.4418 13.4418 13.4418 13.4418 k = 0.3810 0.2199 0.2968 ( 368 PWs) bands (ev): -0.3099 -0.3099 -0.3099 -0.3099 5.6257 5.6257 5.6257 5.6257 12.1633 12.1633 12.1633 12.1633 13.3977 13.3977 13.3977 13.3977 k = 0.3889 0.2245 0.2968 ( 372 PWs) bands (ev): -0.1743 -0.1743 -0.1743 -0.1743 5.4081 5.4081 5.4081 5.4081 12.2541 12.2541 12.2541 12.2541 13.3565 13.3565 13.3565 13.3565 k = 0.3968 0.2291 0.2968 ( 372 PWs) bands (ev): -0.0371 -0.0371 -0.0371 -0.0371 5.1946 5.1946 5.1946 5.1946 12.3429 12.3429 12.3429 12.3429 13.3186 13.3186 13.3186 13.3186 k = 0.4048 0.2337 0.2968 ( 372 PWs) bands (ev): 0.1014 0.1014 0.1014 0.1014 4.9853 4.9853 4.9853 4.9853 12.4290 12.4290 12.4290 12.4290 13.2839 13.2839 13.2839 13.2839 k = 0.4127 0.2383 0.2968 ( 372 PWs) bands (ev): 0.2406 0.2406 0.2406 0.2406 4.7807 4.7807 4.7807 4.7807 12.5117 12.5117 12.5117 12.5117 13.2526 13.2526 13.2526 13.2526 k = 0.4206 0.2429 0.2968 ( 372 PWs) bands (ev): 0.3802 0.3802 0.3802 0.3802 4.5814 4.5814 4.5814 4.5814 12.5901 12.5901 12.5901 12.5901 13.2248 13.2248 13.2248 13.2248 k = 0.4286 0.2474 0.2968 ( 372 PWs) bands (ev): 0.5194 0.5194 0.5194 0.5194 4.3880 4.3880 4.3880 4.3880 12.6632 12.6632 12.6632 12.6632 13.2010 13.2010 13.2010 13.2010 k = 0.4365 0.2520 0.2968 ( 372 PWs) bands (ev): 0.6572 0.6572 0.6572 0.6572 4.2017 4.2017 4.2017 4.2017 12.7298 12.7298 12.7298 12.7298 13.1813 13.1813 13.1813 13.1813 k = 0.4444 0.2566 0.2968 ( 374 PWs) bands (ev): 0.7924 0.7924 0.7924 0.7924 4.0237 4.0237 4.0237 4.0237 12.7887 12.7887 12.7887 12.7887 13.1664 13.1664 13.1664 13.1664 k = 0.4524 0.2612 0.2968 ( 374 PWs) bands (ev): 0.9231 0.9231 0.9231 0.9231 3.8558 3.8558 3.8558 3.8558 12.8387 12.8387 12.8387 12.8387 13.1567 13.1567 13.1567 13.1567 k = 0.4603 0.2658 0.2968 ( 374 PWs) bands (ev): 1.0468 1.0468 1.0468 1.0468 3.7006 3.7006 3.7006 3.7006 12.8785 12.8785 12.8785 12.8785 13.1527 13.1527 13.1527 13.1527 k = 0.4683 0.2703 0.2968 ( 378 PWs) bands (ev): 1.1601 1.1601 1.1601 1.1601 3.5615 3.5615 3.5615 3.5615 12.9076 12.9076 12.9076 12.9076 13.1537 13.1537 13.1537 13.1537 k = 0.4762 0.2749 0.2968 ( 376 PWs) bands (ev): 1.2583 1.2583 1.2583 1.2583 3.4433 3.4433 3.4433 3.4433 12.9272 12.9272 12.9272 12.9272 13.1588 13.1588 13.1588 13.1588 k = 0.4841 0.2795 0.2968 ( 376 PWs) bands (ev): 1.3355 1.3355 1.3355 1.3355 3.3517 3.3517 3.3517 3.3517 12.9388 12.9388 12.9388 12.9388 13.1651 13.1651 13.1651 13.1651 k = 0.4921 0.2841 0.2968 ( 380 PWs) bands (ev): 1.3852 1.3852 1.3852 1.3852 3.2932 3.2932 3.2932 3.2932 12.9447 12.9447 12.9447 12.9447 13.1700 13.1700 13.1700 13.1700 k = 0.5000 0.2887 0.2968 ( 380 PWs) bands (ev): 1.4025 1.4025 1.4025 1.4025 3.2730 3.2730 3.2730 3.2730 12.9465 12.9465 12.9465 12.9465 13.1719 13.1719 13.1719 13.1719 k = 0.5000 0.2887 0.2968 ( 380 PWs) bands (ev): 1.4025 1.4025 1.4025 1.4025 3.2730 3.2730 3.2730 3.2730 12.9465 12.9465 12.9465 12.9465 13.1719 13.1719 13.1719 13.1719 k = 0.4954 0.2967 0.2968 ( 380 PWs) bands (ev): 1.4038 1.4038 1.4040 1.4040 3.2745 3.2745 3.2745 3.2745 12.8578 12.8578 12.9227 12.9227 13.1742 13.1742 13.2436 13.2436 k = 0.4907 0.3047 0.2968 ( 380 PWs) bands (ev): 1.4078 1.4078 1.4082 1.4082 3.2790 3.2790 3.2790 3.2790 12.7242 12.7242 12.8014 12.8014 13.2368 13.2368 13.3226 13.3226 k = 0.4861 0.3127 0.2968 ( 380 PWs) bands (ev): 1.4145 1.4145 1.4152 1.4152 3.2866 3.2866 3.2866 3.2866 12.5655 12.5655 12.6423 12.6423 13.3031 13.3031 13.3921 13.3921 k = 0.4815 0.3208 0.2968 ( 376 PWs) bands (ev): 1.4240 1.4240 1.4249 1.4249 3.2972 3.2972 3.2973 3.2973 12.3869 12.3869 12.4605 12.4605 13.3625 13.3625 13.4512 13.4512 k = 0.4769 0.3288 0.2968 ( 376 PWs) bands (ev): 1.4362 1.4362 1.4373 1.4373 3.3108 3.3108 3.3109 3.3109 12.1916 12.1916 12.2612 12.2612 13.4146 13.4146 13.5015 13.5015 k = 0.4722 0.3368 0.2968 ( 372 PWs) bands (ev): 1.4514 1.4514 1.4528 1.4528 3.3275 3.3275 3.3276 3.3276 11.9826 11.9826 12.0481 12.0481 13.4607 13.4607 13.5451 13.5451 k = 0.4676 0.3448 0.2968 ( 372 PWs) bands (ev): 1.4691 1.4691 1.4707 1.4707 3.3471 3.3471 3.3473 3.3473 11.7619 11.7619 11.8235 11.8235 13.5023 13.5023 13.5840 13.5840 k = 0.4630 0.3528 0.2968 ( 372 PWs) bands (ev): 1.4894 1.4894 1.4912 1.4912 3.3697 3.3697 3.3701 3.3701 11.5321 11.5321 11.5902 11.5902 13.5408 13.5408 13.6198 13.6198 k = 0.4583 0.3608 0.2968 ( 368 PWs) bands (ev): 1.5124 1.5124 1.5145 1.5145 3.3953 3.3953 3.3958 3.3958 11.2952 11.2952 11.3502 11.3502 13.5779 13.5779 13.6543 13.6543 k = 0.4537 0.3689 0.2968 ( 368 PWs) bands (ev): 1.5381 1.5381 1.5403 1.5403 3.4238 3.4238 3.4246 3.4246 11.0528 11.0528 11.1050 11.1050 13.6131 13.6131 13.6871 13.6871 k = 0.4491 0.3769 0.2968 ( 368 PWs) bands (ev): 1.5664 1.5664 1.5688 1.5688 3.4553 3.4553 3.4563 3.4563 10.8063 10.8063 10.8562 10.8562 13.6478 13.6478 13.7196 13.7196 k = 0.4444 0.3849 0.2968 ( 364 PWs) bands (ev): 1.5973 1.5973 1.5999 1.5999 3.4898 3.4898 3.4910 3.4910 10.5571 10.5571 10.6050 10.6050 13.6825 13.6825 13.7524 13.7524 k = 0.4398 0.3929 0.2968 ( 364 PWs) bands (ev): 1.6308 1.6308 1.6335 1.6335 3.5271 3.5271 3.5287 3.5287 10.3060 10.3060 10.3523 10.3523 13.7173 13.7173 13.7856 13.7856 k = 0.4352 0.4009 0.2968 ( 364 PWs) bands (ev): 1.6668 1.6668 1.6697 1.6697 3.5673 3.5673 3.5693 3.5693 10.0540 10.0540 10.0990 10.0990 13.7525 13.7525 13.8195 13.8195 k = 0.4306 0.4090 0.2968 ( 364 PWs) bands (ev): 1.7053 1.7053 1.7083 1.7083 3.6103 3.6103 3.6128 3.6128 9.8019 9.8019 9.8458 9.8458 13.7884 13.7884 13.8542 13.8542 k = 0.4259 0.4170 0.2968 ( 366 PWs) bands (ev): 1.7462 1.7462 1.7494 1.7494 3.6563 3.6563 3.6594 3.6594 9.5477 9.5477 9.5908 9.5908 13.8247 13.8247 13.8895 13.8895 k = 0.4213 0.4250 0.2968 ( 366 PWs) bands (ev): 1.7895 1.7895 1.7927 1.7927 3.7048 3.7048 3.7086 3.7086 9.2970 9.2970 9.3397 9.3397 13.8620 13.8620 13.9260 13.9260 k = 0.4167 0.4330 0.2968 ( 366 PWs) bands (ev): 1.8351 1.8351 1.8384 1.8384 3.7560 3.7560 3.7607 3.7607 9.0480 9.0480 9.0904 9.0904 13.9001 13.9001 13.9635 13.9635 k = 0.4120 0.4410 0.2968 ( 366 PWs) bands (ev): 1.8828 1.8828 1.8862 1.8862 3.8098 3.8098 3.8155 3.8155 8.8009 8.8009 8.8433 8.8433 13.9388 13.9388 14.0018 14.0018 k = 0.4074 0.4491 0.2968 ( 362 PWs) bands (ev): 1.9328 1.9328 1.9362 1.9362 3.8664 3.8664 3.8733 3.8733 8.5563 8.5563 8.5991 8.5991 13.9783 13.9783 14.0411 14.0411 k = 0.4028 0.4571 0.2968 ( 362 PWs) bands (ev): 1.9846 1.9846 1.9880 1.9880 3.9251 3.9251 3.9334 3.9334 8.3146 8.3146 8.3580 8.3580 14.0180 14.0180 14.0807 14.0807 k = 0.3981 0.4651 0.2968 ( 362 PWs) bands (ev): 2.0381 2.0381 2.0415 2.0415 3.9861 3.9861 3.9960 3.9960 8.0764 8.0764 8.1206 8.1206 14.0579 14.0579 14.1206 14.1206 k = 0.3935 0.4731 0.2968 ( 366 PWs) bands (ev): 2.0933 2.0933 2.0966 2.0966 4.0491 4.0491 4.0609 4.0609 7.8419 7.8419 7.8874 7.8874 14.0979 14.0979 14.1607 14.1607 k = 0.3889 0.4811 0.2968 ( 366 PWs) bands (ev): 2.1498 2.1498 2.1530 2.1530 4.1139 4.1139 4.1281 4.1281 7.6119 7.6119 7.6592 7.6592 14.1377 14.1377 14.2007 14.2007 k = 0.3843 0.4891 0.2968 ( 366 PWs) bands (ev): 2.2074 2.2074 2.2105 2.2105 4.1803 4.1803 4.1973 4.1973 7.3871 7.3871 7.4365 7.4365 14.1771 14.1771 14.2404 14.2404 k = 0.3796 0.4972 0.2968 ( 370 PWs) bands (ev): 2.2657 2.2657 2.2686 2.2686 4.2477 4.2477 4.2681 4.2681 7.1663 7.1663 7.2185 7.2185 14.2153 14.2153 14.2790 14.2790 k = 0.3750 0.5052 0.2968 ( 370 PWs) bands (ev): 2.3242 2.3242 2.3269 2.3269 4.3158 4.3158 4.3403 4.3403 6.9542 6.9542 7.0099 7.0099 14.2527 14.2527 14.3168 14.3168 k = 0.3704 0.5132 0.2968 ( 370 PWs) bands (ev): 2.3825 2.3825 2.3849 2.3849 4.3836 4.3836 4.4131 4.4131 6.7501 6.7501 6.8102 6.8102 14.2886 14.2886 14.3531 14.3531 k = 0.3657 0.5212 0.2968 ( 370 PWs) bands (ev): 2.4396 2.4396 2.4418 2.4418 4.4503 4.4503 4.4859 4.4859 6.5557 6.5557 6.6213 6.6213 14.3224 14.3224 14.3875 14.3875 k = 0.3611 0.5292 0.2968 ( 366 PWs) bands (ev): 2.4949 2.4949 2.4967 2.4967 4.5145 4.5145 4.5574 4.5574 6.3731 6.3731 6.4455 6.4455 14.3540 14.3540 14.4196 14.4196 k = 0.3565 0.5373 0.2968 ( 366 PWs) bands (ev): 2.5471 2.5471 2.5485 2.5485 4.5741 4.5741 4.6259 4.6259 6.2052 6.2052 6.2859 6.2859 14.3822 14.3822 14.4483 14.4483 k = 0.3519 0.5453 0.2968 ( 362 PWs) bands (ev): 2.5946 2.5946 2.5956 2.5956 4.6268 4.6268 4.6888 4.6888 6.0561 6.0561 6.1465 6.1465 14.4067 14.4067 14.4733 14.4733 k = 0.3472 0.5533 0.2968 ( 362 PWs) bands (ev): 2.6358 2.6358 2.6365 2.6365 4.6695 4.6695 4.7426 4.7426 5.9309 5.9309 6.0319 6.0319 14.4269 14.4269 14.4939 14.4939 k = 0.3426 0.5613 0.2968 ( 362 PWs) bands (ev): 2.6685 2.6685 2.6688 2.6688 4.6997 4.6997 4.7833 4.7833 5.8361 5.8361 5.9472 5.9472 14.4422 14.4422 14.5094 14.5094 k = 0.3380 0.5693 0.2968 ( 360 PWs) bands (ev): 2.6902 2.6902 2.6903 2.6903 4.7160 4.7160 4.8071 4.8071 5.7779 5.7779 5.8963 5.8963 14.4518 14.4518 14.5193 14.5193 k = 0.3333 0.5774 0.2968 ( 360 PWs) bands (ev): 2.6980 2.6980 2.6980 2.6980 4.7204 4.7204 4.8142 4.8142 5.7588 5.7588 5.8796 5.8796 14.4552 14.4552 14.5227 14.5227 k = 0.3333 0.5774 0.2968 ( 360 PWs) bands (ev): 2.6980 2.6980 2.6980 2.6980 4.7204 4.7204 4.8142 4.8142 5.7588 5.7588 5.8796 5.8796 14.4552 14.4552 14.5227 14.5227 k = 0.3287 0.5693 0.2968 ( 360 PWs) bands (ev): 2.6894 2.6894 2.6895 2.6895 4.7183 4.7183 4.8097 4.8097 5.7762 5.7762 5.8948 5.8948 14.4516 14.4516 14.5191 14.5191 k = 0.3241 0.5613 0.2968 ( 360 PWs) bands (ev): 2.6621 2.6621 2.6625 2.6625 4.7167 4.7167 4.8027 4.8027 5.8234 5.8234 5.9368 5.9368 14.4407 14.4407 14.5079 14.5079 k = 0.3194 0.5533 0.2968 ( 362 PWs) bands (ev): 2.6150 2.6150 2.6158 2.6158 4.7227 4.7227 4.8017 4.8017 5.8928 5.8928 5.9999 5.9999 14.4218 14.4218 14.4886 14.4886 k = 0.3148 0.5453 0.2968 ( 366 PWs) bands (ev): 2.5481 2.5481 2.5494 2.5494 4.7408 4.7408 4.8129 4.8129 5.9782 5.9782 6.0790 6.0790 14.3946 14.3946 14.4607 14.4607 k = 0.3102 0.5373 0.2968 ( 366 PWs) bands (ev): 2.4629 2.4629 2.4647 2.4647 4.7735 4.7735 4.8394 4.8394 6.0758 6.0758 6.1710 6.1710 14.3591 14.3591 14.4244 14.4244 k = 0.3056 0.5292 0.2968 ( 370 PWs) bands (ev): 2.3614 2.3614 2.3636 2.3636 4.8212 4.8212 4.8816 4.8816 6.1826 6.1826 6.2729 6.2729 14.3147 14.3147 14.3789 14.3789 k = 0.3009 0.5212 0.2968 ( 370 PWs) bands (ev): 2.2464 2.2464 2.2490 2.2490 4.8834 4.8834 4.9393 4.9393 6.2965 6.2965 6.3828 6.3828 14.2623 14.2623 14.3254 14.3254 k = 0.2963 0.5132 0.2968 ( 370 PWs) bands (ev): 2.1204 2.1204 2.1233 2.1233 4.9587 4.9587 5.0107 5.0107 6.4165 6.4165 6.4994 6.4994 14.2020 14.2020 14.2637 14.2637 k = 0.2917 0.5052 0.2968 ( 370 PWs) bands (ev): 1.9860 1.9860 1.9890 1.9890 5.0454 5.0454 5.0942 5.0942 6.5416 6.5416 6.6217 6.6217 14.1339 14.1339 14.1942 14.1942 k = 0.2870 0.4972 0.2968 ( 370 PWs) bands (ev): 1.8451 1.8451 1.8482 1.8482 5.1423 5.1423 5.1885 5.1885 6.6712 6.6712 6.7491 6.7491 14.0588 14.0588 14.1177 14.1177 k = 0.2824 0.4891 0.2968 ( 370 PWs) bands (ev): 1.6995 1.6995 1.7025 1.7025 5.2479 5.2479 5.2920 5.2920 6.8050 6.8050 6.8810 6.8810 13.9769 13.9769 14.0342 14.0342 k = 0.2778 0.4811 0.2968 ( 370 PWs) bands (ev): 1.5507 1.5507 1.5537 1.5537 5.3614 5.3614 5.4037 5.4037 6.9424 6.9424 7.0170 7.0170 13.8895 13.8895 13.9454 13.9454 k = 0.2731 0.4731 0.2968 ( 370 PWs) bands (ev): 1.3998 1.3998 1.4026 1.4026 5.4819 5.4819 5.5228 5.5228 7.0834 7.0834 7.1569 7.1569 13.7971 13.7971 13.8515 13.8515 k = 0.2685 0.4651 0.2968 ( 370 PWs) bands (ev): 1.2476 1.2476 1.2504 1.2504 5.6086 5.6086 5.6483 5.6483 7.2276 7.2276 7.3003 7.3003 13.7002 13.7002 13.7533 13.7533 k = 0.2639 0.4571 0.2968 ( 370 PWs) bands (ev): 1.0950 1.0950 1.0976 1.0976 5.7410 5.7410 5.7796 5.7796 7.3750 7.3750 7.4470 7.4470 13.5998 13.5998 13.6516 13.6516 k = 0.2593 0.4491 0.2968 ( 370 PWs) bands (ev): 0.9424 0.9424 0.9448 0.9448 5.8785 5.8785 5.9164 5.9164 7.5253 7.5253 7.5969 7.5969 13.4963 13.4963 13.5470 13.5470 k = 0.2546 0.4410 0.2968 ( 366 PWs) bands (ev): 0.7904 0.7904 0.7927 0.7927 6.0214 6.0214 6.0585 6.0585 7.6799 7.6799 7.7514 7.7514 13.3909 13.3909 13.4406 13.4406 k = 0.2500 0.4330 0.2968 ( 366 PWs) bands (ev): 0.6393 0.6393 0.6414 0.6414 6.1682 6.1682 6.2049 6.2049 7.8357 7.8357 7.9072 7.9072 13.2835 13.2835 13.3323 13.3323 k = 0.2454 0.4250 0.2968 ( 370 PWs) bands (ev): 0.4892 0.4892 0.4912 0.4912 6.3192 6.3192 6.3555 6.3555 7.9935 7.9935 8.0653 8.0653 13.1748 13.1748 13.2228 13.2228 k = 0.2407 0.4170 0.2968 ( 370 PWs) bands (ev): 0.3409 0.3409 0.3428 0.3428 6.4743 6.4743 6.5102 6.5102 8.1541 8.1541 8.2263 8.2263 13.0657 13.0657 13.1132 13.1132 k = 0.2361 0.4090 0.2968 ( 370 PWs) bands (ev): 0.1943 0.1943 0.1960 0.1960 6.6331 6.6331 6.6688 6.6688 8.3169 8.3169 8.3897 8.3897 12.9567 12.9567 13.0038 13.0038 k = 0.2315 0.4009 0.2968 ( 370 PWs) bands (ev): 0.0496 0.0496 0.0512 0.0512 6.7955 6.7955 6.8310 6.8310 8.4817 8.4817 8.5553 8.5553 12.8483 12.8483 12.8952 12.8952 k = 0.2269 0.3929 0.2968 ( 370 PWs) bands (ev): -0.0930 -0.0930 -0.0915 -0.0915 6.9613 6.9613 6.9967 6.9967 8.6482 8.6482 8.7229 8.7229 12.7411 12.7411 12.7879 12.7879 k = 0.2222 0.3849 0.2968 ( 370 PWs) bands (ev): -0.2335 -0.2335 -0.2321 -0.2321 7.1303 7.1303 7.1657 7.1657 8.8162 8.8162 8.8922 8.8922 12.6355 12.6355 12.6825 12.6825 k = 0.2176 0.3769 0.2968 ( 370 PWs) bands (ev): -0.3716 -0.3716 -0.3704 -0.3704 7.3024 7.3024 7.3379 7.3379 8.9853 8.9853 9.0629 9.0629 12.5321 12.5321 12.5797 12.5797 k = 0.2130 0.3689 0.2968 ( 370 PWs) bands (ev): -0.5074 -0.5074 -0.5063 -0.5063 7.4774 7.4774 7.5130 7.5130 9.1551 9.1551 9.2345 9.2345 12.4318 12.4318 12.4801 12.4801 k = 0.2083 0.3608 0.2968 ( 370 PWs) bands (ev): -0.6408 -0.6408 -0.6397 -0.6397 7.6552 7.6552 7.6909 7.6909 9.3250 9.3250 9.4066 9.4066 12.3353 12.3353 12.3846 12.3846 k = 0.2037 0.3528 0.2968 ( 366 PWs) bands (ev): -0.7716 -0.7716 -0.7706 -0.7706 7.8356 7.8356 7.8715 7.8715 9.4958 9.4958 9.5799 9.5799 12.2441 12.2441 12.2948 12.2948 k = 0.1991 0.3448 0.2968 ( 366 PWs) bands (ev): -0.8998 -0.8998 -0.8989 -0.8989 8.0180 8.0180 8.0542 8.0542 9.6636 9.6636 9.7506 9.7506 12.1584 12.1584 12.2108 12.2108 k = 0.1944 0.3368 0.2968 ( 370 PWs) bands (ev): -1.0255 -1.0255 -1.0246 -1.0246 8.2022 8.2022 8.2388 8.2388 9.8281 9.8281 9.9184 9.9184 12.0802 12.0802 12.1347 12.1347 k = 0.1898 0.3288 0.2968 ( 368 PWs) bands (ev): -1.1484 -1.1484 -1.1476 -1.1476 8.3880 8.3880 8.4250 8.4250 9.9885 9.9885 10.0823 10.0823 12.0121 12.0121 12.0689 12.0689 k = 0.1852 0.3208 0.2968 ( 368 PWs) bands (ev): -1.2687 -1.2687 -1.2680 -1.2680 8.5749 8.5749 8.6123 8.6123 10.1429 10.1429 10.2403 10.2403 11.9578 11.9578 12.0169 12.0169 k = 0.1806 0.3127 0.2968 ( 364 PWs) bands (ev): -1.3861 -1.3861 -1.3855 -1.3855 8.7621 8.7621 8.8000 8.8000 10.2869 10.2869 10.3874 10.3874 11.9209 11.9209 11.9819 11.9819 k = 0.1759 0.3047 0.2968 ( 364 PWs) bands (ev): -1.5008 -1.5008 -1.5002 -1.5002 8.9480 8.9480 8.9864 8.9864 10.4165 10.4165 10.5189 10.5189 11.9061 11.9061 11.9678 11.9678 k = 0.1713 0.2967 0.2968 ( 364 PWs) bands (ev): -1.6126 -1.6126 -1.6121 -1.6121 9.1314 9.1314 9.1702 9.1702 10.5294 10.5294 10.6312 10.6312 11.9201 11.9201 11.9800 11.9800 k = 0.1667 0.2887 0.2968 ( 364 PWs) bands (ev): -1.7216 -1.7216 -1.7211 -1.7211 9.3100 9.3100 9.3489 9.3489 10.6240 10.6240 10.7218 10.7218 11.9673 11.9673 12.0224 12.0224 k = 0.1620 0.2807 0.2968 ( 364 PWs) bands (ev): -1.8278 -1.8278 -1.8274 -1.8274 9.4803 9.4803 9.5187 9.5187 10.7028 10.7028 10.7929 10.7929 12.0491 12.0491 12.0964 12.0964 k = 0.1574 0.2726 0.2968 ( 360 PWs) bands (ev): -1.9311 -1.9311 -1.9307 -1.9307 9.6373 9.6373 9.6741 9.6741 10.7735 10.7735 10.8530 10.8530 12.1640 12.1640 12.2016 12.2016 k = 0.1528 0.2646 0.2968 ( 360 PWs) bands (ev): -2.0314 -2.0314 -2.0311 -2.0311 9.7737 9.7737 9.8072 9.8072 10.8472 10.8472 10.9141 10.9141 12.3030 12.3030 12.3305 12.3305 k = 0.1481 0.2566 0.2968 ( 360 PWs) bands (ev): -2.1289 -2.1289 -2.1286 -2.1286 9.8819 9.8819 9.9100 9.9100 10.9373 10.9373 10.9902 10.9902 12.4613 12.4613 12.4796 12.4796 k = 0.1435 0.2486 0.2968 ( 360 PWs) bands (ev): -2.2235 -2.2235 -2.2232 -2.2232 9.9564 9.9564 9.9777 9.9777 11.0533 11.0533 11.0920 11.0920 12.6338 12.6338 12.6441 12.6441 k = 0.1389 0.2406 0.2968 ( 364 PWs) bands (ev): -2.3152 -2.3152 -2.3149 -2.3149 9.9966 9.9966 10.0113 10.0113 11.1962 11.1962 11.2219 11.2219 12.8162 12.8162 12.8194 12.8194 k = 0.1343 0.2325 0.2968 ( 360 PWs) bands (ev): -2.4039 -2.4039 -2.4036 -2.4036 10.0086 10.0086 10.0180 10.0180 11.3658 11.3658 11.3810 11.3810 13.0047 13.0047 13.0072 13.0072 k = 0.1296 0.2245 0.2968 ( 364 PWs) bands (ev): -2.4898 -2.4898 -2.4896 -2.4896 9.9991 9.9991 10.0047 10.0047 11.5528 11.5528 11.5599 11.5599 13.1953 13.1953 13.2028 13.2028 k = 0.1250 0.2165 0.2968 ( 364 PWs) bands (ev): -2.5726 -2.5726 -2.5724 -2.5724 9.9751 9.9751 9.9783 9.9783 11.7538 11.7538 11.7549 11.7549 13.3907 13.3907 13.4023 13.4023 k = 0.1204 0.2085 0.2968 ( 364 PWs) bands (ev): -2.6524 -2.6524 -2.6522 -2.6522 9.9415 9.9415 9.9430 9.9430 11.9614 11.9614 11.9648 11.9648 13.5894 13.5894 13.6045 13.6045 k = 0.1157 0.2005 0.2968 ( 364 PWs) bands (ev): -2.7293 -2.7293 -2.7291 -2.7291 9.9016 9.9016 9.9022 9.9022 12.1765 12.1765 12.1833 12.1833 13.7902 13.7902 13.8083 13.8083 k = 0.1111 0.1925 0.2968 ( 364 PWs) bands (ev): -2.8031 -2.8031 -2.8030 -2.8030 9.8580 9.8580 9.8581 9.8581 12.3981 12.3981 12.4076 12.4076 13.9922 13.9922 14.0128 14.0128 k = 0.1065 0.1844 0.2968 ( 364 PWs) bands (ev): -2.8740 -2.8740 -2.8739 -2.8739 9.8120 9.8120 9.8122 9.8122 12.6248 12.6248 12.6363 12.6363 14.1946 14.1946 14.2174 14.2174 k = 0.1019 0.1764 0.2968 ( 360 PWs) bands (ev): -2.9419 -2.9419 -2.9418 -2.9418 9.7653 9.7653 9.7658 9.7658 12.8556 12.8556 12.8687 12.8687 14.3982 14.3982 14.4228 14.4228 k = 0.0972 0.1684 0.2968 ( 356 PWs) bands (ev): -3.0068 -3.0068 -3.0067 -3.0067 9.7185 9.7185 9.7190 9.7190 13.0898 13.0898 13.1042 13.1042 14.5999 14.5999 14.6259 14.6259 k = 0.0926 0.1604 0.2968 ( 354 PWs) bands (ev): -3.0687 -3.0687 -3.0686 -3.0686 9.6722 9.6722 9.6727 9.6727 13.3270 13.3270 13.3424 13.3424 14.7984 14.7984 14.8257 14.8257 k = 0.0880 0.1524 0.2968 ( 354 PWs) bands (ev): -3.1276 -3.1276 -3.1276 -3.1276 9.6269 9.6269 9.6274 9.6274 13.5650 13.5650 13.5812 13.5812 14.9940 14.9940 15.0223 15.0223 k = 0.0833 0.1443 0.2968 ( 350 PWs) bands (ev): -3.1835 -3.1835 -3.1834 -3.1834 9.5829 9.5829 9.5833 9.5833 13.8049 13.8049 13.8217 13.8217 15.1874 15.1874 15.2164 15.2164 k = 0.0787 0.1363 0.2968 ( 350 PWs) bands (ev): -3.2364 -3.2364 -3.2363 -3.2363 9.5404 9.5404 9.5408 9.5408 14.0446 14.0446 14.0619 14.0619 15.3744 15.3744 15.4040 15.4040 k = 0.0741 0.1283 0.2968 ( 352 PWs) bands (ev): -3.2863 -3.2863 -3.2862 -3.2862 9.4990 9.4990 9.4993 9.4993 14.2839 14.2839 14.3016 14.3016 15.5557 15.5557 15.5856 15.5856 k = 0.0694 0.1203 0.2968 ( 352 PWs) bands (ev): -3.3331 -3.3331 -3.3331 -3.3331 9.4603 9.4603 9.4606 9.4606 14.5228 14.5228 14.5408 14.5408 15.7306 15.7306 15.7605 15.7605 k = 0.0648 0.1123 0.2968 ( 352 PWs) bands (ev): -3.3770 -3.3770 -3.3769 -3.3769 9.4236 9.4236 9.4238 9.4238 14.7601 14.7601 14.7782 14.7782 15.8981 15.8981 15.9277 15.9277 k = 0.0602 0.1042 0.2968 ( 352 PWs) bands (ev): -3.4178 -3.4178 -3.4178 -3.4178 9.3891 9.3891 9.3893 9.3893 14.9950 14.9950 15.0130 15.0130 16.0574 16.0574 16.0863 16.0863 k = 0.0556 0.0962 0.2968 ( 352 PWs) bands (ev): -3.4556 -3.4556 -3.4556 -3.4556 9.3570 9.3570 9.3571 9.3571 15.2262 15.2262 15.2440 15.2440 16.2075 16.2075 16.2354 16.2354 k = 0.0509 0.0882 0.2968 ( 352 PWs) bands (ev): -3.4904 -3.4904 -3.4904 -3.4904 9.3272 9.3272 9.3273 9.3273 15.4525 15.4525 15.4699 15.4699 16.3479 16.3479 16.3744 16.3744 k = 0.0463 0.0802 0.2968 ( 350 PWs) bands (ev): -3.5222 -3.5222 -3.5222 -3.5222 9.2999 9.2999 9.3000 9.3000 15.6728 15.6728 15.6897 15.6897 16.4781 16.4781 16.5029 16.5029 k = 0.0417 0.0722 0.2968 ( 350 PWs) bands (ev): -3.5509 -3.5509 -3.5509 -3.5509 9.2750 9.2750 9.2750 9.2750 15.8839 15.8839 15.8999 15.8999 16.5978 16.5978 16.6205 16.6205 k = 0.0370 0.0642 0.2968 ( 350 PWs) bands (ev): -3.5766 -3.5766 -3.5766 -3.5766 9.2526 9.2526 9.2526 9.2526 16.0839 16.0839 16.0987 16.0987 16.7072 16.7072 16.7274 16.7274 k = 0.0324 0.0561 0.2968 ( 350 PWs) bands (ev): -3.5993 -3.5993 -3.5993 -3.5993 9.2328 9.2328 9.2328 9.2328 16.2698 16.2698 16.2828 16.2828 16.8068 16.8068 16.8240 16.8240 k = 0.0278 0.0481 0.2968 ( 350 PWs) bands (ev): -3.6190 -3.6190 -3.6190 -3.6190 9.2155 9.2155 9.2155 9.2155 16.4378 16.4378 16.4486 16.4486 16.8975 16.8975 16.9112 16.9112 k = 0.0231 0.0401 0.2968 ( 350 PWs) bands (ev): -3.6357 -3.6357 -3.6357 -3.6357 9.2009 9.2009 9.2009 9.2009 16.5836 16.5836 16.5917 16.5917 16.9802 16.9802 16.9902 16.9902 k = 0.0185 0.0321 0.2968 ( 350 PWs) bands (ev): -3.6493 -3.6493 -3.6493 -3.6493 9.1889 9.1889 9.1889 9.1889 16.7031 16.7031 16.7082 16.7082 17.0554 17.0554 17.0616 17.0616 k = 0.0139 0.0241 0.2968 ( 350 PWs) bands (ev): -3.6599 -3.6599 -3.6599 -3.6599 9.1795 9.1795 9.1795 9.1795 16.7937 16.7937 16.7961 16.7961 17.1216 17.1216 17.1246 17.1246 k = 0.0093 0.0160 0.2968 ( 350 PWs) bands (ev): -3.6675 -3.6675 -3.6675 -3.6675 9.1729 9.1729 9.1729 9.1729 16.8554 16.8554 16.8562 16.8562 17.1747 17.1747 17.1756 17.1756 k = 0.0046 0.0080 0.2968 ( 350 PWs) bands (ev): -3.6720 -3.6720 -3.6720 -3.6720 9.1688 9.1688 9.1688 9.1688 16.8906 16.8906 16.8907 16.8907 17.2092 17.2092 17.2093 17.2093 k = 0.0000 0.0000 0.2968 ( 350 PWs) bands (ev): -3.6735 -3.6735 -3.6735 -3.6735 9.1675 9.1675 9.1675 9.1675 16.9020 16.9020 16.9020 16.9020 17.2212 17.2212 17.2212 17.2212 k = 0.5000 0.2887 0.2968 ( 380 PWs) bands (ev): 1.4025 1.4025 1.4025 1.4025 3.2730 3.2730 3.2730 3.2730 12.9465 12.9465 12.9465 12.9465 13.1719 13.1719 13.1719 13.1719 k = 0.5000 0.2887 0.2878 ( 380 PWs) bands (ev): 1.3370 1.3370 1.4658 1.4658 3.2126 3.2126 3.3407 3.3407 12.8448 12.8448 13.0091 13.0091 13.0994 13.0994 13.2646 13.2646 k = 0.5000 0.2887 0.2788 ( 378 PWs) bands (ev): 1.2702 1.2702 1.5259 1.5259 3.1608 3.1608 3.4150 3.4150 12.7251 12.7251 12.9429 12.9429 13.1458 13.1458 13.3479 13.3479 k = 0.5000 0.2887 0.2699 ( 378 PWs) bands (ev): 1.2030 1.2030 1.5813 1.5813 3.1189 3.1189 3.4950 3.4950 12.5864 12.5864 12.8489 12.8489 13.2122 13.2122 13.4199 13.4199 k = 0.5000 0.2887 0.2609 ( 376 PWs) bands (ev): 1.1363 1.1363 1.6308 1.6308 3.0883 3.0883 3.5801 3.5801 12.4299 12.4299 12.7591 12.7591 13.2591 13.2591 13.4867 13.4867 k = 0.5000 0.2887 0.2519 ( 376 PWs) bands (ev): 1.0697 1.0697 1.6725 1.6725 3.0707 3.0707 3.6697 3.6697 12.2596 12.2596 12.6750 12.6750 13.2732 13.2732 13.5584 13.5584 k = 0.5000 0.2887 0.2429 ( 372 PWs) bands (ev): 1.0041 1.0041 1.7053 1.7053 3.0674 3.0674 3.7635 3.7635 12.0787 12.0787 12.5959 12.5959 13.2500 13.2500 13.6400 13.6400 k = 0.5000 0.2887 0.2339 ( 372 PWs) bands (ev): 0.9397 0.9397 1.7281 1.7281 3.0792 3.0792 3.8610 3.8610 11.8899 11.8899 12.5205 12.5205 13.1920 13.1920 13.7280 13.7280 k = 0.5000 0.2887 0.2249 ( 372 PWs) bands (ev): 0.8769 0.8769 1.7409 1.7409 3.1065 3.1065 3.9620 3.9620 11.6950 11.6950 12.4486 12.4486 13.1047 13.1047 13.8209 13.8209 k = 0.5000 0.2887 0.2159 ( 374 PWs) bands (ev): 0.8157 0.8157 1.7438 1.7438 3.1487 3.1487 4.0662 4.0662 11.4953 11.4953 12.3796 12.3796 12.9933 12.9933 13.9171 13.9171 k = 0.5000 0.2887 0.2069 ( 374 PWs) bands (ev): 0.7564 0.7564 1.7381 1.7381 3.2049 3.2049 4.1733 4.1733 11.2928 11.2928 12.3136 12.3136 12.8625 12.8625 14.0155 14.0155 k = 0.5000 0.2887 0.1979 ( 370 PWs) bands (ev): 0.6991 0.6991 1.7250 1.7250 3.2736 3.2736 4.2832 4.2832 11.0880 11.0880 12.2502 12.2502 12.7164 12.7164 14.1158 14.1158 k = 0.5000 0.2887 0.1889 ( 370 PWs) bands (ev): 0.6440 0.6440 1.7061 1.7061 3.3532 3.3532 4.3955 4.3955 10.8818 10.8818 12.1891 12.1891 12.5589 12.5589 14.2168 14.2168 k = 0.5000 0.2887 0.1799 ( 370 PWs) bands (ev): 0.5910 0.5910 1.6828 1.6828 3.4423 3.4423 4.5100 4.5100 10.6749 10.6749 12.1296 12.1296 12.3935 12.3935 14.3185 14.3185 k = 0.5000 0.2887 0.1709 ( 370 PWs) bands (ev): 0.5403 0.5403 1.6565 1.6565 3.5394 3.5394 4.6266 4.6266 10.4678 10.4678 12.0689 12.0689 12.2257 12.2257 14.4205 14.4205 k = 0.5000 0.2887 0.1619 ( 370 PWs) bands (ev): 0.4920 0.4920 1.6282 1.6282 3.6435 3.6435 4.7449 4.7449 10.2610 10.2610 11.9873 11.9873 12.0772 12.0772 14.5224 14.5224 k = 0.5000 0.2887 0.1529 ( 370 PWs) bands (ev): 0.4461 0.4461 1.5989 1.5989 3.7534 3.7534 4.8647 4.8647 10.0550 10.0550 11.8379 11.8379 11.9964 11.9964 14.6238 14.6238 k = 0.5000 0.2887 0.1439 ( 366 PWs) bands (ev): 0.4026 0.4026 1.5691 1.5691 3.8685 3.8685 4.9856 4.9856 9.8504 9.8504 11.6626 11.6626 11.9437 11.9437 14.7259 14.7259 k = 0.5000 0.2887 0.1349 ( 368 PWs) bands (ev): 0.3616 0.3616 1.5396 1.5396 3.9878 3.9878 5.1074 5.1074 9.6474 9.6474 11.4829 11.4829 11.8974 11.8974 14.8252 14.8252 k = 0.5000 0.2887 0.1259 ( 368 PWs) bands (ev): 0.3231 0.3231 1.5107 1.5107 4.1109 4.1109 5.2295 5.2295 9.4466 9.4466 11.3033 11.3033 11.8556 11.8556 14.9227 14.9227 k = 0.5000 0.2887 0.1169 ( 368 PWs) bands (ev): 0.2872 0.2872 1.4829 1.4829 4.2370 4.2370 5.3515 5.3515 9.2483 9.2483 11.1256 11.1256 11.8169 11.8169 15.0180 15.0180 k = 0.5000 0.2887 0.1079 ( 368 PWs) bands (ev): 0.2539 0.2539 1.4564 1.4564 4.3656 4.3656 5.4728 5.4728 9.0531 9.0531 10.9511 10.9511 11.7813 11.7813 15.1104 15.1104 k = 0.5000 0.2887 0.0989 ( 368 PWs) bands (ev): 0.2232 0.2232 1.4314 1.4314 4.4961 4.4961 5.5928 5.5928 8.8615 8.8615 10.7811 10.7811 11.7487 11.7487 15.1994 15.1994 k = 0.5000 0.2887 0.0900 ( 368 PWs) bands (ev): 0.1951 0.1951 1.4081 1.4081 4.6277 4.6277 5.7105 5.7105 8.6743 8.6743 10.6167 10.6167 11.7189 11.7189 15.2843 15.2843 k = 0.5000 0.2887 0.0810 ( 364 PWs) bands (ev): 0.1696 0.1696 1.3867 1.3867 4.7598 4.7598 5.8251 5.8251 8.4924 8.4924 10.4592 10.4592 11.6919 11.6919 15.3652 15.3652 k = 0.5000 0.2887 0.0720 ( 364 PWs) bands (ev): 0.1467 0.1467 1.3673 1.3673 4.8908 4.8908 5.9353 5.9353 8.3164 8.3164 10.3100 10.3100 11.6679 11.6679 15.4397 15.4397 k = 0.5000 0.2887 0.0630 ( 364 PWs) bands (ev): 0.1266 0.1266 1.3499 1.3499 5.0197 5.0197 6.0396 6.0396 8.1480 8.1480 10.1708 10.1708 11.6466 11.6466 15.5079 15.5079 k = 0.5000 0.2887 0.0540 ( 360 PWs) bands (ev): 0.1091 0.1091 1.3349 1.3349 5.1446 5.1446 6.1367 6.1367 7.9890 7.9890 10.0447 10.0447 11.6282 11.6282 15.5690 15.5690 k = 0.5000 0.2887 0.0450 ( 358 PWs) bands (ev): 0.0943 0.0943 1.3220 1.3220 5.2632 5.2632 6.2243 6.2243 7.8419 7.8419 9.9325 9.9325 11.6126 11.6126 15.5075 15.6223 k = 0.5000 0.2887 0.0360 ( 362 PWs) bands (ev): 0.0822 0.0822 1.3113 1.3113 5.3716 5.3716 6.2999 6.2999 7.7094 7.7094 9.8341 9.8341 11.5998 11.5998 15.4923 15.4923 k = 0.5000 0.2887 0.0270 ( 366 PWs) bands (ev): 0.0728 0.0728 1.3030 1.3030 5.4654 5.4654 6.3617 6.3617 7.5965 7.5965 9.7507 9.7507 11.5899 11.5899 15.4782 15.4782 k = 0.5000 0.2887 0.0180 ( 366 PWs) bands (ev): 0.0660 0.0660 1.2971 1.2971 5.5392 5.5392 6.4076 6.4076 7.5101 7.5101 9.6923 9.6923 11.5828 11.5828 15.4703 15.4703 k = 0.5000 0.2887 0.0090 ( 366 PWs) bands (ev): 0.0620 0.0620 1.2935 1.2935 5.5869 5.5869 6.4359 6.4359 7.4549 7.4549 9.6564 9.6564 11.5786 11.5786 15.4655 15.4655 k = 0.5000 0.2887-0.0000 ( 366 PWs) bands (ev): 0.0606 0.0606 1.2923 1.2923 5.6035 5.6035 6.4455 6.4455 7.4359 7.4359 9.6443 9.6443 11.5771 11.5771 15.4639 15.4639 k = 0.3333 0.5774-0.0000 ( 372 PWs) bands (ev): 1.9091 1.9091 1.9333 1.9333 4.3009 4.3009 7.8467 7.8467 7.9686 7.9686 8.7713 8.7713 9.4259 9.4259 9.4307 9.4307 k = 0.3333 0.5774 0.0090 ( 372 PWs) bands (ev): 1.9102 1.9102 1.9344 1.9344 4.3023 4.3023 7.8274 7.8274 7.9475 7.9475 8.7653 8.7653 9.4479 9.4479 9.4538 9.4538 k = 0.3333 0.5774 0.0180 ( 372 PWs) bands (ev): 1.9138 1.9138 1.9379 1.9379 4.3066 4.3066 7.7723 7.7723 7.8879 7.8879 8.7472 8.7472 9.5108 9.5108 9.5198 9.5198 k = 0.3333 0.5774 0.0270 ( 372 PWs) bands (ev): 1.9197 1.9197 1.9437 1.9437 4.3137 4.3137 7.6886 7.6886 7.7986 7.7986 8.7166 8.7166 9.6075 9.6075 9.6206 9.6206 k = 0.3333 0.5774 0.0360 ( 372 PWs) bands (ev): 1.9280 1.9280 1.9519 1.9519 4.3236 4.3236 7.5843 7.5843 7.6887 7.6887 8.6739 8.6739 9.7300 9.7300 9.7475 9.7475 k = 0.3333 0.5774 0.0450 ( 372 PWs) bands (ev): 1.9386 1.9386 1.9623 1.9623 4.3364 4.3364 7.4661 7.4661 7.5655 7.5655 8.6198 8.6198 9.8716 9.8716 9.8932 9.8932 k = 0.3333 0.5774 0.0540 ( 366 PWs) bands (ev): 1.9516 1.9516 1.9751 1.9751 4.3526 4.3526 7.3390 7.3390 7.4344 7.4344 8.5560 8.5560 10.0282 10.0282 10.0534 10.0534 k = 0.3333 0.5774 0.0630 ( 366 PWs) bands (ev): 1.9668 1.9668 1.9900 1.9900 4.3711 4.3711 7.2062 7.2062 7.2983 7.2983 8.4826 8.4826 10.1945 10.1945 10.2229 10.2229 k = 0.3333 0.5774 0.0720 ( 372 PWs) bands (ev): 1.9842 1.9842 2.0071 2.0071 4.3923 4.3923 7.0697 7.0697 7.1591 7.1591 8.4007 8.4007 10.3687 10.3687 10.3998 10.3998 k = 0.3333 0.5774 0.0810 ( 372 PWs) bands (ev): 2.0038 2.0038 2.0264 2.0264 4.4164 4.4164 6.9324 6.9324 7.0197 7.0197 8.3128 8.3128 10.5496 10.5496 10.5831 10.5831 k = 0.3333 0.5774 0.0900 ( 378 PWs) bands (ev): 2.0254 2.0254 2.0476 2.0476 4.4433 4.4433 6.7947 6.7947 6.8804 6.8804 8.2187 8.2187 10.7350 10.7350 10.7705 10.7705 k = 0.3333 0.5774 0.0989 ( 378 PWs) bands (ev): 2.0493 2.0493 2.0710 2.0710 4.4731 4.4731 6.6579 6.6579 6.7423 6.7423 8.1205 8.1205 10.9252 10.9252 10.9626 10.9626 k = 0.3333 0.5774 0.1079 ( 381 PWs) bands (ev): 2.0752 2.0752 2.0964 2.0964 4.5056 4.5056 6.5217 6.5217 6.6052 6.6052 8.0171 8.0171 11.1186 11.1186 11.1577 11.1577 k = 0.3333 0.5774 0.1169 ( 378 PWs) bands (ev): 2.1031 2.1031 2.1237 2.1237 4.5409 4.5409 6.3881 6.3881 6.4710 6.4710 7.9121 7.9121 11.3160 11.3160 11.3566 11.3566 k = 0.3333 0.5774 0.1259 ( 372 PWs) bands (ev): 2.1328 2.1328 2.1528 2.1528 4.5790 4.5790 6.2569 6.2569 6.3394 6.3394 7.8047 7.8047 11.5162 11.5162 11.5583 11.5583 k = 0.3333 0.5774 0.1349 ( 372 PWs) bands (ev): 2.1642 2.1642 2.1835 2.1835 4.6199 4.6199 6.1282 6.1282 6.2106 6.2106 7.6956 7.6956 11.7164 11.7164 11.7599 11.7599 k = 0.3333 0.5774 0.1439 ( 372 PWs) bands (ev): 2.1973 2.1973 2.2158 2.2158 4.6635 4.6635 6.0026 6.0026 6.0850 6.0850 7.5854 7.5854 11.9176 11.9176 11.9625 11.9625 k = 0.3333 0.5774 0.1529 ( 372 PWs) bands (ev): 2.2318 2.2318 2.2495 2.2495 4.7098 4.7098 5.8803 5.8803 5.9629 5.9629 7.4744 7.4744 12.1194 12.1194 12.1656 12.1656 k = 0.3333 0.5774 0.1619 ( 372 PWs) bands (ev): 2.2675 2.2675 2.2843 2.2843 4.7589 4.7589 5.7616 5.7616 5.8447 5.8447 7.3631 7.3631 12.3211 12.3211 12.3686 12.3686 k = 0.3333 0.5774 0.1709 ( 372 PWs) bands (ev): 2.3043 2.3043 2.3201 2.3201 4.8106 4.8106 5.6469 5.6469 5.7307 5.7307 7.2518 7.2518 12.5221 12.5221 12.5709 12.5709 k = 0.3333 0.5774 0.1799 ( 372 PWs) bands (ev): 2.3419 2.3419 2.3567 2.3567 4.8650 4.8650 5.5365 5.5365 5.6212 5.6212 7.1410 7.1410 12.7215 12.7215 12.7717 12.7717 k = 0.3333 0.5774 0.1889 ( 372 PWs) bands (ev): 2.3801 2.3801 2.3937 2.3937 4.9219 4.9219 5.4308 5.4308 5.5166 5.5166 7.0307 7.0307 12.9185 12.9185 12.9700 12.9700 k = 0.3333 0.5774 0.1979 ( 372 PWs) bands (ev): 2.4184 2.4184 2.4307 2.4307 4.9811 4.9811 5.3301 5.3301 5.4175 5.4175 6.9214 6.9214 13.1119 13.1119 13.1649 13.1649 k = 0.3333 0.5774 0.2069 ( 372 PWs) bands (ev): 2.4565 2.4565 2.4675 2.4675 5.0422 5.0422 5.2349 5.2349 5.3249 5.3249 6.8132 6.8132 13.3007 13.3007 13.3551 13.3551 k = 0.3333 0.5774 0.2159 ( 372 PWs) bands (ev): 2.4939 2.4939 2.5035 2.5035 5.1025 5.1025 5.1458 5.1458 5.2418 5.2418 6.7063 6.7063 13.4832 13.4832 13.5392 13.5392 k = 0.3333 0.5774 0.2249 ( 372 PWs) bands (ev): 2.5301 2.5301 2.5383 2.5383 5.0632 5.0632 5.1280 5.1280 5.2027 5.2027 6.6009 6.6009 13.6576 13.6576 13.7153 13.7153 k = 0.3333 0.5774 0.2339 ( 372 PWs) bands (ev): 2.5645 2.5645 2.5712 2.5712 4.9878 4.9878 5.0704 5.0704 5.2565 5.2565 6.4971 6.4971 13.8220 13.8220 13.8813 13.8813 k = 0.3333 0.5774 0.2429 ( 372 PWs) bands (ev): 2.5965 2.5965 2.6017 2.6017 4.9203 4.9203 5.0070 5.0070 5.3264 5.3264 6.3952 6.3952 13.9737 13.9737 14.0347 14.0347 k = 0.3333 0.5774 0.2519 ( 366 PWs) bands (ev): 2.6254 2.6254 2.6293 2.6293 4.8615 4.8615 4.9505 4.9505 5.4006 5.4006 6.2953 6.2953 14.1110 14.1110 14.1737 14.1737 k = 0.3333 0.5774 0.2609 ( 366 PWs) bands (ev): 2.6503 2.6503 2.6529 2.6529 4.8120 4.8120 4.9027 4.9027 5.4774 5.4774 6.1976 6.1976 14.2288 14.2288 14.2930 14.2930 k = 0.3333 0.5774 0.2699 ( 363 PWs) bands (ev): 2.6706 2.6706 2.6722 2.6722 4.7725 4.7725 4.8645 4.8645 5.5561 5.5561 6.1031 6.1031 14.3249 14.3249 14.3904 14.3904 k = 0.3333 0.5774 0.2788 ( 363 PWs) bands (ev): 2.6857 2.6857 2.6864 2.6864 4.7438 4.7438 4.8367 4.8367 5.6359 5.6359 6.0117 6.0117 14.3962 14.3962 14.4629 14.4629 k = 0.3333 0.5774 0.2878 ( 363 PWs) bands (ev): 2.6949 2.6949 2.6951 2.6951 4.7263 4.7263 4.8198 4.8198 5.7128 5.7128 5.9279 5.9279 14.4403 14.4403 14.5076 14.5076 k = 0.3333 0.5774 0.2968 ( 360 PWs) bands (ev): 2.6980 2.6980 2.6980 2.6980 4.7204 4.7204 4.8142 4.8142 5.7588 5.7588 5.8796 5.8796 14.4552 14.4552 14.5227 14.5227 Writing output data file Ge.save init_run : 0.16s CPU 0.27s WALL ( 1 calls) electrons : 13.31s CPU 14.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.01s WALL ( 1 calls) Called by electrons: c_bands : 13.30s CPU 14.21s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 450 calls) cegterg : 12.12s CPU 12.58s WALL ( 450 calls) Called by sum_band: Called by *egterg: h_psi : 4.61s CPU 5.00s WALL ( 4475 calls) s_psi : 0.07s CPU 0.09s WALL ( 4475 calls) g_psi : 0.01s CPU 0.01s WALL ( 3575 calls) cdiaghg : 7.15s CPU 7.30s WALL ( 4025 calls) cegterg:over : 0.41s CPU 0.43s WALL ( 3575 calls) cegterg:upda : 0.26s CPU 0.29s WALL ( 3575 calls) cegterg:last : 0.19s CPU 0.15s WALL ( 965 calls) cdiaghg:chol : 0.38s CPU 0.41s WALL ( 4025 calls) cdiaghg:inve : 0.08s CPU 0.09s WALL ( 4025 calls) cdiaghg:para : 0.54s CPU 0.52s WALL ( 8050 calls) Called by h_psi: h_psi:vloc : 4.28s CPU 4.63s WALL ( 4475 calls) h_psi:vnl : 0.33s CPU 0.35s WALL ( 4475 calls) add_vuspsi : 0.14s CPU 0.12s WALL ( 4475 calls) General routines calbec : 0.17s CPU 0.22s WALL ( 4475 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 4.08s CPU 4.40s WALL ( 218300 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.25s WALL ( 900 calls) Parallel routines fft_scatter : 3.17s CPU 3.47s WALL ( 218323 calls) PWSCF : 17.66s CPU 27.34s WALL This run was terminated on: 19: 8: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=