Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:54:48 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: ./H2.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 13 11 3 397 296 49 Max 14 12 4 402 306 60 Sum 499 421 121 14401 10827 1919 bravais-lattice index = 14 lattice parameter (alat) = 5.6654 a.u. unit-cell volume = 257.0192 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 4.00 number of Kohn-Sham states= 12 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 222.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.665399 celldm(2)= 1.000000 celldm(3)= 1.632088 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 1.632088 ) 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 0.612712 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 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 inv. 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 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 440 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0081967 0.0047324 -0.0000000), wk = 0.0022727 k( 3) = ( 0.0163934 0.0094648 -0.0000000), wk = 0.0022727 k( 4) = ( 0.0245902 0.0141971 -0.0000000), wk = 0.0022727 k( 5) = ( 0.0327869 0.0189295 -0.0000000), wk = 0.0022727 k( 6) = ( 0.0409836 0.0236619 -0.0000000), wk = 0.0022727 k( 7) = ( 0.0491803 0.0283943 -0.0000000), wk = 0.0022727 k( 8) = ( 0.0573770 0.0331267 -0.0000000), wk = 0.0022727 k( 9) = ( 0.0655738 0.0378590 -0.0000000), wk = 0.0022727 k( 10) = ( 0.0737705 0.0425914 -0.0000000), wk = 0.0022727 k( 11) = ( 0.0819672 0.0473238 -0.0000000), wk = 0.0022727 k( 12) = ( 0.0901639 0.0520562 -0.0000000), wk = 0.0022727 k( 13) = ( 0.0983607 0.0567886 -0.0000000), wk = 0.0022727 k( 14) = ( 0.1065574 0.0615209 -0.0000000), wk = 0.0022727 k( 15) = ( 0.1147541 0.0662533 -0.0000000), wk = 0.0022727 k( 16) = ( 0.1229508 0.0709857 -0.0000000), wk = 0.0022727 k( 17) = ( 0.1311475 0.0757181 -0.0000000), wk = 0.0022727 k( 18) = ( 0.1393443 0.0804504 -0.0000000), wk = 0.0022727 k( 19) = ( 0.1475410 0.0851828 -0.0000000), wk = 0.0022727 k( 20) = ( 0.1557377 0.0899152 -0.0000000), wk = 0.0022727 k( 21) = ( 0.1639344 0.0946476 -0.0000000), wk = 0.0022727 k( 22) = ( 0.1721312 0.0993800 -0.0000000), wk = 0.0022727 k( 23) = ( 0.1803279 0.1041123 -0.0000000), wk = 0.0022727 k( 24) = ( 0.1885246 0.1088447 -0.0000000), wk = 0.0022727 k( 25) = ( 0.1967213 0.1135771 -0.0000000), wk = 0.0022727 k( 26) = ( 0.2049180 0.1183095 -0.0000000), wk = 0.0022727 k( 27) = ( 0.2131147 0.1230419 -0.0000000), wk = 0.0022727 k( 28) = ( 0.2213115 0.1277742 -0.0000000), wk = 0.0022727 k( 29) = ( 0.2295082 0.1325066 -0.0000000), wk = 0.0022727 k( 30) = ( 0.2377049 0.1372390 -0.0000000), wk = 0.0022727 k( 31) = ( 0.2459016 0.1419714 -0.0000000), wk = 0.0022727 k( 32) = ( 0.2540984 0.1467038 -0.0000000), wk = 0.0022727 k( 33) = ( 0.2622951 0.1514361 -0.0000000), wk = 0.0022727 k( 34) = ( 0.2704918 0.1561685 -0.0000000), wk = 0.0022727 k( 35) = ( 0.2786885 0.1609009 -0.0000000), wk = 0.0022727 k( 36) = ( 0.2868852 0.1656333 -0.0000000), wk = 0.0022727 k( 37) = ( 0.2950820 0.1703657 -0.0000000), wk = 0.0022727 k( 38) = ( 0.3032787 0.1750980 -0.0000000), wk = 0.0022727 k( 39) = ( 0.3114754 0.1798304 -0.0000000), wk = 0.0022727 k( 40) = ( 0.3196721 0.1845628 -0.0000000), wk = 0.0022727 k( 41) = ( 0.3278688 0.1892952 -0.0000000), wk = 0.0022727 k( 42) = ( 0.3360656 0.1940275 -0.0000000), wk = 0.0022727 k( 43) = ( 0.3442623 0.1987599 -0.0000000), wk = 0.0022727 k( 44) = ( 0.3524590 0.2034923 -0.0000000), wk = 0.0022727 k( 45) = ( 0.3606557 0.2082247 -0.0000000), wk = 0.0022727 k( 46) = ( 0.3688525 0.2129571 -0.0000000), wk = 0.0022727 k( 47) = ( 0.3770492 0.2176894 -0.0000000), wk = 0.0022727 k( 48) = ( 0.3852459 0.2224218 -0.0000000), wk = 0.0022727 k( 49) = ( 0.3934426 0.2271542 -0.0000000), wk = 0.0022727 k( 50) = ( 0.4016393 0.2318866 -0.0000000), wk = 0.0022727 k( 51) = ( 0.4098361 0.2366190 -0.0000000), wk = 0.0022727 k( 52) = ( 0.4180328 0.2413513 -0.0000000), wk = 0.0022727 k( 53) = ( 0.4262295 0.2460837 -0.0000000), wk = 0.0022727 k( 54) = ( 0.4344262 0.2508161 -0.0000000), wk = 0.0022727 k( 55) = ( 0.4426230 0.2555485 -0.0000000), wk = 0.0022727 k( 56) = ( 0.4508197 0.2602809 -0.0000000), wk = 0.0022727 k( 57) = ( 0.4590164 0.2650132 -0.0000000), wk = 0.0022727 k( 58) = ( 0.4672131 0.2697456 -0.0000000), wk = 0.0022727 k( 59) = ( 0.4754098 0.2744780 -0.0000000), wk = 0.0022727 k( 60) = ( 0.4836066 0.2792104 -0.0000000), wk = 0.0022727 k( 61) = ( 0.4918033 0.2839428 -0.0000000), wk = 0.0022727 k( 62) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022727 k( 63) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022727 k( 64) = ( 0.4952381 0.2969230 -0.0000000), wk = 0.0022727 k( 65) = ( 0.4904762 0.3051709 -0.0000000), wk = 0.0022727 k( 66) = ( 0.4857143 0.3134187 -0.0000000), wk = 0.0022727 k( 67) = ( 0.4809524 0.3216666 -0.0000000), wk = 0.0022727 k( 68) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0022727 k( 69) = ( 0.4714286 0.3381623 -0.0000000), wk = 0.0022727 k( 70) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0022727 k( 71) = ( 0.4619048 0.3546580 -0.0000000), wk = 0.0022727 k( 72) = ( 0.4571429 0.3629059 -0.0000000), wk = 0.0022727 k( 73) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0022727 k( 74) = ( 0.4476191 0.3794016 -0.0000000), wk = 0.0022727 k( 75) = ( 0.4428571 0.3876495 -0.0000000), wk = 0.0022727 k( 76) = ( 0.4380952 0.3958973 -0.0000000), wk = 0.0022727 k( 77) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0022727 k( 78) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0022727 k( 79) = ( 0.4238095 0.4206409 -0.0000000), wk = 0.0022727 k( 80) = ( 0.4190476 0.4288888 -0.0000000), wk = 0.0022727 k( 81) = ( 0.4142857 0.4371366 -0.0000000), wk = 0.0022727 k( 82) = ( 0.4095238 0.4453845 -0.0000000), wk = 0.0022727 k( 83) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0022727 k( 84) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0022727 k( 85) = ( 0.3952381 0.4701281 -0.0000000), wk = 0.0022727 k( 86) = ( 0.3904762 0.4783759 -0.0000000), wk = 0.0022727 k( 87) = ( 0.3857143 0.4866238 -0.0000000), wk = 0.0022727 k( 88) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0022727 k( 89) = ( 0.3761905 0.5031195 -0.0000000), wk = 0.0022727 k( 90) = ( 0.3714286 0.5113674 -0.0000000), wk = 0.0022727 k( 91) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0022727 k( 92) = ( 0.3619048 0.5278631 -0.0000000), wk = 0.0022727 k( 93) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0022727 k( 94) = ( 0.3523810 0.5443588 -0.0000000), wk = 0.0022727 k( 95) = ( 0.3476190 0.5526067 -0.0000000), wk = 0.0022727 k( 96) = ( 0.3428571 0.5608545 -0.0000000), wk = 0.0022727 k( 97) = ( 0.3380952 0.5691024 -0.0000000), wk = 0.0022727 k( 98) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022727 k( 99) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022727 k( 100) = ( 0.3285714 0.5691024 -0.0000000), wk = 0.0022727 k( 101) = ( 0.3238095 0.5608545 -0.0000000), wk = 0.0022727 k( 102) = ( 0.3190476 0.5526067 -0.0000000), wk = 0.0022727 k( 103) = ( 0.3142857 0.5443588 -0.0000000), wk = 0.0022727 k( 104) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0022727 k( 105) = ( 0.3047619 0.5278631 -0.0000000), wk = 0.0022727 k( 106) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0022727 k( 107) = ( 0.2952381 0.5113674 -0.0000000), wk = 0.0022727 k( 108) = ( 0.2904762 0.5031195 -0.0000000), wk = 0.0022727 k( 109) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0022727 k( 110) = ( 0.2809524 0.4866238 -0.0000000), wk = 0.0022727 k( 111) = ( 0.2761905 0.4783759 -0.0000000), wk = 0.0022727 k( 112) = ( 0.2714286 0.4701281 -0.0000000), wk = 0.0022727 k( 113) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0022727 k( 114) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0022727 k( 115) = ( 0.2571429 0.4453845 -0.0000000), wk = 0.0022727 k( 116) = ( 0.2523809 0.4371366 -0.0000000), wk = 0.0022727 k( 117) = ( 0.2476191 0.4288888 -0.0000000), wk = 0.0022727 k( 118) = ( 0.2428571 0.4206409 -0.0000000), wk = 0.0022727 k( 119) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0022727 k( 120) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0022727 k( 121) = ( 0.2285714 0.3958973 -0.0000000), wk = 0.0022727 k( 122) = ( 0.2238095 0.3876495 -0.0000000), wk = 0.0022727 k( 123) = ( 0.2190476 0.3794016 -0.0000000), wk = 0.0022727 k( 124) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0022727 k( 125) = ( 0.2095238 0.3629059 -0.0000000), wk = 0.0022727 k( 126) = ( 0.2047619 0.3546580 -0.0000000), wk = 0.0022727 k( 127) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0022727 k( 128) = ( 0.1952381 0.3381623 -0.0000000), wk = 0.0022727 k( 129) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0022727 k( 130) = ( 0.1857143 0.3216666 -0.0000000), wk = 0.0022727 k( 131) = ( 0.1809524 0.3134187 -0.0000000), wk = 0.0022727 k( 132) = ( 0.1761905 0.3051709 -0.0000000), wk = 0.0022727 k( 133) = ( 0.1714286 0.2969230 -0.0000000), wk = 0.0022727 k( 134) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0022727 k( 135) = ( 0.1619048 0.2804273 -0.0000000), wk = 0.0022727 k( 136) = ( 0.1571429 0.2721794 -0.0000000), wk = 0.0022727 k( 137) = ( 0.1523809 0.2639315 -0.0000000), wk = 0.0022727 k( 138) = ( 0.1476191 0.2556837 -0.0000000), wk = 0.0022727 k( 139) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0022727 k( 140) = ( 0.1380952 0.2391880 -0.0000000), wk = 0.0022727 k( 141) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0022727 k( 142) = ( 0.1285714 0.2226922 -0.0000000), wk = 0.0022727 k( 143) = ( 0.1238095 0.2144444 -0.0000000), wk = 0.0022727 k( 144) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0022727 k( 145) = ( 0.1142857 0.1979487 -0.0000000), wk = 0.0022727 k( 146) = ( 0.1095238 0.1897008 -0.0000000), wk = 0.0022727 k( 147) = ( 0.1047619 0.1814529 -0.0000000), wk = 0.0022727 k( 148) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0022727 k( 149) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0022727 k( 150) = ( 0.0904762 0.1567094 -0.0000000), wk = 0.0022727 k( 151) = ( 0.0857143 0.1484615 -0.0000000), wk = 0.0022727 k( 152) = ( 0.0809524 0.1402136 -0.0000000), wk = 0.0022727 k( 153) = ( 0.0761905 0.1319658 -0.0000000), wk = 0.0022727 k( 154) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0022727 k( 155) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0022727 k( 156) = ( 0.0619048 0.1072222 -0.0000000), wk = 0.0022727 k( 157) = ( 0.0571429 0.0989743 -0.0000000), wk = 0.0022727 k( 158) = ( 0.0523810 0.0907265 -0.0000000), wk = 0.0022727 k( 159) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0022727 k( 160) = ( 0.0428571 0.0742307 -0.0000000), wk = 0.0022727 k( 161) = ( 0.0380952 0.0659829 -0.0000000), wk = 0.0022727 k( 162) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0022727 k( 163) = ( 0.0285714 0.0494872 -0.0000000), wk = 0.0022727 k( 164) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0022727 k( 165) = ( 0.0190476 0.0329914 -0.0000000), wk = 0.0022727 k( 166) = ( 0.0142857 0.0247436 -0.0000000), wk = 0.0022727 k( 167) = ( 0.0095238 0.0164957 -0.0000000), wk = 0.0022727 k( 168) = ( 0.0047619 0.0082479 -0.0000000), wk = 0.0022727 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 171) = ( 0.0000000 0.0000000 0.0092835), wk = 0.0022727 k( 172) = ( 0.0000000 0.0000000 0.0185670), wk = 0.0022727 k( 173) = ( 0.0000000 0.0000000 0.0278505), wk = 0.0022727 k( 174) = ( 0.0000000 0.0000000 0.0371341), wk = 0.0022727 k( 175) = ( 0.0000000 0.0000000 0.0464176), wk = 0.0022727 k( 176) = ( 0.0000000 0.0000000 0.0557011), wk = 0.0022727 k( 177) = ( 0.0000000 0.0000000 0.0649846), wk = 0.0022727 k( 178) = ( 0.0000000 0.0000000 0.0742681), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.0835516), wk = 0.0022727 k( 180) = ( 0.0000000 0.0000000 0.0928352), wk = 0.0022727 k( 181) = ( 0.0000000 0.0000000 0.1021187), wk = 0.0022727 k( 182) = ( 0.0000000 0.0000000 0.1114022), wk = 0.0022727 k( 183) = ( 0.0000000 0.0000000 0.1206857), wk = 0.0022727 k( 184) = ( 0.0000000 0.0000000 0.1299692), wk = 0.0022727 k( 185) = ( 0.0000000 0.0000000 0.1392527), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.1485363), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.1578198), wk = 0.0022727 k( 188) = ( 0.0000000 0.0000000 0.1671033), wk = 0.0022727 k( 189) = ( 0.0000000 0.0000000 0.1763868), wk = 0.0022727 k( 190) = ( 0.0000000 0.0000000 0.1856703), wk = 0.0022727 k( 191) = ( 0.0000000 0.0000000 0.1949538), wk = 0.0022727 k( 192) = ( 0.0000000 0.0000000 0.2042373), wk = 0.0022727 k( 193) = ( 0.0000000 0.0000000 0.2135209), wk = 0.0022727 k( 194) = ( 0.0000000 0.0000000 0.2228044), wk = 0.0022727 k( 195) = ( 0.0000000 0.0000000 0.2320879), wk = 0.0022727 k( 196) = ( 0.0000000 0.0000000 0.2413714), wk = 0.0022727 k( 197) = ( 0.0000000 0.0000000 0.2506549), wk = 0.0022727 k( 198) = ( 0.0000000 0.0000000 0.2599384), wk = 0.0022727 k( 199) = ( 0.0000000 0.0000000 0.2692220), wk = 0.0022727 k( 200) = ( 0.0000000 0.0000000 0.2785055), wk = 0.0022727 k( 201) = ( 0.0000000 0.0000000 0.2877890), wk = 0.0022727 k( 202) = ( 0.0000000 0.0000000 0.2970725), wk = 0.0022727 k( 203) = ( 0.0000000 0.0000000 0.3063560), wk = 0.0022727 k( 204) = ( 0.0000000 0.0000000 0.3063560), wk = 0.0022727 k( 205) = ( 0.0081967 0.0047324 0.3063560), wk = 0.0022727 k( 206) = ( 0.0163934 0.0094648 0.3063560), wk = 0.0022727 k( 207) = ( 0.0245902 0.0141971 0.3063560), wk = 0.0022727 k( 208) = ( 0.0327869 0.0189295 0.3063560), wk = 0.0022727 k( 209) = ( 0.0409836 0.0236619 0.3063560), wk = 0.0022727 k( 210) = ( 0.0491803 0.0283943 0.3063560), wk = 0.0022727 k( 211) = ( 0.0573770 0.0331267 0.3063560), wk = 0.0022727 k( 212) = ( 0.0655738 0.0378590 0.3063560), wk = 0.0022727 k( 213) = ( 0.0737705 0.0425914 0.3063560), wk = 0.0022727 k( 214) = ( 0.0819672 0.0473238 0.3063560), wk = 0.0022727 k( 215) = ( 0.0901639 0.0520562 0.3063560), wk = 0.0022727 k( 216) = ( 0.0983607 0.0567886 0.3063560), wk = 0.0022727 k( 217) = ( 0.1065574 0.0615209 0.3063560), wk = 0.0022727 k( 218) = ( 0.1147541 0.0662533 0.3063560), wk = 0.0022727 k( 219) = ( 0.1229508 0.0709857 0.3063560), wk = 0.0022727 k( 220) = ( 0.1311475 0.0757181 0.3063560), wk = 0.0022727 k( 221) = ( 0.1393443 0.0804504 0.3063560), wk = 0.0022727 k( 222) = ( 0.1475410 0.0851828 0.3063560), wk = 0.0022727 k( 223) = ( 0.1557377 0.0899152 0.3063560), wk = 0.0022727 k( 224) = ( 0.1639344 0.0946476 0.3063560), wk = 0.0022727 k( 225) = ( 0.1721312 0.0993800 0.3063560), wk = 0.0022727 k( 226) = ( 0.1803279 0.1041123 0.3063560), wk = 0.0022727 k( 227) = ( 0.1885246 0.1088447 0.3063560), wk = 0.0022727 k( 228) = ( 0.1967213 0.1135771 0.3063560), wk = 0.0022727 k( 229) = ( 0.2049180 0.1183095 0.3063560), wk = 0.0022727 k( 230) = ( 0.2131147 0.1230419 0.3063560), wk = 0.0022727 k( 231) = ( 0.2213115 0.1277742 0.3063560), wk = 0.0022727 k( 232) = ( 0.2295082 0.1325066 0.3063560), wk = 0.0022727 k( 233) = ( 0.2377049 0.1372390 0.3063560), wk = 0.0022727 k( 234) = ( 0.2459016 0.1419714 0.3063560), wk = 0.0022727 k( 235) = ( 0.2540984 0.1467038 0.3063560), wk = 0.0022727 k( 236) = ( 0.2622951 0.1514361 0.3063560), wk = 0.0022727 k( 237) = ( 0.2704918 0.1561685 0.3063560), wk = 0.0022727 k( 238) = ( 0.2786885 0.1609009 0.3063560), wk = 0.0022727 k( 239) = ( 0.2868852 0.1656333 0.3063560), wk = 0.0022727 k( 240) = ( 0.2950820 0.1703657 0.3063560), wk = 0.0022727 k( 241) = ( 0.3032787 0.1750980 0.3063560), wk = 0.0022727 k( 242) = ( 0.3114754 0.1798304 0.3063560), wk = 0.0022727 k( 243) = ( 0.3196721 0.1845628 0.3063560), wk = 0.0022727 k( 244) = ( 0.3278688 0.1892952 0.3063560), wk = 0.0022727 k( 245) = ( 0.3360656 0.1940275 0.3063560), wk = 0.0022727 k( 246) = ( 0.3442623 0.1987599 0.3063560), wk = 0.0022727 k( 247) = ( 0.3524590 0.2034923 0.3063560), wk = 0.0022727 k( 248) = ( 0.3606557 0.2082247 0.3063560), wk = 0.0022727 k( 249) = ( 0.3688525 0.2129571 0.3063560), wk = 0.0022727 k( 250) = ( 0.3770492 0.2176894 0.3063560), wk = 0.0022727 k( 251) = ( 0.3852459 0.2224218 0.3063560), wk = 0.0022727 k( 252) = ( 0.3934426 0.2271542 0.3063560), wk = 0.0022727 k( 253) = ( 0.4016393 0.2318866 0.3063560), wk = 0.0022727 k( 254) = ( 0.4098361 0.2366190 0.3063560), wk = 0.0022727 k( 255) = ( 0.4180328 0.2413513 0.3063560), wk = 0.0022727 k( 256) = ( 0.4262295 0.2460837 0.3063560), wk = 0.0022727 k( 257) = ( 0.4344262 0.2508161 0.3063560), wk = 0.0022727 k( 258) = ( 0.4426230 0.2555485 0.3063560), wk = 0.0022727 k( 259) = ( 0.4508197 0.2602809 0.3063560), wk = 0.0022727 k( 260) = ( 0.4590164 0.2650132 0.3063560), wk = 0.0022727 k( 261) = ( 0.4672131 0.2697456 0.3063560), wk = 0.0022727 k( 262) = ( 0.4754098 0.2744780 0.3063560), wk = 0.0022727 k( 263) = ( 0.4836066 0.2792104 0.3063560), wk = 0.0022727 k( 264) = ( 0.4918033 0.2839428 0.3063560), wk = 0.0022727 k( 265) = ( 0.5000000 0.2886751 0.3063560), wk = 0.0022727 k( 266) = ( 0.5000000 0.2886751 0.3063560), wk = 0.0022727 k( 267) = ( 0.4952381 0.2969230 0.3063560), wk = 0.0022727 k( 268) = ( 0.4904762 0.3051709 0.3063560), wk = 0.0022727 k( 269) = ( 0.4857143 0.3134187 0.3063560), wk = 0.0022727 k( 270) = ( 0.4809524 0.3216666 0.3063560), wk = 0.0022727 k( 271) = ( 0.4761905 0.3299144 0.3063560), wk = 0.0022727 k( 272) = ( 0.4714286 0.3381623 0.3063560), wk = 0.0022727 k( 273) = ( 0.4666667 0.3464102 0.3063560), wk = 0.0022727 k( 274) = ( 0.4619048 0.3546580 0.3063560), wk = 0.0022727 k( 275) = ( 0.4571429 0.3629059 0.3063560), wk = 0.0022727 k( 276) = ( 0.4523810 0.3711537 0.3063560), wk = 0.0022727 k( 277) = ( 0.4476191 0.3794016 0.3063560), wk = 0.0022727 k( 278) = ( 0.4428571 0.3876495 0.3063560), wk = 0.0022727 k( 279) = ( 0.4380952 0.3958973 0.3063560), wk = 0.0022727 k( 280) = ( 0.4333333 0.4041452 0.3063560), wk = 0.0022727 k( 281) = ( 0.4285714 0.4123930 0.3063560), wk = 0.0022727 k( 282) = ( 0.4238095 0.4206409 0.3063560), wk = 0.0022727 k( 283) = ( 0.4190476 0.4288888 0.3063560), wk = 0.0022727 k( 284) = ( 0.4142857 0.4371366 0.3063560), wk = 0.0022727 k( 285) = ( 0.4095238 0.4453845 0.3063560), wk = 0.0022727 k( 286) = ( 0.4047619 0.4536324 0.3063560), wk = 0.0022727 k( 287) = ( 0.4000000 0.4618802 0.3063560), wk = 0.0022727 k( 288) = ( 0.3952381 0.4701281 0.3063560), wk = 0.0022727 k( 289) = ( 0.3904762 0.4783759 0.3063560), wk = 0.0022727 k( 290) = ( 0.3857143 0.4866238 0.3063560), wk = 0.0022727 k( 291) = ( 0.3809524 0.4948717 0.3063560), wk = 0.0022727 k( 292) = ( 0.3761905 0.5031195 0.3063560), wk = 0.0022727 k( 293) = ( 0.3714286 0.5113674 0.3063560), wk = 0.0022727 k( 294) = ( 0.3666667 0.5196152 0.3063560), wk = 0.0022727 k( 295) = ( 0.3619048 0.5278631 0.3063560), wk = 0.0022727 k( 296) = ( 0.3571429 0.5361110 0.3063560), wk = 0.0022727 k( 297) = ( 0.3523810 0.5443588 0.3063560), wk = 0.0022727 k( 298) = ( 0.3476190 0.5526067 0.3063560), wk = 0.0022727 k( 299) = ( 0.3428571 0.5608545 0.3063560), wk = 0.0022727 k( 300) = ( 0.3380952 0.5691024 0.3063560), wk = 0.0022727 k( 301) = ( 0.3333333 0.5773503 0.3063560), wk = 0.0022727 k( 302) = ( 0.3333333 0.5773503 0.3063560), wk = 0.0022727 k( 303) = ( 0.3285714 0.5691024 0.3063560), wk = 0.0022727 k( 304) = ( 0.3238095 0.5608545 0.3063560), wk = 0.0022727 k( 305) = ( 0.3190476 0.5526067 0.3063560), wk = 0.0022727 k( 306) = ( 0.3142857 0.5443588 0.3063560), wk = 0.0022727 k( 307) = ( 0.3095238 0.5361110 0.3063560), wk = 0.0022727 k( 308) = ( 0.3047619 0.5278631 0.3063560), wk = 0.0022727 k( 309) = ( 0.3000000 0.5196152 0.3063560), wk = 0.0022727 k( 310) = ( 0.2952381 0.5113674 0.3063560), wk = 0.0022727 k( 311) = ( 0.2904762 0.5031195 0.3063560), wk = 0.0022727 k( 312) = ( 0.2857143 0.4948717 0.3063560), wk = 0.0022727 k( 313) = ( 0.2809524 0.4866238 0.3063560), wk = 0.0022727 k( 314) = ( 0.2761905 0.4783759 0.3063560), wk = 0.0022727 k( 315) = ( 0.2714286 0.4701281 0.3063560), wk = 0.0022727 k( 316) = ( 0.2666667 0.4618802 0.3063560), wk = 0.0022727 k( 317) = ( 0.2619048 0.4536324 0.3063560), wk = 0.0022727 k( 318) = ( 0.2571429 0.4453845 0.3063560), wk = 0.0022727 k( 319) = ( 0.2523809 0.4371366 0.3063560), wk = 0.0022727 k( 320) = ( 0.2476191 0.4288888 0.3063560), wk = 0.0022727 k( 321) = ( 0.2428571 0.4206409 0.3063560), wk = 0.0022727 k( 322) = ( 0.2380952 0.4123931 0.3063560), wk = 0.0022727 k( 323) = ( 0.2333333 0.4041452 0.3063560), wk = 0.0022727 k( 324) = ( 0.2285714 0.3958973 0.3063560), wk = 0.0022727 k( 325) = ( 0.2238095 0.3876495 0.3063560), wk = 0.0022727 k( 326) = ( 0.2190476 0.3794016 0.3063560), wk = 0.0022727 k( 327) = ( 0.2142857 0.3711537 0.3063560), wk = 0.0022727 k( 328) = ( 0.2095238 0.3629059 0.3063560), wk = 0.0022727 k( 329) = ( 0.2047619 0.3546580 0.3063560), wk = 0.0022727 k( 330) = ( 0.2000000 0.3464102 0.3063560), wk = 0.0022727 k( 331) = ( 0.1952381 0.3381623 0.3063560), wk = 0.0022727 k( 332) = ( 0.1904762 0.3299144 0.3063560), wk = 0.0022727 k( 333) = ( 0.1857143 0.3216666 0.3063560), wk = 0.0022727 k( 334) = ( 0.1809524 0.3134187 0.3063560), wk = 0.0022727 k( 335) = ( 0.1761905 0.3051709 0.3063560), wk = 0.0022727 k( 336) = ( 0.1714286 0.2969230 0.3063560), wk = 0.0022727 k( 337) = ( 0.1666667 0.2886751 0.3063560), wk = 0.0022727 k( 338) = ( 0.1619048 0.2804273 0.3063560), wk = 0.0022727 k( 339) = ( 0.1571429 0.2721794 0.3063560), wk = 0.0022727 k( 340) = ( 0.1523809 0.2639315 0.3063560), wk = 0.0022727 k( 341) = ( 0.1476191 0.2556837 0.3063560), wk = 0.0022727 k( 342) = ( 0.1428571 0.2474358 0.3063560), wk = 0.0022727 k( 343) = ( 0.1380952 0.2391880 0.3063560), wk = 0.0022727 k( 344) = ( 0.1333333 0.2309401 0.3063560), wk = 0.0022727 k( 345) = ( 0.1285714 0.2226922 0.3063560), wk = 0.0022727 k( 346) = ( 0.1238095 0.2144444 0.3063560), wk = 0.0022727 k( 347) = ( 0.1190476 0.2061965 0.3063560), wk = 0.0022727 k( 348) = ( 0.1142857 0.1979487 0.3063560), wk = 0.0022727 k( 349) = ( 0.1095238 0.1897008 0.3063560), wk = 0.0022727 k( 350) = ( 0.1047619 0.1814529 0.3063560), wk = 0.0022727 k( 351) = ( 0.1000000 0.1732051 0.3063560), wk = 0.0022727 k( 352) = ( 0.0952381 0.1649572 0.3063560), wk = 0.0022727 k( 353) = ( 0.0904762 0.1567094 0.3063560), wk = 0.0022727 k( 354) = ( 0.0857143 0.1484615 0.3063560), wk = 0.0022727 k( 355) = ( 0.0809524 0.1402136 0.3063560), wk = 0.0022727 k( 356) = ( 0.0761905 0.1319658 0.3063560), wk = 0.0022727 k( 357) = ( 0.0714286 0.1237179 0.3063560), wk = 0.0022727 k( 358) = ( 0.0666667 0.1154701 0.3063560), wk = 0.0022727 k( 359) = ( 0.0619048 0.1072222 0.3063560), wk = 0.0022727 k( 360) = ( 0.0571429 0.0989743 0.3063560), wk = 0.0022727 k( 361) = ( 0.0523810 0.0907265 0.3063560), wk = 0.0022727 k( 362) = ( 0.0476191 0.0824786 0.3063560), wk = 0.0022727 k( 363) = ( 0.0428571 0.0742307 0.3063560), wk = 0.0022727 k( 364) = ( 0.0380952 0.0659829 0.3063560), wk = 0.0022727 k( 365) = ( 0.0333333 0.0577350 0.3063560), wk = 0.0022727 k( 366) = ( 0.0285714 0.0494872 0.3063560), wk = 0.0022727 k( 367) = ( 0.0238095 0.0412393 0.3063560), wk = 0.0022727 k( 368) = ( 0.0190476 0.0329914 0.3063560), wk = 0.0022727 k( 369) = ( 0.0142857 0.0247436 0.3063560), wk = 0.0022727 k( 370) = ( 0.0095238 0.0164957 0.3063560), wk = 0.0022727 k( 371) = ( 0.0047619 0.0082479 0.3063560), wk = 0.0022727 k( 372) = ( 0.0000000 0.0000000 0.3063560), wk = 0.0022727 k( 373) = ( 0.5000000 0.2886751 0.3063560), wk = 0.0022727 k( 374) = ( 0.5000000 0.2886751 0.2970725), wk = 0.0022727 k( 375) = ( 0.5000000 0.2886751 0.2877890), wk = 0.0022727 k( 376) = ( 0.5000000 0.2886751 0.2785055), wk = 0.0022727 k( 377) = ( 0.5000000 0.2886751 0.2692220), wk = 0.0022727 k( 378) = ( 0.5000000 0.2886751 0.2599384), wk = 0.0022727 k( 379) = ( 0.5000000 0.2886751 0.2506549), wk = 0.0022727 k( 380) = ( 0.5000000 0.2886751 0.2413714), wk = 0.0022727 k( 381) = ( 0.5000000 0.2886751 0.2320879), wk = 0.0022727 k( 382) = ( 0.5000000 0.2886751 0.2228044), wk = 0.0022727 k( 383) = ( 0.5000000 0.2886751 0.2135209), wk = 0.0022727 k( 384) = ( 0.5000000 0.2886751 0.2042373), wk = 0.0022727 k( 385) = ( 0.5000000 0.2886751 0.1949538), wk = 0.0022727 k( 386) = ( 0.5000000 0.2886751 0.1856703), wk = 0.0022727 k( 387) = ( 0.5000000 0.2886751 0.1763868), wk = 0.0022727 k( 388) = ( 0.5000000 0.2886751 0.1671033), wk = 0.0022727 k( 389) = ( 0.5000000 0.2886751 0.1578198), wk = 0.0022727 k( 390) = ( 0.5000000 0.2886751 0.1485363), wk = 0.0022727 k( 391) = ( 0.5000000 0.2886751 0.1392527), wk = 0.0022727 k( 392) = ( 0.5000000 0.2886751 0.1299692), wk = 0.0022727 k( 393) = ( 0.5000000 0.2886751 0.1206857), wk = 0.0022727 k( 394) = ( 0.5000000 0.2886751 0.1114022), wk = 0.0022727 k( 395) = ( 0.5000000 0.2886751 0.1021187), wk = 0.0022727 k( 396) = ( 0.5000000 0.2886751 0.0928352), wk = 0.0022727 k( 397) = ( 0.5000000 0.2886751 0.0835516), wk = 0.0022727 k( 398) = ( 0.5000000 0.2886751 0.0742681), wk = 0.0022727 k( 399) = ( 0.5000000 0.2886751 0.0649846), wk = 0.0022727 k( 400) = ( 0.5000000 0.2886751 0.0557011), wk = 0.0022727 k( 401) = ( 0.5000000 0.2886751 0.0464176), wk = 0.0022727 k( 402) = ( 0.5000000 0.2886751 0.0371341), wk = 0.0022727 k( 403) = ( 0.5000000 0.2886751 0.0278505), wk = 0.0022727 k( 404) = ( 0.5000000 0.2886751 0.0185670), wk = 0.0022727 k( 405) = ( 0.5000000 0.2886751 0.0092835), wk = 0.0022727 k( 406) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022727 k( 407) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022727 k( 408) = ( 0.3333333 0.5773503 0.0092835), wk = 0.0022727 k( 409) = ( 0.3333333 0.5773503 0.0185670), wk = 0.0022727 k( 410) = ( 0.3333333 0.5773503 0.0278505), wk = 0.0022727 k( 411) = ( 0.3333333 0.5773503 0.0371341), wk = 0.0022727 k( 412) = ( 0.3333333 0.5773503 0.0464176), wk = 0.0022727 k( 413) = ( 0.3333333 0.5773503 0.0557011), wk = 0.0022727 k( 414) = ( 0.3333333 0.5773503 0.0649846), wk = 0.0022727 k( 415) = ( 0.3333333 0.5773503 0.0742681), wk = 0.0022727 k( 416) = ( 0.3333333 0.5773503 0.0835516), wk = 0.0022727 k( 417) = ( 0.3333333 0.5773503 0.0928352), wk = 0.0022727 k( 418) = ( 0.3333333 0.5773503 0.1021187), wk = 0.0022727 k( 419) = ( 0.3333333 0.5773503 0.1114022), wk = 0.0022727 k( 420) = ( 0.3333333 0.5773503 0.1206857), wk = 0.0022727 k( 421) = ( 0.3333333 0.5773503 0.1299692), wk = 0.0022727 k( 422) = ( 0.3333333 0.5773503 0.1392527), wk = 0.0022727 k( 423) = ( 0.3333333 0.5773503 0.1485363), wk = 0.0022727 k( 424) = ( 0.3333333 0.5773503 0.1578198), wk = 0.0022727 k( 425) = ( 0.3333333 0.5773503 0.1671033), wk = 0.0022727 k( 426) = ( 0.3333333 0.5773503 0.1763868), wk = 0.0022727 k( 427) = ( 0.3333333 0.5773503 0.1856703), wk = 0.0022727 k( 428) = ( 0.3333333 0.5773503 0.1949538), wk = 0.0022727 k( 429) = ( 0.3333333 0.5773503 0.2042373), wk = 0.0022727 k( 430) = ( 0.3333333 0.5773503 0.2135209), wk = 0.0022727 k( 431) = ( 0.3333333 0.5773503 0.2228044), wk = 0.0022727 k( 432) = ( 0.3333333 0.5773503 0.2320879), wk = 0.0022727 k( 433) = ( 0.3333333 0.5773503 0.2413714), wk = 0.0022727 k( 434) = ( 0.3333333 0.5773503 0.2506549), wk = 0.0022727 k( 435) = ( 0.3333333 0.5773503 0.2599384), wk = 0.0022727 k( 436) = ( 0.3333333 0.5773503 0.2692220), wk = 0.0022727 k( 437) = ( 0.3333333 0.5773503 0.2785055), wk = 0.0022727 k( 438) = ( 0.3333333 0.5773503 0.2877890), wk = 0.0022727 k( 439) = ( 0.3333333 0.5773503 0.2970725), wk = 0.0022727 k( 440) = ( 0.3333333 0.5773503 0.3063560), wk = 0.0022727 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0081967 0.0000000 -0.0000000), wk = 0.0022727 k( 3) = ( 0.0163934 0.0000000 -0.0000000), wk = 0.0022727 k( 4) = ( 0.0245902 0.0000000 -0.0000000), wk = 0.0022727 k( 5) = ( 0.0327869 0.0000000 -0.0000000), wk = 0.0022727 k( 6) = ( 0.0409836 -0.0000000 -0.0000000), wk = 0.0022727 k( 7) = ( 0.0491803 0.0000000 -0.0000000), wk = 0.0022727 k( 8) = ( 0.0573770 -0.0000000 0.0000000), wk = 0.0022727 k( 9) = ( 0.0655738 0.0000000 -0.0000000), wk = 0.0022727 k( 10) = ( 0.0737705 -0.0000000 0.0000000), wk = 0.0022727 k( 11) = ( 0.0819672 -0.0000000 -0.0000000), wk = 0.0022727 k( 12) = ( 0.0901639 -0.0000000 -0.0000000), wk = 0.0022727 k( 13) = ( 0.0983607 0.0000000 -0.0000000), wk = 0.0022727 k( 14) = ( 0.1065574 -0.0000000 -0.0000000), wk = 0.0022727 k( 15) = ( 0.1147541 -0.0000000 0.0000000), wk = 0.0022727 k( 16) = ( 0.1229508 0.0000000 0.0000000), wk = 0.0022727 k( 17) = ( 0.1311475 0.0000000 -0.0000000), wk = 0.0022727 k( 18) = ( 0.1393443 0.0000000 0.0000000), wk = 0.0022727 k( 19) = ( 0.1475410 -0.0000000 0.0000000), wk = 0.0022727 k( 20) = ( 0.1557377 -0.0000000 -0.0000000), wk = 0.0022727 k( 21) = ( 0.1639344 -0.0000000 -0.0000000), wk = 0.0022727 k( 22) = ( 0.1721312 -0.0000000 -0.0000000), wk = 0.0022727 k( 23) = ( 0.1803279 -0.0000000 -0.0000000), wk = 0.0022727 k( 24) = ( 0.1885246 0.0000000 -0.0000000), wk = 0.0022727 k( 25) = ( 0.1967213 0.0000000 0.0000000), wk = 0.0022727 k( 26) = ( 0.2049180 -0.0000000 -0.0000000), wk = 0.0022727 k( 27) = ( 0.2131147 -0.0000000 0.0000000), wk = 0.0022727 k( 28) = ( 0.2213115 0.0000000 -0.0000000), wk = 0.0022727 k( 29) = ( 0.2295082 -0.0000000 0.0000000), wk = 0.0022727 k( 30) = ( 0.2377049 0.0000000 0.0000000), wk = 0.0022727 k( 31) = ( 0.2459016 0.0000000 0.0000000), wk = 0.0022727 k( 32) = ( 0.2540984 0.0000000 -0.0000000), wk = 0.0022727 k( 33) = ( 0.2622951 0.0000000 -0.0000000), wk = 0.0022727 k( 34) = ( 0.2704918 0.0000000 -0.0000000), wk = 0.0022727 k( 35) = ( 0.2786885 0.0000000 0.0000000), wk = 0.0022727 k( 36) = ( 0.2868852 0.0000000 0.0000000), wk = 0.0022727 k( 37) = ( 0.2950820 0.0000000 -0.0000000), wk = 0.0022727 k( 38) = ( 0.3032787 -0.0000000 -0.0000000), wk = 0.0022727 k( 39) = ( 0.3114754 0.0000000 -0.0000000), wk = 0.0022727 k( 40) = ( 0.3196721 -0.0000000 0.0000000), wk = 0.0022727 k( 41) = ( 0.3278688 0.0000000 -0.0000000), wk = 0.0022727 k( 42) = ( 0.3360656 -0.0000000 -0.0000000), wk = 0.0022727 k( 43) = ( 0.3442623 -0.0000000 -0.0000000), wk = 0.0022727 k( 44) = ( 0.3524590 -0.0000000 -0.0000000), wk = 0.0022727 k( 45) = ( 0.3606557 -0.0000000 -0.0000000), wk = 0.0022727 k( 46) = ( 0.3688525 -0.0000000 -0.0000000), wk = 0.0022727 k( 47) = ( 0.3770492 0.0000000 -0.0000000), wk = 0.0022727 k( 48) = ( 0.3852459 0.0000000 -0.0000000), wk = 0.0022727 k( 49) = ( 0.3934426 0.0000000 0.0000000), wk = 0.0022727 k( 50) = ( 0.4016393 0.0000000 -0.0000000), wk = 0.0022727 k( 51) = ( 0.4098361 0.0000000 -0.0000000), wk = 0.0022727 k( 52) = ( 0.4180328 -0.0000000 0.0000000), wk = 0.0022727 k( 53) = ( 0.4262295 0.0000000 -0.0000000), wk = 0.0022727 k( 54) = ( 0.4344262 -0.0000000 -0.0000000), wk = 0.0022727 k( 55) = ( 0.4426230 -0.0000000 -0.0000000), wk = 0.0022727 k( 56) = ( 0.4508197 0.0000000 0.0000000), wk = 0.0022727 k( 57) = ( 0.4590164 -0.0000000 -0.0000000), wk = 0.0022727 k( 58) = ( 0.4672131 -0.0000000 0.0000000), wk = 0.0022727 k( 59) = ( 0.4754098 0.0000000 0.0000000), wk = 0.0022727 k( 60) = ( 0.4836066 0.0000000 0.0000000), wk = 0.0022727 k( 61) = ( 0.4918033 0.0000000 0.0000000), wk = 0.0022727 k( 62) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022727 k( 63) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022727 k( 64) = ( 0.4952381 0.0095238 -0.0000000), wk = 0.0022727 k( 65) = ( 0.4904762 0.0190476 -0.0000000), wk = 0.0022727 k( 66) = ( 0.4857143 0.0285714 -0.0000000), wk = 0.0022727 k( 67) = ( 0.4809524 0.0380952 -0.0000000), wk = 0.0022727 k( 68) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0022727 k( 69) = ( 0.4714286 0.0571429 -0.0000000), wk = 0.0022727 k( 70) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0022727 k( 71) = ( 0.4619048 0.0761905 -0.0000000), wk = 0.0022727 k( 72) = ( 0.4571429 0.0857143 -0.0000000), wk = 0.0022727 k( 73) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0022727 k( 74) = ( 0.4476191 0.1047619 -0.0000000), wk = 0.0022727 k( 75) = ( 0.4428571 0.1142857 -0.0000000), wk = 0.0022727 k( 76) = ( 0.4380952 0.1238095 -0.0000000), wk = 0.0022727 k( 77) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0022727 k( 78) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0022727 k( 79) = ( 0.4238095 0.1523809 -0.0000000), wk = 0.0022727 k( 80) = ( 0.4190476 0.1619048 -0.0000000), wk = 0.0022727 k( 81) = ( 0.4142857 0.1714286 0.0000000), wk = 0.0022727 k( 82) = ( 0.4095238 0.1809524 0.0000000), wk = 0.0022727 k( 83) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0022727 k( 84) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0022727 k( 85) = ( 0.3952381 0.2095238 -0.0000000), wk = 0.0022727 k( 86) = ( 0.3904762 0.2190476 0.0000000), wk = 0.0022727 k( 87) = ( 0.3857143 0.2285714 0.0000000), wk = 0.0022727 k( 88) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0022727 k( 89) = ( 0.3761905 0.2476190 -0.0000000), wk = 0.0022727 k( 90) = ( 0.3714286 0.2571429 -0.0000000), wk = 0.0022727 k( 91) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0022727 k( 92) = ( 0.3619048 0.2761905 -0.0000000), wk = 0.0022727 k( 93) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0022727 k( 94) = ( 0.3523810 0.2952381 -0.0000000), wk = 0.0022727 k( 95) = ( 0.3476190 0.3047619 0.0000000), wk = 0.0022727 k( 96) = ( 0.3428571 0.3142857 -0.0000000), wk = 0.0022727 k( 97) = ( 0.3380952 0.3238095 -0.0000000), wk = 0.0022727 k( 98) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022727 k( 99) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022727 k( 100) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0022727 k( 101) = ( 0.3238095 0.3238095 -0.0000000), wk = 0.0022727 k( 102) = ( 0.3190476 0.3190476 -0.0000000), wk = 0.0022727 k( 103) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0022727 k( 104) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0022727 k( 105) = ( 0.3047619 0.3047619 0.0000000), wk = 0.0022727 k( 106) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0022727 k( 107) = ( 0.2952381 0.2952381 -0.0000000), wk = 0.0022727 k( 108) = ( 0.2904762 0.2904762 0.0000000), wk = 0.0022727 k( 109) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0022727 k( 110) = ( 0.2809524 0.2809524 -0.0000000), wk = 0.0022727 k( 111) = ( 0.2761905 0.2761905 0.0000000), wk = 0.0022727 k( 112) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0022727 k( 113) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0022727 k( 114) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0022727 k( 115) = ( 0.2571429 0.2571429 0.0000000), wk = 0.0022727 k( 116) = ( 0.2523809 0.2523809 -0.0000000), wk = 0.0022727 k( 117) = ( 0.2476191 0.2476190 -0.0000000), wk = 0.0022727 k( 118) = ( 0.2428571 0.2428571 0.0000000), wk = 0.0022727 k( 119) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0022727 k( 120) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0022727 k( 121) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0022727 k( 122) = ( 0.2238095 0.2238095 0.0000000), wk = 0.0022727 k( 123) = ( 0.2190476 0.2190476 -0.0000000), wk = 0.0022727 k( 124) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0022727 k( 125) = ( 0.2095238 0.2095238 0.0000000), wk = 0.0022727 k( 126) = ( 0.2047619 0.2047619 -0.0000000), wk = 0.0022727 k( 127) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0022727 k( 128) = ( 0.1952381 0.1952381 -0.0000000), wk = 0.0022727 k( 129) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0022727 k( 130) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0022727 k( 131) = ( 0.1809524 0.1809524 -0.0000000), wk = 0.0022727 k( 132) = ( 0.1761905 0.1761905 -0.0000000), wk = 0.0022727 k( 133) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0022727 k( 134) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0022727 k( 135) = ( 0.1619048 0.1619048 -0.0000000), wk = 0.0022727 k( 136) = ( 0.1571429 0.1571429 0.0000000), wk = 0.0022727 k( 137) = ( 0.1523809 0.1523809 0.0000000), wk = 0.0022727 k( 138) = ( 0.1476191 0.1476191 -0.0000000), wk = 0.0022727 k( 139) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0022727 k( 140) = ( 0.1380952 0.1380952 0.0000000), wk = 0.0022727 k( 141) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0022727 k( 142) = ( 0.1285714 0.1285714 0.0000000), wk = 0.0022727 k( 143) = ( 0.1238095 0.1238095 -0.0000000), wk = 0.0022727 k( 144) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0022727 k( 145) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0022727 k( 146) = ( 0.1095238 0.1095238 -0.0000000), wk = 0.0022727 k( 147) = ( 0.1047619 0.1047619 -0.0000000), wk = 0.0022727 k( 148) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0022727 k( 149) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0022727 k( 150) = ( 0.0904762 0.0904762 -0.0000000), wk = 0.0022727 k( 151) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0022727 k( 152) = ( 0.0809524 0.0809524 -0.0000000), wk = 0.0022727 k( 153) = ( 0.0761905 0.0761905 -0.0000000), wk = 0.0022727 k( 154) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0022727 k( 155) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0022727 k( 156) = ( 0.0619048 0.0619048 -0.0000000), wk = 0.0022727 k( 157) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0022727 k( 158) = ( 0.0523810 0.0523809 -0.0000000), wk = 0.0022727 k( 159) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0022727 k( 160) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0022727 k( 161) = ( 0.0380952 0.0380952 -0.0000000), wk = 0.0022727 k( 162) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0022727 k( 163) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0022727 k( 164) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0022727 k( 165) = ( 0.0190476 0.0190476 -0.0000000), wk = 0.0022727 k( 166) = ( 0.0142857 0.0142857 -0.0000000), wk = 0.0022727 k( 167) = ( 0.0095238 0.0095238 -0.0000000), wk = 0.0022727 k( 168) = ( 0.0047619 0.0047619 -0.0000000), wk = 0.0022727 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 171) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0022727 k( 172) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0022727 k( 173) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0022727 k( 174) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0022727 k( 175) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0022727 k( 176) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0022727 k( 177) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0022727 k( 178) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0022727 k( 180) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0022727 k( 181) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022727 k( 182) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0022727 k( 183) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0022727 k( 184) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0022727 k( 185) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0022727 k( 188) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0022727 k( 189) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0022727 k( 190) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0022727 k( 191) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0022727 k( 192) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022727 k( 193) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0022727 k( 194) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0022727 k( 195) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0022727 k( 196) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0022727 k( 197) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0022727 k( 198) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0022727 k( 199) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0022727 k( 200) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0022727 k( 201) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0022727 k( 202) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0022727 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 204) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 205) = ( 0.0081967 0.0000000 0.5000000), wk = 0.0022727 k( 206) = ( 0.0163934 0.0000000 0.5000000), wk = 0.0022727 k( 207) = ( 0.0245902 0.0000000 0.5000000), wk = 0.0022727 k( 208) = ( 0.0327869 0.0000000 0.5000000), wk = 0.0022727 k( 209) = ( 0.0409836 -0.0000000 0.5000000), wk = 0.0022727 k( 210) = ( 0.0491803 0.0000000 0.5000000), wk = 0.0022727 k( 211) = ( 0.0573770 -0.0000000 0.5000000), wk = 0.0022727 k( 212) = ( 0.0655738 0.0000000 0.5000000), wk = 0.0022727 k( 213) = ( 0.0737705 -0.0000000 0.5000000), wk = 0.0022727 k( 214) = ( 0.0819672 -0.0000000 0.5000000), wk = 0.0022727 k( 215) = ( 0.0901639 -0.0000000 0.5000000), wk = 0.0022727 k( 216) = ( 0.0983607 0.0000000 0.5000000), wk = 0.0022727 k( 217) = ( 0.1065574 -0.0000000 0.5000000), wk = 0.0022727 k( 218) = ( 0.1147541 -0.0000000 0.5000000), wk = 0.0022727 k( 219) = ( 0.1229508 0.0000000 0.5000000), wk = 0.0022727 k( 220) = ( 0.1311475 0.0000000 0.5000000), wk = 0.0022727 k( 221) = ( 0.1393443 0.0000000 0.5000000), wk = 0.0022727 k( 222) = ( 0.1475410 -0.0000000 0.5000000), wk = 0.0022727 k( 223) = ( 0.1557377 -0.0000000 0.5000000), wk = 0.0022727 k( 224) = ( 0.1639344 -0.0000000 0.5000000), wk = 0.0022727 k( 225) = ( 0.1721312 -0.0000000 0.5000000), wk = 0.0022727 k( 226) = ( 0.1803279 -0.0000000 0.5000000), wk = 0.0022727 k( 227) = ( 0.1885246 0.0000000 0.5000000), wk = 0.0022727 k( 228) = ( 0.1967213 0.0000000 0.5000000), wk = 0.0022727 k( 229) = ( 0.2049180 -0.0000000 0.5000000), wk = 0.0022727 k( 230) = ( 0.2131147 -0.0000000 0.5000000), wk = 0.0022727 k( 231) = ( 0.2213115 0.0000000 0.5000000), wk = 0.0022727 k( 232) = ( 0.2295082 -0.0000000 0.5000000), wk = 0.0022727 k( 233) = ( 0.2377049 0.0000000 0.5000000), wk = 0.0022727 k( 234) = ( 0.2459016 0.0000000 0.5000000), wk = 0.0022727 k( 235) = ( 0.2540984 0.0000000 0.5000000), wk = 0.0022727 k( 236) = ( 0.2622951 0.0000000 0.5000000), wk = 0.0022727 k( 237) = ( 0.2704918 0.0000000 0.5000000), wk = 0.0022727 k( 238) = ( 0.2786885 0.0000000 0.5000000), wk = 0.0022727 k( 239) = ( 0.2868852 0.0000000 0.5000000), wk = 0.0022727 k( 240) = ( 0.2950820 0.0000000 0.5000000), wk = 0.0022727 k( 241) = ( 0.3032787 -0.0000000 0.5000000), wk = 0.0022727 k( 242) = ( 0.3114754 0.0000000 0.5000000), wk = 0.0022727 k( 243) = ( 0.3196721 -0.0000000 0.5000000), wk = 0.0022727 k( 244) = ( 0.3278688 0.0000000 0.5000000), wk = 0.0022727 k( 245) = ( 0.3360656 -0.0000000 0.5000000), wk = 0.0022727 k( 246) = ( 0.3442623 -0.0000000 0.5000000), wk = 0.0022727 k( 247) = ( 0.3524590 -0.0000000 0.5000000), wk = 0.0022727 k( 248) = ( 0.3606557 -0.0000000 0.5000000), wk = 0.0022727 k( 249) = ( 0.3688525 -0.0000000 0.5000000), wk = 0.0022727 k( 250) = ( 0.3770492 0.0000000 0.5000000), wk = 0.0022727 k( 251) = ( 0.3852459 0.0000000 0.5000000), wk = 0.0022727 k( 252) = ( 0.3934426 0.0000000 0.5000000), wk = 0.0022727 k( 253) = ( 0.4016393 0.0000000 0.5000000), wk = 0.0022727 k( 254) = ( 0.4098361 0.0000000 0.5000000), wk = 0.0022727 k( 255) = ( 0.4180328 -0.0000000 0.5000000), wk = 0.0022727 k( 256) = ( 0.4262295 0.0000000 0.5000000), wk = 0.0022727 k( 257) = ( 0.4344262 -0.0000000 0.5000000), wk = 0.0022727 k( 258) = ( 0.4426230 -0.0000000 0.5000000), wk = 0.0022727 k( 259) = ( 0.4508197 0.0000000 0.5000000), wk = 0.0022727 k( 260) = ( 0.4590164 -0.0000000 0.5000000), wk = 0.0022727 k( 261) = ( 0.4672131 -0.0000000 0.5000000), wk = 0.0022727 k( 262) = ( 0.4754098 0.0000000 0.5000000), wk = 0.0022727 k( 263) = ( 0.4836066 0.0000000 0.5000000), wk = 0.0022727 k( 264) = ( 0.4918033 0.0000000 0.5000000), wk = 0.0022727 k( 265) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 266) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 267) = ( 0.4952381 0.0095238 0.5000000), wk = 0.0022727 k( 268) = ( 0.4904762 0.0190476 0.5000000), wk = 0.0022727 k( 269) = ( 0.4857143 0.0285714 0.5000000), wk = 0.0022727 k( 270) = ( 0.4809524 0.0380952 0.5000000), wk = 0.0022727 k( 271) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0022727 k( 272) = ( 0.4714286 0.0571429 0.5000000), wk = 0.0022727 k( 273) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0022727 k( 274) = ( 0.4619048 0.0761905 0.5000000), wk = 0.0022727 k( 275) = ( 0.4571429 0.0857143 0.5000000), wk = 0.0022727 k( 276) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0022727 k( 277) = ( 0.4476191 0.1047619 0.5000000), wk = 0.0022727 k( 278) = ( 0.4428571 0.1142857 0.5000000), wk = 0.0022727 k( 279) = ( 0.4380952 0.1238095 0.5000000), wk = 0.0022727 k( 280) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0022727 k( 281) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0022727 k( 282) = ( 0.4238095 0.1523809 0.5000000), wk = 0.0022727 k( 283) = ( 0.4190476 0.1619048 0.5000000), wk = 0.0022727 k( 284) = ( 0.4142857 0.1714286 0.5000000), wk = 0.0022727 k( 285) = ( 0.4095238 0.1809524 0.5000000), wk = 0.0022727 k( 286) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0022727 k( 287) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0022727 k( 288) = ( 0.3952381 0.2095238 0.5000000), wk = 0.0022727 k( 289) = ( 0.3904762 0.2190476 0.5000000), wk = 0.0022727 k( 290) = ( 0.3857143 0.2285714 0.5000000), wk = 0.0022727 k( 291) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0022727 k( 292) = ( 0.3761905 0.2476190 0.5000000), wk = 0.0022727 k( 293) = ( 0.3714286 0.2571429 0.5000000), wk = 0.0022727 k( 294) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0022727 k( 295) = ( 0.3619048 0.2761905 0.5000000), wk = 0.0022727 k( 296) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0022727 k( 297) = ( 0.3523810 0.2952381 0.5000000), wk = 0.0022727 k( 298) = ( 0.3476190 0.3047619 0.5000000), wk = 0.0022727 k( 299) = ( 0.3428571 0.3142857 0.5000000), wk = 0.0022727 k( 300) = ( 0.3380952 0.3238095 0.5000000), wk = 0.0022727 k( 301) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022727 k( 302) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022727 k( 303) = ( 0.3285714 0.3285714 0.5000000), wk = 0.0022727 k( 304) = ( 0.3238095 0.3238095 0.5000000), wk = 0.0022727 k( 305) = ( 0.3190476 0.3190476 0.5000000), wk = 0.0022727 k( 306) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0022727 k( 307) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0022727 k( 308) = ( 0.3047619 0.3047619 0.5000000), wk = 0.0022727 k( 309) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0022727 k( 310) = ( 0.2952381 0.2952381 0.5000000), wk = 0.0022727 k( 311) = ( 0.2904762 0.2904762 0.5000000), wk = 0.0022727 k( 312) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0022727 k( 313) = ( 0.2809524 0.2809524 0.5000000), wk = 0.0022727 k( 314) = ( 0.2761905 0.2761905 0.5000000), wk = 0.0022727 k( 315) = ( 0.2714286 0.2714286 0.5000000), wk = 0.0022727 k( 316) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0022727 k( 317) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0022727 k( 318) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0022727 k( 319) = ( 0.2523809 0.2523809 0.5000000), wk = 0.0022727 k( 320) = ( 0.2476191 0.2476190 0.5000000), wk = 0.0022727 k( 321) = ( 0.2428571 0.2428571 0.5000000), wk = 0.0022727 k( 322) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0022727 k( 323) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0022727 k( 324) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0022727 k( 325) = ( 0.2238095 0.2238095 0.5000000), wk = 0.0022727 k( 326) = ( 0.2190476 0.2190476 0.5000000), wk = 0.0022727 k( 327) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0022727 k( 328) = ( 0.2095238 0.2095238 0.5000000), wk = 0.0022727 k( 329) = ( 0.2047619 0.2047619 0.5000000), wk = 0.0022727 k( 330) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0022727 k( 331) = ( 0.1952381 0.1952381 0.5000000), wk = 0.0022727 k( 332) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0022727 k( 333) = ( 0.1857143 0.1857143 0.5000000), wk = 0.0022727 k( 334) = ( 0.1809524 0.1809524 0.5000000), wk = 0.0022727 k( 335) = ( 0.1761905 0.1761905 0.5000000), wk = 0.0022727 k( 336) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0022727 k( 337) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0022727 k( 338) = ( 0.1619048 0.1619048 0.5000000), wk = 0.0022727 k( 339) = ( 0.1571429 0.1571429 0.5000000), wk = 0.0022727 k( 340) = ( 0.1523809 0.1523809 0.5000000), wk = 0.0022727 k( 341) = ( 0.1476191 0.1476191 0.5000000), wk = 0.0022727 k( 342) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0022727 k( 343) = ( 0.1380952 0.1380952 0.5000000), wk = 0.0022727 k( 344) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0022727 k( 345) = ( 0.1285714 0.1285714 0.5000000), wk = 0.0022727 k( 346) = ( 0.1238095 0.1238095 0.5000000), wk = 0.0022727 k( 347) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0022727 k( 348) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0022727 k( 349) = ( 0.1095238 0.1095238 0.5000000), wk = 0.0022727 k( 350) = ( 0.1047619 0.1047619 0.5000000), wk = 0.0022727 k( 351) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0022727 k( 352) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0022727 k( 353) = ( 0.0904762 0.0904762 0.5000000), wk = 0.0022727 k( 354) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0022727 k( 355) = ( 0.0809524 0.0809524 0.5000000), wk = 0.0022727 k( 356) = ( 0.0761905 0.0761905 0.5000000), wk = 0.0022727 k( 357) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0022727 k( 358) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0022727 k( 359) = ( 0.0619048 0.0619048 0.5000000), wk = 0.0022727 k( 360) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0022727 k( 361) = ( 0.0523810 0.0523809 0.5000000), wk = 0.0022727 k( 362) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0022727 k( 363) = ( 0.0428571 0.0428571 0.5000000), wk = 0.0022727 k( 364) = ( 0.0380952 0.0380952 0.5000000), wk = 0.0022727 k( 365) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0022727 k( 366) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0022727 k( 367) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0022727 k( 368) = ( 0.0190476 0.0190476 0.5000000), wk = 0.0022727 k( 369) = ( 0.0142857 0.0142857 0.5000000), wk = 0.0022727 k( 370) = ( 0.0095238 0.0095238 0.5000000), wk = 0.0022727 k( 371) = ( 0.0047619 0.0047619 0.5000000), wk = 0.0022727 k( 372) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 373) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 374) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0022727 k( 375) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0022727 k( 376) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0022727 k( 377) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0022727 k( 378) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0022727 k( 379) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0022727 k( 380) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0022727 k( 381) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0022727 k( 382) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0022727 k( 383) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0022727 k( 384) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0022727 k( 385) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0022727 k( 386) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0022727 k( 387) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0022727 k( 388) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0022727 k( 389) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0022727 k( 390) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0022727 k( 391) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0022727 k( 392) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0022727 k( 393) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0022727 k( 394) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0022727 k( 395) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0022727 k( 396) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0022727 k( 397) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0022727 k( 398) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0022727 k( 399) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0022727 k( 400) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0022727 k( 401) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0022727 k( 402) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0022727 k( 403) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0022727 k( 404) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0022727 k( 405) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0022727 k( 406) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022727 k( 407) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022727 k( 408) = ( 0.3333333 0.3333333 0.0151515), wk = 0.0022727 k( 409) = ( 0.3333333 0.3333333 0.0303030), wk = 0.0022727 k( 410) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0022727 k( 411) = ( 0.3333333 0.3333333 0.0606061), wk = 0.0022727 k( 412) = ( 0.3333333 0.3333333 0.0757576), wk = 0.0022727 k( 413) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0022727 k( 414) = ( 0.3333333 0.3333333 0.1060606), wk = 0.0022727 k( 415) = ( 0.3333333 0.3333333 0.1212121), wk = 0.0022727 k( 416) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0022727 k( 417) = ( 0.3333333 0.3333333 0.1515151), wk = 0.0022727 k( 418) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0022727 k( 419) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0022727 k( 420) = ( 0.3333333 0.3333333 0.1969697), wk = 0.0022727 k( 421) = ( 0.3333333 0.3333333 0.2121212), wk = 0.0022727 k( 422) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0022727 k( 423) = ( 0.3333333 0.3333333 0.2424242), wk = 0.0022727 k( 424) = ( 0.3333333 0.3333333 0.2575758), wk = 0.0022727 k( 425) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0022727 k( 426) = ( 0.3333333 0.3333333 0.2878788), wk = 0.0022727 k( 427) = ( 0.3333333 0.3333333 0.3030303), wk = 0.0022727 k( 428) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0022727 k( 429) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0022727 k( 430) = ( 0.3333333 0.3333333 0.3484849), wk = 0.0022727 k( 431) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0022727 k( 432) = ( 0.3333333 0.3333333 0.3787879), wk = 0.0022727 k( 433) = ( 0.3333333 0.3333333 0.3939394), wk = 0.0022727 k( 434) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0022727 k( 435) = ( 0.3333333 0.3333333 0.4242424), wk = 0.0022727 k( 436) = ( 0.3333333 0.3333333 0.4393939), wk = 0.0022727 k( 437) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0022727 k( 438) = ( 0.3333333 0.3333333 0.4696970), wk = 0.0022727 k( 439) = ( 0.3333333 0.3333333 0.4848485), wk = 0.0022727 k( 440) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022727 Dense grid: 14401 G-vectors FFT dimensions: ( 27, 27, 45) Smooth grid: 10827 G-vectors FFT dimensions: ( 25, 25, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 88, 12) NL pseudopotentials 0.01 Mb ( 44, 8) Each V/rho on FFT grid 0.02 Mb ( 1458) Each G-vector array 0.00 Mb ( 400) G-vector shells 0.00 Mb ( 207) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 88, 48) Each subspace H/S matrix 0.00 Mb ( 12, 12) Each matrix 0.00 Mb ( 8, 2, 12) The potential is recalculated from file : ./H2.save/charge-density.dat Starting wfc are 8 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 0.5 secs Computing kpt #: 2 total cpu time spent up to now is 0.6 secs Computing kpt #: 3 total cpu time spent up to now is 0.6 secs Computing kpt #: 4 total cpu time spent up to now is 0.6 secs Computing kpt #: 5 total cpu time spent up to now is 0.7 secs Computing kpt #: 6 total cpu time spent up to now is 0.7 secs Computing kpt #: 7 total cpu time spent up to now is 0.7 secs Computing kpt #: 8 total cpu time spent up to now is 0.8 secs Computing kpt #: 9 total cpu time spent up to now is 0.8 secs Computing kpt #: 10 total cpu time spent up to now is 0.8 secs Computing kpt #: 11 total cpu time spent up to now is 0.9 secs Computing kpt #: 12 total cpu time spent up to now is 0.9 secs Computing kpt #: 13 total cpu time spent up to now is 0.9 secs Computing kpt #: 14 total cpu time spent up to now is 1.0 secs Computing kpt #: 15 total cpu time spent up to now is 1.0 secs Computing kpt #: 16 total cpu time spent up to now is 1.0 secs Computing kpt #: 17 total cpu time spent up to now is 1.1 secs Computing kpt #: 18 total cpu time spent up to now is 1.1 secs Computing kpt #: 19 total cpu time spent up to now is 1.2 secs Computing kpt #: 20 total cpu time spent up to now is 1.2 secs Computing kpt #: 21 total cpu time spent up to now is 1.2 secs Computing kpt #: 22 total cpu time spent up to now is 1.3 secs Computing kpt #: 23 total cpu time spent up to now is 1.3 secs Computing kpt #: 24 total cpu time spent up to now is 1.3 secs Computing kpt #: 25 total cpu time spent up to now is 1.4 secs Computing kpt #: 26 total cpu time spent up to now is 1.4 secs Computing kpt #: 27 total cpu time spent up to now is 1.4 secs Computing kpt #: 28 total cpu time spent up to now is 1.5 secs Computing kpt #: 29 total cpu time spent up to now is 1.5 secs Computing kpt #: 30 total cpu time spent up to now is 1.5 secs Computing kpt #: 31 total cpu time spent up to now is 1.6 secs Computing kpt #: 32 total cpu time spent up to now is 1.6 secs Computing kpt #: 33 total cpu time spent up to now is 1.6 secs Computing kpt #: 34 total cpu time spent up to now is 1.7 secs Computing kpt #: 35 total cpu time spent up to now is 1.7 secs Computing kpt #: 36 total cpu time spent up to now is 1.8 secs Computing kpt #: 37 total cpu time spent up to now is 1.8 secs Computing kpt #: 38 total cpu time spent up to now is 1.8 secs Computing kpt #: 39 total cpu time spent up to now is 1.9 secs Computing kpt #: 40 total cpu time spent up to now is 1.9 secs Computing kpt #: 41 total cpu time spent up to now is 1.9 secs Computing kpt #: 42 total cpu time spent up to now is 2.0 secs Computing kpt #: 43 total cpu time spent up to now is 2.0 secs Computing kpt #: 44 total cpu time spent up to now is 2.0 secs Computing kpt #: 45 total cpu time spent up to now is 2.1 secs Computing kpt #: 46 total cpu time spent up to now is 2.1 secs Computing kpt #: 47 total cpu time spent up to now is 2.2 secs Computing kpt #: 48 total cpu time spent up to now is 2.2 secs Computing kpt #: 49 total cpu time spent up to now is 2.2 secs Computing kpt #: 50 total cpu time spent up to now is 2.3 secs Computing kpt #: 51 total cpu time spent up to now is 2.3 secs Computing kpt #: 52 total cpu time spent up to now is 2.4 secs Computing kpt #: 53 total cpu time spent up to now is 2.4 secs Computing kpt #: 54 total cpu time spent up to now is 2.4 secs Computing kpt #: 55 total cpu time spent up to now is 2.5 secs Computing kpt #: 56 total cpu time spent up to now is 2.5 secs Computing kpt #: 57 total cpu time spent up to now is 2.5 secs Computing kpt #: 58 total cpu time spent up to now is 2.6 secs Computing kpt #: 59 total cpu time spent up to now is 2.6 secs Computing kpt #: 60 total cpu time spent up to now is 2.7 secs Computing kpt #: 61 total cpu time spent up to now is 2.7 secs Computing kpt #: 62 total cpu time spent up to now is 2.7 secs Computing kpt #: 63 total cpu time spent up to now is 2.8 secs Computing kpt #: 64 total cpu time spent up to now is 2.8 secs Computing kpt #: 65 total cpu time spent up to now is 2.8 secs Computing kpt #: 66 total cpu time spent up to now is 2.9 secs Computing kpt #: 67 total cpu time spent up to now is 2.9 secs Computing kpt #: 68 total cpu time spent up to now is 3.0 secs Computing kpt #: 69 total cpu time spent up to now is 3.0 secs Computing kpt #: 70 total cpu time spent up to now is 3.0 secs Computing kpt #: 71 total cpu time spent up to now is 3.1 secs Computing kpt #: 72 total cpu time spent up to now is 3.1 secs Computing kpt #: 73 total cpu time spent up to now is 3.1 secs Computing kpt #: 74 total cpu time spent up to now is 3.2 secs Computing kpt #: 75 total cpu time spent up to now is 3.2 secs Computing kpt #: 76 total cpu time spent up to now is 3.3 secs Computing kpt #: 77 total cpu time spent up to now is 3.3 secs Computing kpt #: 78 total cpu time spent up to now is 3.3 secs Computing kpt #: 79 total cpu time spent up to now is 3.4 secs Computing kpt #: 80 total cpu time spent up to now is 3.4 secs Computing kpt #: 81 total cpu time spent up to now is 3.5 secs Computing kpt #: 82 total cpu time spent up to now is 3.5 secs Computing kpt #: 83 total cpu time spent up to now is 3.5 secs Computing kpt #: 84 total cpu time spent up to now is 3.6 secs Computing kpt #: 85 total cpu time spent up to now is 3.6 secs Computing kpt #: 86 total cpu time spent up to now is 3.7 secs Computing kpt #: 87 total cpu time spent up to now is 3.7 secs Computing kpt #: 88 total cpu time spent up to now is 3.7 secs Computing kpt #: 89 total cpu time spent up to now is 3.8 secs Computing kpt #: 90 total cpu time spent up to now is 3.8 secs Computing kpt #: 91 total cpu time spent up to now is 3.9 secs Computing kpt #: 92 total cpu time spent up to now is 3.9 secs Computing kpt #: 93 total cpu time spent up to now is 4.0 secs Computing kpt #: 94 total cpu time spent up to now is 4.0 secs Computing kpt #: 95 total cpu time spent up to now is 4.0 secs Computing kpt #: 96 total cpu time spent up to now is 4.1 secs Computing kpt #: 97 total cpu time spent up to now is 4.1 secs Computing kpt #: 98 total cpu time spent up to now is 4.2 secs Computing kpt #: 99 total cpu time spent up to now is 4.2 secs Computing kpt #: 100 total cpu time spent up to now is 4.2 secs Computing kpt #: 101 total cpu time spent up to now is 4.3 secs Computing kpt #: 102 total cpu time spent up to now is 4.3 secs Computing kpt #: 103 total cpu time spent up to now is 4.4 secs Computing kpt #: 104 total cpu time spent up to now is 4.4 secs Computing kpt #: 105 total cpu time spent up to now is 4.4 secs Computing kpt #: 106 total cpu time spent up to now is 4.5 secs Computing kpt #: 107 total cpu time spent up to now is 4.5 secs Computing kpt #: 108 total cpu time spent up to now is 4.6 secs Computing kpt #: 109 total cpu time spent up to now is 4.6 secs Computing kpt #: 110 total cpu time spent up to now is 4.6 secs Computing kpt #: 111 total cpu time spent up to now is 4.7 secs Computing kpt #: 112 total cpu time spent up to now is 4.7 secs Computing kpt #: 113 total cpu time spent up to now is 4.8 secs Computing kpt #: 114 total cpu time spent up to now is 4.8 secs Computing kpt #: 115 total cpu time spent up to now is 4.8 secs Computing kpt #: 116 total cpu time spent up to now is 4.9 secs Computing kpt #: 117 total cpu time spent up to now is 4.9 secs Computing kpt #: 118 total cpu time spent up to now is 4.9 secs Computing kpt #: 119 total cpu time spent up to now is 5.0 secs Computing kpt #: 120 total cpu time spent up to now is 5.0 secs Computing kpt #: 121 total cpu time spent up to now is 5.1 secs Computing kpt #: 122 total cpu time spent up to now is 5.1 secs Computing kpt #: 123 total cpu time spent up to now is 5.1 secs Computing kpt #: 124 total cpu time spent up to now is 5.2 secs Computing kpt #: 125 total cpu time spent up to now is 5.2 secs Computing kpt #: 126 total cpu time spent up to now is 5.2 secs Computing kpt #: 127 total cpu time spent up to now is 5.3 secs Computing kpt #: 128 total cpu time spent up to now is 5.3 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 5.4 secs Computing kpt #: 131 total cpu time spent up to now is 5.4 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 5.5 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 5.6 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 6.0 secs Computing kpt #: 147 total cpu time spent up to now is 6.0 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 6.1 secs Computing kpt #: 150 total cpu time spent up to now is 6.1 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 6.2 secs Computing kpt #: 153 total cpu time spent up to now is 6.2 secs Computing kpt #: 154 total cpu time spent up to now is 6.4 secs Computing kpt #: 155 total cpu time spent up to now is 6.4 secs Computing kpt #: 156 total cpu time spent up to now is 6.5 secs Computing kpt #: 157 total cpu time spent up to now is 6.5 secs Computing kpt #: 158 total cpu time spent up to now is 6.5 secs Computing kpt #: 159 total cpu time spent up to now is 6.6 secs Computing kpt #: 160 total cpu time spent up to now is 6.6 secs Computing kpt #: 161 total cpu time spent up to now is 6.6 secs Computing kpt #: 162 total cpu time spent up to now is 6.7 secs Computing kpt #: 163 total cpu time spent up to now is 6.7 secs Computing kpt #: 164 total cpu time spent up to now is 6.8 secs Computing kpt #: 165 total cpu time spent up to now is 6.8 secs Computing kpt #: 166 total cpu time spent up to now is 6.8 secs Computing kpt #: 167 total cpu time spent up to now is 6.9 secs Computing kpt #: 168 total cpu time spent up to now is 6.9 secs Computing kpt #: 169 total cpu time spent up to now is 6.9 secs Computing kpt #: 170 total cpu time spent up to now is 7.0 secs Computing kpt #: 171 total cpu time spent up to now is 7.0 secs Computing kpt #: 172 total cpu time spent up to now is 7.0 secs Computing kpt #: 173 total cpu time spent up to now is 7.1 secs Computing kpt #: 174 total cpu time spent up to now is 7.1 secs Computing kpt #: 175 total cpu time spent up to now is 7.2 secs Computing kpt #: 176 total cpu time spent up to now is 7.2 secs Computing kpt #: 177 total cpu time spent up to now is 7.2 secs Computing kpt #: 178 total cpu time spent up to now is 7.3 secs Computing kpt #: 179 total cpu time spent up to now is 7.3 secs Computing kpt #: 180 total cpu time spent up to now is 7.3 secs Computing kpt #: 181 total cpu time spent up to now is 7.4 secs Computing kpt #: 182 total cpu time spent up to now is 7.4 secs Computing kpt #: 183 total cpu time spent up to now is 7.4 secs Computing kpt #: 184 total cpu time spent up to now is 7.5 secs Computing kpt #: 185 total cpu time spent up to now is 7.5 secs Computing kpt #: 186 total cpu time spent up to now is 7.5 secs Computing kpt #: 187 total cpu time spent up to now is 7.6 secs Computing kpt #: 188 total cpu time spent up to now is 7.6 secs Computing kpt #: 189 total cpu time spent up to now is 7.6 secs Computing kpt #: 190 total cpu time spent up to now is 7.7 secs Computing kpt #: 191 total cpu time spent up to now is 7.7 secs Computing kpt #: 192 total cpu time spent up to now is 7.7 secs Computing kpt #: 193 total cpu time spent up to now is 7.8 secs Computing kpt #: 194 total cpu time spent up to now is 7.8 secs Computing kpt #: 195 total cpu time spent up to now is 7.8 secs Computing kpt #: 196 total cpu time spent up to now is 7.9 secs Computing kpt #: 197 total cpu time spent up to now is 7.9 secs Computing kpt #: 198 total cpu time spent up to now is 7.9 secs Computing kpt #: 199 total cpu time spent up to now is 8.0 secs Computing kpt #: 200 total cpu time spent up to now is 8.0 secs Computing kpt #: 201 total cpu time spent up to now is 8.0 secs Computing kpt #: 202 total cpu time spent up to now is 8.1 secs Computing kpt #: 203 total cpu time spent up to now is 8.1 secs Computing kpt #: 204 total cpu time spent up to now is 8.1 secs Computing kpt #: 205 total cpu time spent up to now is 8.2 secs Computing kpt #: 206 total cpu time spent up to now is 8.2 secs Computing kpt #: 207 total cpu time spent up to now is 8.2 secs Computing kpt #: 208 total cpu time spent up to now is 8.3 secs Computing kpt #: 209 total cpu time spent up to now is 8.3 secs Computing kpt #: 210 total cpu time spent up to now is 8.4 secs Computing kpt #: 211 total cpu time spent up to now is 8.4 secs Computing kpt #: 212 total cpu time spent up to now is 8.4 secs Computing kpt #: 213 total cpu time spent up to now is 8.5 secs Computing kpt #: 214 total cpu time spent up to now is 8.5 secs Computing kpt #: 215 total cpu time spent up to now is 8.5 secs Computing kpt #: 216 total cpu time spent up to now is 8.6 secs Computing kpt #: 217 total cpu time spent up to now is 8.6 secs Computing kpt #: 218 total cpu time spent up to now is 8.7 secs Computing kpt #: 219 total cpu time spent up to now is 8.7 secs Computing kpt #: 220 total cpu time spent up to now is 8.7 secs Computing kpt #: 221 total cpu time spent up to now is 8.8 secs Computing kpt #: 222 total cpu time spent up to now is 8.8 secs Computing kpt #: 223 total cpu time spent up to now is 8.8 secs Computing kpt #: 224 total cpu time spent up to now is 8.9 secs Computing kpt #: 225 total cpu time spent up to now is 8.9 secs Computing kpt #: 226 total cpu time spent up to now is 9.0 secs Computing kpt #: 227 total cpu time spent up to now is 9.0 secs Computing kpt #: 228 total cpu time spent up to now is 9.0 secs Computing kpt #: 229 total cpu time spent up to now is 9.1 secs Computing kpt #: 230 total cpu time spent up to now is 9.1 secs Computing kpt #: 231 total cpu time spent up to now is 9.1 secs Computing kpt #: 232 total cpu time spent up to now is 9.2 secs Computing kpt #: 233 total cpu time spent up to now is 9.2 secs Computing kpt #: 234 total cpu time spent up to now is 9.3 secs Computing kpt #: 235 total cpu time spent up to now is 9.3 secs Computing kpt #: 236 total cpu time spent up to now is 9.3 secs Computing kpt #: 237 total cpu time spent up to now is 9.4 secs Computing kpt #: 238 total cpu time spent up to now is 9.4 secs Computing kpt #: 239 total cpu time spent up to now is 9.4 secs Computing kpt #: 240 total cpu time spent up to now is 9.5 secs Computing kpt #: 241 total cpu time spent up to now is 9.5 secs Computing kpt #: 242 total cpu time spent up to now is 9.6 secs Computing kpt #: 243 total cpu time spent up to now is 9.6 secs Computing kpt #: 244 total cpu time spent up to now is 9.6 secs Computing kpt #: 245 total cpu time spent up to now is 9.7 secs Computing kpt #: 246 total cpu time spent up to now is 9.7 secs Computing kpt #: 247 total cpu time spent up to now is 9.7 secs Computing kpt #: 248 total cpu time spent up to now is 9.8 secs Computing kpt #: 249 total cpu time spent up to now is 9.8 secs Computing kpt #: 250 total cpu time spent up to now is 9.8 secs Computing kpt #: 251 total cpu time spent up to now is 9.9 secs Computing kpt #: 252 total cpu time spent up to now is 9.9 secs Computing kpt #: 253 total cpu time spent up to now is 9.9 secs Computing kpt #: 254 total cpu time spent up to now is 10.0 secs Computing kpt #: 255 total cpu time spent up to now is 10.0 secs Computing kpt #: 256 total cpu time spent up to now is 10.0 secs Computing kpt #: 257 total cpu time spent up to now is 10.1 secs Computing kpt #: 258 total cpu time spent up to now is 10.1 secs Computing kpt #: 259 total cpu time spent up to now is 10.1 secs Computing kpt #: 260 total cpu time spent up to now is 10.2 secs Computing kpt #: 261 total cpu time spent up to now is 10.2 secs Computing kpt #: 262 total cpu time spent up to now is 10.2 secs Computing kpt #: 263 total cpu time spent up to now is 10.3 secs Computing kpt #: 264 total cpu time spent up to now is 10.3 secs Computing kpt #: 265 total cpu time spent up to now is 10.3 secs Computing kpt #: 266 total cpu time spent up to now is 10.4 secs Computing kpt #: 267 total cpu time spent up to now is 10.4 secs Computing kpt #: 268 total cpu time spent up to now is 10.4 secs Computing kpt #: 269 total cpu time spent up to now is 10.5 secs Computing kpt #: 270 total cpu time spent up to now is 10.5 secs Computing kpt #: 271 total cpu time spent up to now is 10.5 secs Computing kpt #: 272 total cpu time spent up to now is 10.6 secs Computing kpt #: 273 total cpu time spent up to now is 10.6 secs Computing kpt #: 274 total cpu time spent up to now is 10.7 secs Computing kpt #: 275 total cpu time spent up to now is 10.7 secs Computing kpt #: 276 total cpu time spent up to now is 10.7 secs Computing kpt #: 277 total cpu time spent up to now is 10.8 secs Computing kpt #: 278 total cpu time spent up to now is 10.8 secs Computing kpt #: 279 total cpu time spent up to now is 10.8 secs Computing kpt #: 280 total cpu time spent up to now is 10.9 secs Computing kpt #: 281 total cpu time spent up to now is 10.9 secs Computing kpt #: 282 total cpu time spent up to now is 11.0 secs Computing kpt #: 283 total cpu time spent up to now is 11.0 secs Computing kpt #: 284 total cpu time spent up to now is 11.0 secs Computing kpt #: 285 total cpu time spent up to now is 11.1 secs Computing kpt #: 286 total cpu time spent up to now is 11.1 secs Computing kpt #: 287 total cpu time spent up to now is 11.2 secs Computing kpt #: 288 total cpu time spent up to now is 11.2 secs Computing kpt #: 289 total cpu time spent up to now is 11.2 secs Computing kpt #: 290 total cpu time spent up to now is 11.3 secs Computing kpt #: 291 total cpu time spent up to now is 11.3 secs Computing kpt #: 292 total cpu time spent up to now is 11.4 secs Computing kpt #: 293 total cpu time spent up to now is 11.4 secs Computing kpt #: 294 total cpu time spent up to now is 11.4 secs Computing kpt #: 295 total cpu time spent up to now is 11.5 secs Computing kpt #: 296 total cpu time spent up to now is 11.5 secs Computing kpt #: 297 total cpu time spent up to now is 11.6 secs Computing kpt #: 298 total cpu time spent up to now is 11.6 secs Computing kpt #: 299 total cpu time spent up to now is 11.6 secs Computing kpt #: 300 total cpu time spent up to now is 11.7 secs Computing kpt #: 301 total cpu time spent up to now is 11.7 secs Computing kpt #: 302 total cpu time spent up to now is 11.7 secs Computing kpt #: 303 total cpu time spent up to now is 11.8 secs Computing kpt #: 304 total cpu time spent up to now is 11.8 secs Computing kpt #: 305 total cpu time spent up to now is 11.9 secs Computing kpt #: 306 total cpu time spent up to now is 11.9 secs Computing kpt #: 307 total cpu time spent up to now is 11.9 secs Computing kpt #: 308 total cpu time spent up to now is 12.0 secs Computing kpt #: 309 total cpu time spent up to now is 12.0 secs Computing kpt #: 310 total cpu time spent up to now is 12.1 secs Computing kpt #: 311 total cpu time spent up to now is 12.1 secs Computing kpt #: 312 total cpu time spent up to now is 12.1 secs Computing kpt #: 313 total cpu time spent up to now is 12.2 secs Computing kpt #: 314 total cpu time spent up to now is 12.2 secs Computing kpt #: 315 total cpu time spent up to now is 12.3 secs Computing kpt #: 316 total cpu time spent up to now is 12.3 secs Computing kpt #: 317 total cpu time spent up to now is 12.3 secs Computing kpt #: 318 total cpu time spent up to now is 12.4 secs Computing kpt #: 319 total cpu time spent up to now is 12.4 secs Computing kpt #: 320 total cpu time spent up to now is 12.4 secs Computing kpt #: 321 total cpu time spent up to now is 12.5 secs Computing kpt #: 322 total cpu time spent up to now is 12.5 secs Computing kpt #: 323 total cpu time spent up to now is 12.6 secs Computing kpt #: 324 total cpu time spent up to now is 12.6 secs Computing kpt #: 325 total cpu time spent up to now is 12.6 secs Computing kpt #: 326 total cpu time spent up to now is 12.7 secs Computing kpt #: 327 total cpu time spent up to now is 12.7 secs Computing kpt #: 328 total cpu time spent up to now is 12.7 secs Computing kpt #: 329 total cpu time spent up to now is 12.8 secs Computing kpt #: 330 total cpu time spent up to now is 12.8 secs Computing kpt #: 331 total cpu time spent up to now is 12.9 secs Computing kpt #: 332 total cpu time spent up to now is 12.9 secs Computing kpt #: 333 total cpu time spent up to now is 12.9 secs Computing kpt #: 334 total cpu time spent up to now is 13.0 secs Computing kpt #: 335 total cpu time spent up to now is 13.0 secs Computing kpt #: 336 total cpu time spent up to now is 13.0 secs Computing kpt #: 337 total cpu time spent up to now is 13.1 secs Computing kpt #: 338 total cpu time spent up to now is 13.1 secs Computing kpt #: 339 total cpu time spent up to now is 13.2 secs Computing kpt #: 340 total cpu time spent up to now is 13.2 secs Computing kpt #: 341 total cpu time spent up to now is 13.2 secs Computing kpt #: 342 total cpu time spent up to now is 13.3 secs Computing kpt #: 343 total cpu time spent up to now is 13.3 secs Computing kpt #: 344 total cpu time spent up to now is 13.4 secs Computing kpt #: 345 total cpu time spent up to now is 13.4 secs Computing kpt #: 346 total cpu time spent up to now is 13.4 secs Computing kpt #: 347 total cpu time spent up to now is 13.5 secs Computing kpt #: 348 total cpu time spent up to now is 13.5 secs Computing kpt #: 349 total cpu time spent up to now is 13.6 secs Computing kpt #: 350 total cpu time spent up to now is 13.6 secs Computing kpt #: 351 total cpu time spent up to now is 13.6 secs Computing kpt #: 352 total cpu time spent up to now is 13.7 secs Computing kpt #: 353 total cpu time spent up to now is 13.7 secs Computing kpt #: 354 total cpu time spent up to now is 13.7 secs Computing kpt #: 355 total cpu time spent up to now is 13.8 secs Computing kpt #: 356 total cpu time spent up to now is 13.8 secs Computing kpt #: 357 total cpu time spent up to now is 13.9 secs Computing kpt #: 358 total cpu time spent up to now is 13.9 secs Computing kpt #: 359 total cpu time spent up to now is 13.9 secs Computing kpt #: 360 total cpu time spent up to now is 14.0 secs Computing kpt #: 361 total cpu time spent up to now is 14.0 secs Computing kpt #: 362 total cpu time spent up to now is 14.0 secs Computing kpt #: 363 total cpu time spent up to now is 14.1 secs Computing kpt #: 364 total cpu time spent up to now is 14.1 secs Computing kpt #: 365 total cpu time spent up to now is 14.2 secs Computing kpt #: 366 total cpu time spent up to now is 14.2 secs Computing kpt #: 367 total cpu time spent up to now is 14.2 secs Computing kpt #: 368 total cpu time spent up to now is 14.3 secs Computing kpt #: 369 total cpu time spent up to now is 14.3 secs Computing kpt #: 370 total cpu time spent up to now is 14.3 secs Computing kpt #: 371 total cpu time spent up to now is 14.4 secs Computing kpt #: 372 total cpu time spent up to now is 14.4 secs Computing kpt #: 373 total cpu time spent up to now is 14.4 secs Computing kpt #: 374 total cpu time spent up to now is 14.5 secs Computing kpt #: 375 total cpu time spent up to now is 14.5 secs Computing kpt #: 376 total cpu time spent up to now is 14.5 secs Computing kpt #: 377 total cpu time spent up to now is 14.6 secs Computing kpt #: 378 total cpu time spent up to now is 14.6 secs Computing kpt #: 379 total cpu time spent up to now is 14.6 secs Computing kpt #: 380 total cpu time spent up to now is 14.7 secs Computing kpt #: 381 total cpu time spent up to now is 14.7 secs Computing kpt #: 382 total cpu time spent up to now is 14.7 secs Computing kpt #: 383 total cpu time spent up to now is 14.8 secs Computing kpt #: 384 total cpu time spent up to now is 14.8 secs Computing kpt #: 385 total cpu time spent up to now is 14.9 secs Computing kpt #: 386 total cpu time spent up to now is 14.9 secs Computing kpt #: 387 total cpu time spent up to now is 14.9 secs Computing kpt #: 388 total cpu time spent up to now is 15.0 secs Computing kpt #: 389 total cpu time spent up to now is 15.0 secs Computing kpt #: 390 total cpu time spent up to now is 15.0 secs Computing kpt #: 391 total cpu time spent up to now is 15.1 secs Computing kpt #: 392 total cpu time spent up to now is 15.1 secs Computing kpt #: 393 total cpu time spent up to now is 15.1 secs Computing kpt #: 394 total cpu time spent up to now is 15.2 secs Computing kpt #: 395 total cpu time spent up to now is 15.2 secs Computing kpt #: 396 total cpu time spent up to now is 15.3 secs Computing kpt #: 397 total cpu time spent up to now is 15.3 secs Computing kpt #: 398 total cpu time spent up to now is 15.3 secs Computing kpt #: 399 total cpu time spent up to now is 15.4 secs Computing kpt #: 400 total cpu time spent up to now is 15.4 secs Computing kpt #: 401 total cpu time spent up to now is 15.4 secs Computing kpt #: 402 total cpu time spent up to now is 15.5 secs Computing kpt #: 403 total cpu time spent up to now is 15.5 secs Computing kpt #: 404 total cpu time spent up to now is 15.6 secs Computing kpt #: 405 total cpu time spent up to now is 15.6 secs Computing kpt #: 406 total cpu time spent up to now is 15.7 secs Computing kpt #: 407 total cpu time spent up to now is 15.7 secs Computing kpt #: 408 total cpu time spent up to now is 15.7 secs Computing kpt #: 409 total cpu time spent up to now is 15.8 secs Computing kpt #: 410 total cpu time spent up to now is 15.8 secs Computing kpt #: 411 total cpu time spent up to now is 15.8 secs Computing kpt #: 412 total cpu time spent up to now is 15.9 secs Computing kpt #: 413 total cpu time spent up to now is 15.9 secs Computing kpt #: 414 total cpu time spent up to now is 16.0 secs Computing kpt #: 415 total cpu time spent up to now is 16.0 secs Computing kpt #: 416 total cpu time spent up to now is 16.0 secs Computing kpt #: 417 total cpu time spent up to now is 16.1 secs Computing kpt #: 418 total cpu time spent up to now is 16.1 secs Computing kpt #: 419 total cpu time spent up to now is 16.1 secs Computing kpt #: 420 total cpu time spent up to now is 16.2 secs Computing kpt #: 421 total cpu time spent up to now is 16.2 secs Computing kpt #: 422 total cpu time spent up to now is 16.3 secs Computing kpt #: 423 total cpu time spent up to now is 16.3 secs Computing kpt #: 424 total cpu time spent up to now is 16.4 secs Computing kpt #: 425 total cpu time spent up to now is 16.4 secs Computing kpt #: 426 total cpu time spent up to now is 16.4 secs Computing kpt #: 427 total cpu time spent up to now is 16.5 secs Computing kpt #: 428 total cpu time spent up to now is 16.5 secs Computing kpt #: 429 total cpu time spent up to now is 16.6 secs Computing kpt #: 430 total cpu time spent up to now is 16.6 secs Computing kpt #: 431 total cpu time spent up to now is 16.7 secs Computing kpt #: 432 total cpu time spent up to now is 16.7 secs Computing kpt #: 433 total cpu time spent up to now is 16.7 secs Computing kpt #: 434 total cpu time spent up to now is 16.8 secs Computing kpt #: 435 total cpu time spent up to now is 16.8 secs Computing kpt #: 436 total cpu time spent up to now is 16.9 secs Computing kpt #: 437 total cpu time spent up to now is 16.9 secs Computing kpt #: 438 total cpu time spent up to now is 16.9 secs Computing kpt #: 439 total cpu time spent up to now is 17.0 secs Computing kpt #: 440 total cpu time spent up to now is 17.0 secs ethr = 2.50E-07, avg # of iterations = 10.0 total cpu time spent up to now is 17.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1351 PWs) bands (ev): -9.7325 -9.7325 -5.0402 -5.0402 -3.3285 -3.3285 6.4849 6.4849 9.7371 9.7371 11.2481 11.2481 k = 0.0082 0.0047-0.0000 ( 1335 PWs) bands (ev): -9.7314 -9.7314 -5.0395 -5.0395 -3.3271 -3.3271 6.4835 6.4835 9.7298 9.7298 11.2407 11.2407 k = 0.0164 0.0095-0.0000 ( 1339 PWs) bands (ev): -9.7279 -9.7279 -5.0381 -5.0381 -3.3234 -3.3234 6.4792 6.4792 9.7077 9.7077 11.2186 11.2186 k = 0.0246 0.0142-0.0000 ( 1341 PWs) bands (ev): -9.7222 -9.7222 -5.0358 -5.0358 -3.3172 -3.3172 6.4722 6.4722 9.6713 9.6713 11.1819 11.1819 k = 0.0328 0.0189-0.0000 ( 1345 PWs) bands (ev): -9.7142 -9.7142 -5.0326 -5.0326 -3.3085 -3.3085 6.4625 6.4625 9.6210 9.6210 11.1309 11.1309 k = 0.0410 0.0237-0.0000 ( 1345 PWs) bands (ev): -9.7039 -9.7039 -5.0285 -5.0285 -3.2974 -3.2974 6.4500 6.4500 9.5577 9.5577 11.0663 11.0663 k = 0.0492 0.0284-0.0000 ( 1345 PWs) bands (ev): -9.6913 -9.6913 -5.0235 -5.0235 -3.2838 -3.2838 6.4348 6.4348 9.4819 9.4819 10.9889 10.9889 k = 0.0574 0.0331-0.0000 ( 1343 PWs) bands (ev): -9.6765 -9.6765 -5.0176 -5.0176 -3.2677 -3.2677 6.4168 6.4168 9.3947 9.3947 10.8998 10.8998 k = 0.0656 0.0379-0.0000 ( 1343 PWs) bands (ev): -9.6593 -9.6593 -5.0110 -5.0110 -3.2491 -3.2491 6.3959 6.3959 9.2966 9.2966 10.8002 10.8002 k = 0.0738 0.0426-0.0000 ( 1343 PWs) bands (ev): -9.6400 -9.6400 -5.0035 -5.0035 -3.2281 -3.2281 6.3722 6.3722 9.1886 9.1886 10.6916 10.6916 k = 0.0820 0.0473-0.0000 ( 1343 PWs) bands (ev): -9.6183 -9.6183 -4.9953 -4.9953 -3.2046 -3.2046 6.3456 6.3456 9.0715 9.0715 10.5755 10.5755 k = 0.0902 0.0521-0.0000 ( 1339 PWs) bands (ev): -9.5944 -9.5944 -4.9864 -4.9864 -3.1787 -3.1787 6.3161 6.3161 8.9459 8.9459 10.4535 10.4535 k = 0.0984 0.0568-0.0000 ( 1339 PWs) bands (ev): -9.5684 -9.5684 -4.9768 -4.9768 -3.1503 -3.1503 6.2837 6.2837 8.8125 8.8125 10.3268 10.3268 k = 0.1066 0.0615-0.0000 ( 1335 PWs) bands (ev): -9.5400 -9.5400 -4.9666 -4.9666 -3.1195 -3.1195 6.2484 6.2484 8.6721 8.6721 10.1970 10.1970 k = 0.1148 0.0663-0.0000 ( 1339 PWs) bands (ev): -9.5095 -9.5095 -4.9559 -4.9559 -3.0864 -3.0864 6.2101 6.2101 8.5252 8.5252 10.0652 10.0652 k = 0.1230 0.0710-0.0000 ( 1337 PWs) bands (ev): -9.4768 -9.4768 -4.9447 -4.9447 -3.0508 -3.0508 6.1688 6.1688 8.3727 8.3727 9.9323 9.9323 k = 0.1311 0.0757-0.0000 ( 1341 PWs) bands (ev): -9.4420 -9.4420 -4.9331 -4.9331 -3.0128 -3.0128 6.1245 6.1245 8.2151 8.2151 9.7992 9.7992 k = 0.1393 0.0805-0.0000 ( 1349 PWs) bands (ev): -9.4050 -9.4050 -4.9212 -4.9212 -2.9726 -2.9726 6.0771 6.0771 8.0531 8.0531 9.6665 9.6665 k = 0.1475 0.0852-0.0000 ( 1349 PWs) bands (ev): -9.3659 -9.3659 -4.9090 -4.9090 -2.9299 -2.9299 6.0268 6.0268 7.8874 7.8874 9.5349 9.5349 k = 0.1557 0.0899-0.0000 ( 1351 PWs) bands (ev): -9.3247 -9.3247 -4.8966 -4.8966 -2.8848 -2.8848 5.9733 5.9733 7.7188 7.7188 9.4046 9.4046 k = 0.1639 0.0946-0.0000 ( 1355 PWs) bands (ev): -9.2814 -9.2814 -4.8842 -4.8842 -2.8374 -2.8374 5.9168 5.9168 7.5478 7.5478 9.2760 9.2760 k = 0.1721 0.0994-0.0000 ( 1357 PWs) bands (ev): -9.2361 -9.2361 -4.8718 -4.8718 -2.7878 -2.7878 5.8572 5.8572 7.3751 7.3751 9.1493 9.1493 k = 0.1803 0.1041-0.0000 ( 1353 PWs) bands (ev): -9.1887 -9.1887 -4.8595 -4.8595 -2.7358 -2.7358 5.7946 5.7946 7.2013 7.2013 9.0245 9.0245 k = 0.1885 0.1088-0.0000 ( 1353 PWs) bands (ev): -9.1395 -9.1395 -4.8474 -4.8474 -2.6815 -2.6815 5.7289 5.7289 7.0271 7.0271 8.9019 8.9019 k = 0.1967 0.1136-0.0000 ( 1351 PWs) bands (ev): -9.0882 -9.0882 -4.8356 -4.8356 -2.6250 -2.6250 5.6601 5.6601 6.8530 6.8530 8.7813 8.7813 k = 0.2049 0.1183-0.0000 ( 1351 PWs) bands (ev): -9.0351 -9.0351 -4.8243 -4.8243 -2.5662 -2.5662 5.5883 5.5883 6.6796 6.6796 8.6630 8.6630 k = 0.2131 0.1230-0.0000 ( 1351 PWs) bands (ev): -8.9800 -8.9800 -4.8136 -4.8136 -2.5053 -2.5053 5.5135 5.5135 6.5072 6.5072 8.5468 8.5468 k = 0.2213 0.1278-0.0000 ( 1351 PWs) bands (ev): -8.9232 -8.9232 -4.8036 -4.8036 -2.4423 -2.4423 5.4356 5.4356 6.3365 6.3365 8.4328 8.4328 k = 0.2295 0.1325-0.0000 ( 1353 PWs) bands (ev): -8.8646 -8.8646 -4.7944 -4.7944 -2.3771 -2.3771 5.3549 5.3549 6.1679 6.1679 8.3209 8.3209 k = 0.2377 0.1372-0.0000 ( 1351 PWs) bands (ev): -8.8043 -8.8043 -4.7863 -4.7863 -2.3098 -2.3098 5.2713 5.2713 6.0017 6.0017 8.2112 8.2112 k = 0.2459 0.1420-0.0000 ( 1343 PWs) bands (ev): -8.7422 -8.7422 -4.7792 -4.7792 -2.2405 -2.2405 5.1850 5.1850 5.8383 5.8383 8.1038 8.1038 k = 0.2541 0.1467-0.0000 ( 1343 PWs) bands (ev): -8.6786 -8.6786 -4.7734 -4.7734 -2.1692 -2.1692 5.0959 5.0959 5.6782 5.6782 7.9984 7.9984 k = 0.2623 0.1514-0.0000 ( 1347 PWs) bands (ev): -8.6134 -8.6134 -4.7690 -4.7690 -2.0960 -2.0960 5.0041 5.0041 5.5215 5.5215 7.8953 7.8953 k = 0.2705 0.1562-0.0000 ( 1345 PWs) bands (ev): -8.5468 -8.5468 -4.7661 -4.7661 -2.0208 -2.0208 4.9098 4.9098 5.3688 5.3688 7.7943 7.7943 k = 0.2787 0.1609-0.0000 ( 1339 PWs) bands (ev): -8.4786 -8.4786 -4.7650 -4.7650 -1.9439 -1.9439 4.8133 4.8133 5.2201 5.2201 7.6956 7.6956 k = 0.2869 0.1656-0.0000 ( 1339 PWs) bands (ev): -8.4092 -8.4092 -4.7656 -4.7656 -1.8651 -1.8651 4.7144 4.7144 5.0759 5.0759 7.5991 7.5991 k = 0.2951 0.1704-0.0000 ( 1337 PWs) bands (ev): -8.3386 -8.3386 -4.7682 -4.7682 -1.7847 -1.7847 4.6134 4.6134 4.9363 4.9363 7.5049 7.5049 k = 0.3033 0.1751-0.0000 ( 1340 PWs) bands (ev): -8.2669 -8.2669 -4.7728 -4.7728 -1.7027 -1.7027 4.5105 4.5105 4.8016 4.8016 7.4130 7.4130 k = 0.3115 0.1798-0.0000 ( 1340 PWs) bands (ev): -8.1941 -8.1941 -4.7797 -4.7797 -1.6192 -1.6192 4.4058 4.4058 4.6720 4.6720 7.3235 7.3235 k = 0.3197 0.1846-0.0000 ( 1340 PWs) bands (ev): -8.1205 -8.1205 -4.7888 -4.7888 -1.5343 -1.5343 4.2996 4.2996 4.5476 4.5476 7.2365 7.2365 k = 0.3279 0.1893-0.0000 ( 1344 PWs) bands (ev): -8.0461 -8.0461 -4.8002 -4.8002 -1.4480 -1.4480 4.1920 4.1920 4.4287 4.4287 7.1519 7.1519 k = 0.3361 0.1940-0.0000 ( 1344 PWs) bands (ev): -7.9710 -7.9710 -4.8140 -4.8140 -1.3606 -1.3606 4.0834 4.0834 4.3154 4.3154 7.0700 7.0700 k = 0.3443 0.1988-0.0000 ( 1344 PWs) bands (ev): -7.8955 -7.8955 -4.8303 -4.8303 -1.2722 -1.2722 3.9739 3.9739 4.2077 4.2077 6.9908 6.9908 k = 0.3525 0.2035-0.0000 ( 1348 PWs) bands (ev): -7.8198 -7.8198 -4.8490 -4.8490 -1.1830 -1.1830 3.8638 3.8638 4.1058 4.1058 6.9144 6.9144 k = 0.3607 0.2082-0.0000 ( 1344 PWs) bands (ev): -7.7438 -7.7438 -4.8701 -4.8701 -1.0930 -1.0930 3.7534 3.7534 4.0097 4.0097 6.8409 6.8409 k = 0.3689 0.2130-0.0000 ( 1344 PWs) bands (ev): -7.6680 -7.6680 -4.8935 -4.8935 -1.0028 -1.0028 3.6431 3.6431 3.9196 3.9196 6.7705 6.7705 k = 0.3770 0.2177-0.0000 ( 1344 PWs) bands (ev): -7.5925 -7.5925 -4.9193 -4.9193 -0.9124 -0.9124 3.5334 3.5334 3.8354 3.8354 6.7033 6.7033 k = 0.3852 0.2224-0.0000 ( 1352 PWs) bands (ev): -7.5178 -7.5178 -4.9472 -4.9472 -0.8222 -0.8222 3.4244 3.4244 3.7571 3.7571 6.6393 6.6393 k = 0.3934 0.2272-0.0000 ( 1352 PWs) bands (ev): -7.4439 -7.4439 -4.9769 -4.9769 -0.7325 -0.7325 3.3168 3.3168 3.6847 3.6847 6.5789 6.5789 k = 0.4016 0.2319-0.0000 ( 1348 PWs) bands (ev): -7.3713 -7.3713 -5.0083 -5.0083 -0.6438 -0.6438 3.2111 3.2111 3.6181 3.6181 6.5221 6.5221 k = 0.4098 0.2366-0.0000 ( 1352 PWs) bands (ev): -7.3006 -7.3006 -5.0411 -5.0411 -0.5565 -0.5565 3.1080 3.1080 3.5574 3.5574 6.4691 6.4691 k = 0.4180 0.2414-0.0000 ( 1354 PWs) bands (ev): -7.2321 -7.2321 -5.0747 -5.0747 -0.4714 -0.4714 3.0079 3.0079 3.5024 3.5024 6.4200 6.4200 k = 0.4262 0.2461-0.0000 ( 1354 PWs) bands (ev): -7.1663 -7.1663 -5.1088 -5.1088 -0.3891 -0.3891 2.9118 2.9118 3.4530 3.4530 6.3751 6.3751 k = 0.4344 0.2508-0.0000 ( 1350 PWs) bands (ev): -7.1039 -7.1039 -5.1426 -5.1426 -0.3103 -0.3103 2.8207 2.8207 3.4092 3.4092 6.3343 6.3343 k = 0.4426 0.2555-0.0000 ( 1350 PWs) bands (ev): -7.0457 -7.0457 -5.1757 -5.1757 -0.2363 -0.2363 2.7355 2.7355 3.3709 3.3709 6.2980 6.2980 k = 0.4508 0.2603-0.0000 ( 1352 PWs) bands (ev): -6.9925 -6.9925 -5.2071 -5.2071 -0.1681 -0.1681 2.6574 2.6574 3.3379 3.3379 6.2662 6.2662 k = 0.4590 0.2650-0.0000 ( 1356 PWs) bands (ev): -6.9451 -6.9451 -5.2361 -5.2361 -0.1069 -0.1069 2.5878 2.5878 3.3102 3.3102 6.2391 6.2391 k = 0.4672 0.2697-0.0000 ( 1356 PWs) bands (ev): -6.9044 -6.9044 -5.2616 -5.2616 -0.0540 -0.0540 2.5280 2.5280 3.2876 3.2876 6.2167 6.2167 k = 0.4754 0.2745-0.0000 ( 1360 PWs) bands (ev): -6.8715 -6.8715 -5.2828 -5.2828 -0.0110 -0.0110 2.4796 2.4796 3.2702 3.2702 6.1992 6.1992 k = 0.4836 0.2792-0.0000 ( 1356 PWs) bands (ev): -6.8473 -6.8473 -5.2986 -5.2986 0.0209 0.0209 2.4438 2.4438 3.2578 3.2578 6.1867 6.1867 k = 0.4918 0.2839-0.0000 ( 1356 PWs) bands (ev): -6.8324 -6.8324 -5.3084 -5.3084 0.0405 0.0405 2.4218 2.4218 3.2503 3.2503 6.1791 6.1791 k = 0.5000 0.2887-0.0000 ( 1360 PWs) bands (ev): -6.8274 -6.8274 -5.3117 -5.3117 0.0471 0.0471 2.4145 2.4145 3.2479 3.2479 6.1766 6.1766 k = 0.5000 0.2887-0.0000 ( 1360 PWs) bands (ev): -6.8274 -6.8274 -5.3117 -5.3117 0.0471 0.0471 2.4145 2.4145 3.2479 3.2479 6.1766 6.1766 k = 0.4952 0.2969-0.0000 ( 1356 PWs) bands (ev): -6.8264 -6.8264 -5.3118 -5.3118 0.0483 0.0483 2.4142 2.4142 3.2485 3.2485 6.1776 6.1776 k = 0.4905 0.3052-0.0000 ( 1356 PWs) bands (ev): -6.8236 -6.8236 -5.3120 -5.3120 0.0519 0.0519 2.4133 2.4133 3.2506 3.2506 6.1806 6.1806 k = 0.4857 0.3134-0.0000 ( 1356 PWs) bands (ev): -6.8190 -6.8190 -5.3124 -5.3124 0.0578 0.0578 2.4120 2.4120 3.2540 3.2540 6.1856 6.1856 k = 0.4810 0.3217-0.0000 ( 1360 PWs) bands (ev): -6.8125 -6.8125 -5.3129 -5.3129 0.0662 0.0662 2.4099 2.4099 3.2587 3.2587 6.1926 6.1926 k = 0.4762 0.3299-0.0000 ( 1358 PWs) bands (ev): -6.8041 -6.8041 -5.3136 -5.3136 0.0769 0.0769 2.4073 2.4073 3.2646 3.2646 6.2016 6.2016 k = 0.4714 0.3382-0.0000 ( 1362 PWs) bands (ev): -6.7939 -6.7939 -5.3145 -5.3145 0.0899 0.0899 2.4039 2.4039 3.2718 3.2718 6.2124 6.2124 k = 0.4667 0.3464-0.0000 ( 1358 PWs) bands (ev): -6.7819 -6.7819 -5.3157 -5.3157 0.1054 0.1054 2.3998 2.3998 3.2800 3.2800 6.2251 6.2251 k = 0.4619 0.3547-0.0000 ( 1358 PWs) bands (ev): -6.7681 -6.7681 -5.3173 -5.3173 0.1232 0.1232 2.3948 2.3948 3.2893 3.2893 6.2396 6.2396 k = 0.4571 0.3629-0.0000 ( 1358 PWs) bands (ev): -6.7525 -6.7525 -5.3193 -5.3193 0.1434 0.1434 2.3890 2.3890 3.2994 3.2994 6.2558 6.2558 k = 0.4524 0.3712-0.0000 ( 1356 PWs) bands (ev): -6.7350 -6.7350 -5.3217 -5.3217 0.1660 0.1660 2.3820 2.3820 3.3104 3.3104 6.2737 6.2737 k = 0.4476 0.3794-0.0000 ( 1352 PWs) bands (ev): -6.7158 -6.7158 -5.3246 -5.3246 0.1908 0.1908 2.3739 2.3739 3.3219 3.3219 6.2931 6.2931 k = 0.4429 0.3876-0.0000 ( 1354 PWs) bands (ev): -6.6949 -6.6949 -5.3281 -5.3281 0.2179 0.2179 2.3645 2.3645 3.3339 3.3339 6.3139 6.3139 k = 0.4381 0.3959-0.0000 ( 1358 PWs) bands (ev): -6.6723 -6.6723 -5.3324 -5.3324 0.2475 0.2475 2.3537 2.3537 3.3461 3.3461 6.3360 6.3360 k = 0.4333 0.4041-0.0000 ( 1358 PWs) bands (ev): -6.6480 -6.6480 -5.3375 -5.3375 0.2793 0.2793 2.3412 2.3412 3.3583 3.3583 6.3592 6.3592 k = 0.4286 0.4124-0.0000 ( 1360 PWs) bands (ev): -6.6221 -6.6221 -5.3435 -5.3435 0.3135 0.3135 2.3271 2.3271 3.3703 3.3703 6.3833 6.3833 k = 0.4238 0.4206-0.0000 ( 1360 PWs) bands (ev): -6.5945 -6.5945 -5.3505 -5.3505 0.3499 0.3499 2.3110 2.3110 3.3818 3.3818 6.4081 6.4081 k = 0.4190 0.4289-0.0000 ( 1360 PWs) bands (ev): -6.5653 -6.5653 -5.3586 -5.3586 0.3887 0.3887 2.2929 2.2929 3.3927 3.3927 6.4333 6.4333 k = 0.4143 0.4371-0.0000 ( 1368 PWs) bands (ev): -6.5347 -6.5347 -5.3680 -5.3680 0.4297 0.4297 2.2724 2.2724 3.4024 3.4024 6.4587 6.4587 k = 0.4095 0.4454-0.0000 ( 1360 PWs) bands (ev): -6.5025 -6.5025 -5.3786 -5.3786 0.4729 0.4729 2.2496 2.2496 3.4110 3.4110 6.4840 6.4840 k = 0.4048 0.4536-0.0000 ( 1360 PWs) bands (ev): -6.4688 -6.4688 -5.3908 -5.3908 0.5184 0.5184 2.2243 2.2243 3.4180 3.4180 6.5087 6.5087 k = 0.4000 0.4619-0.0000 ( 1364 PWs) bands (ev): -6.4337 -6.4337 -5.4046 -5.4046 0.5661 0.5661 2.1961 2.1961 3.4232 3.4232 6.5323 6.5323 k = 0.3952 0.4701-0.0000 ( 1360 PWs) bands (ev): -6.3972 -6.3972 -5.4201 -5.4201 0.6160 0.6160 2.1651 2.1651 3.4265 3.4265 6.5545 6.5545 k = 0.3905 0.4784-0.0000 ( 1360 PWs) bands (ev): -6.3594 -6.3594 -5.4374 -5.4374 0.6681 0.6681 2.1310 2.1310 3.4277 3.4277 6.5390 6.5390 k = 0.3857 0.4866-0.0000 ( 1360 PWs) bands (ev): -6.3204 -6.3204 -5.4568 -5.4568 0.7223 0.7223 2.0937 2.0937 3.4268 3.4268 6.4682 6.4682 k = 0.3810 0.4949-0.0000 ( 1364 PWs) bands (ev): -6.2801 -6.2801 -5.4783 -5.4783 0.7786 0.7786 2.0531 2.0531 3.4238 3.4238 6.4096 6.4096 k = 0.3762 0.5031-0.0000 ( 1360 PWs) bands (ev): -6.2387 -6.2387 -5.5019 -5.5019 0.8371 0.8371 2.0091 2.0091 3.4189 3.4189 6.3631 6.3631 k = 0.3714 0.5114-0.0000 ( 1364 PWs) bands (ev): -6.1962 -6.1962 -5.5278 -5.5278 0.8976 0.8976 1.9615 1.9615 3.4123 3.4123 6.3286 6.3286 k = 0.3667 0.5196-0.0000 ( 1368 PWs) bands (ev): -6.1528 -6.1528 -5.5562 -5.5562 0.9602 0.9602 1.9104 1.9104 3.4045 3.4045 6.3057 6.3057 k = 0.3619 0.5279-0.0000 ( 1368 PWs) bands (ev): -6.1084 -6.1084 -5.5870 -5.5870 1.0248 1.0248 1.8557 1.8557 3.3959 3.3959 6.2943 6.2943 k = 0.3571 0.5361-0.0000 ( 1368 PWs) bands (ev): -6.0632 -6.0632 -5.6204 -5.6204 1.0915 1.0915 1.7974 1.7974 3.3870 3.3870 6.2938 6.2938 k = 0.3524 0.5444-0.0000 ( 1362 PWs) bands (ev): -6.0172 -6.0172 -5.6564 -5.6564 1.1602 1.1602 1.7356 1.7356 3.3783 3.3783 6.3037 6.3037 k = 0.3476 0.5526-0.0000 ( 1362 PWs) bands (ev): -5.9706 -5.9706 -5.6951 -5.6951 1.2307 1.2307 1.6703 1.6703 3.3706 3.3706 6.3234 6.3234 k = 0.3429 0.5609-0.0000 ( 1366 PWs) bands (ev): -5.9234 -5.9234 -5.7366 -5.7366 1.3032 1.3032 1.6014 1.6014 3.3643 3.3643 6.3524 6.3524 k = 0.3381 0.5691-0.0000 ( 1362 PWs) bands (ev): -5.8757 -5.8757 -5.7807 -5.7807 1.3775 1.3775 1.5291 1.5291 3.3601 3.3601 6.3901 6.3901 k = 0.3333 0.5774-0.0000 ( 1362 PWs) bands (ev): -5.8276 -5.8276 -5.8276 -5.8276 1.4537 1.4537 1.4537 1.4537 3.3586 3.3586 6.4360 6.4360 k = 0.3333 0.5774-0.0000 ( 1362 PWs) bands (ev): -5.8276 -5.8276 -5.8276 -5.8276 1.4537 1.4537 1.4537 1.4537 3.3586 3.3586 6.4360 6.4360 k = 0.3286 0.5691-0.0000 ( 1362 PWs) bands (ev): -5.8772 -5.8772 -5.7792 -5.7792 1.3751 1.3751 1.5316 1.5316 3.3603 3.3603 6.3836 6.3836 k = 0.3238 0.5609-0.0000 ( 1362 PWs) bands (ev): -5.9294 -5.9294 -5.7307 -5.7307 1.2936 1.2936 1.6113 1.6113 3.3656 3.3656 6.3265 6.3265 k = 0.3190 0.5526-0.0000 ( 1364 PWs) bands (ev): -5.9843 -5.9843 -5.6821 -5.6821 1.2092 1.2092 1.6927 1.6927 3.3750 3.3750 6.2655 6.2655 k = 0.3143 0.5444-0.0000 ( 1368 PWs) bands (ev): -6.0418 -6.0418 -5.6336 -5.6336 1.1224 1.1224 1.7756 1.7756 3.3887 3.3887 6.2018 6.2018 k = 0.3095 0.5361-0.0000 ( 1368 PWs) bands (ev): -6.1018 -6.1018 -5.5852 -5.5852 1.0331 1.0331 1.8602 1.8602 3.4071 3.4071 6.1362 6.1362 k = 0.3048 0.5279-0.0000 ( 1372 PWs) bands (ev): -6.1641 -6.1641 -5.5372 -5.5372 0.9416 0.9416 1.9464 1.9464 3.4305 3.4305 6.0697 6.0697 k = 0.3000 0.5196-0.0000 ( 1372 PWs) bands (ev): -6.2288 -6.2288 -5.4895 -5.4895 0.8482 0.8482 2.0340 2.0340 3.4590 3.4590 6.0032 6.0032 k = 0.2952 0.5114-0.0000 ( 1372 PWs) bands (ev): -6.2955 -6.2955 -5.4424 -5.4424 0.7531 0.7531 2.1231 2.1231 3.4928 3.4928 5.9374 5.9374 k = 0.2905 0.5031-0.0000 ( 1376 PWs) bands (ev): -6.3644 -6.3644 -5.3960 -5.3960 0.6563 0.6563 2.2134 2.2134 3.5319 3.5319 5.8732 5.8732 k = 0.2857 0.4949-0.0000 ( 1376 PWs) bands (ev): -6.4352 -6.4352 -5.3504 -5.3504 0.5583 0.5583 2.3052 2.3052 3.5765 3.5765 5.8111 5.8111 k = 0.2810 0.4866-0.0000 ( 1376 PWs) bands (ev): -6.5076 -6.5076 -5.3057 -5.3057 0.4591 0.4591 2.3982 2.3982 3.6266 3.6266 5.7517 5.7517 k = 0.2762 0.4784-0.0000 ( 1372 PWs) bands (ev): -6.5817 -6.5817 -5.2620 -5.2620 0.3589 0.3589 2.4924 2.4924 3.6822 3.6822 5.6957 5.6957 k = 0.2714 0.4701-0.0000 ( 1372 PWs) bands (ev): -6.6572 -6.6572 -5.2195 -5.2195 0.2580 0.2580 2.5876 2.5876 3.7433 3.7433 5.6435 5.6435 k = 0.2667 0.4619-0.0000 ( 1372 PWs) bands (ev): -6.7340 -6.7340 -5.1783 -5.1783 0.1566 0.1566 2.6838 2.6838 3.8099 3.8099 5.5955 5.5955 k = 0.2619 0.4536-0.0000 ( 1368 PWs) bands (ev): -6.8120 -6.8120 -5.1385 -5.1385 0.0548 0.0548 2.7810 2.7810 3.8818 3.8818 5.5521 5.5521 k = 0.2571 0.4454-0.0000 ( 1364 PWs) bands (ev): -6.8909 -6.8909 -5.1001 -5.1001 -0.0472 -0.0472 2.8789 2.8789 3.9591 3.9591 5.5137 5.5137 k = 0.2524 0.4371-0.0000 ( 1364 PWs) bands (ev): -6.9707 -6.9707 -5.0635 -5.0635 -0.1492 -0.1492 2.9777 2.9777 4.0416 4.0416 5.4805 5.4805 k = 0.2476 0.4289-0.0000 ( 1364 PWs) bands (ev): -7.0511 -7.0511 -5.0287 -5.0287 -0.2511 -0.2511 3.0771 3.0771 4.1294 4.1294 5.4528 5.4528 k = 0.2429 0.4206-0.0000 ( 1364 PWs) bands (ev): -7.1320 -7.1320 -4.9957 -4.9957 -0.3527 -0.3527 3.1770 3.1770 4.2222 4.2222 5.4309 5.4309 k = 0.2381 0.4124-0.0000 ( 1364 PWs) bands (ev): -7.2134 -7.2134 -4.9646 -4.9646 -0.4538 -0.4538 3.2774 3.2774 4.3199 4.3199 5.4149 5.4149 k = 0.2333 0.4041-0.0000 ( 1360 PWs) bands (ev): -7.2949 -7.2949 -4.9355 -4.9355 -0.5544 -0.5544 3.3782 3.3782 4.4226 4.4226 5.4051 5.4051 k = 0.2286 0.3959-0.0000 ( 1360 PWs) bands (ev): -7.3765 -7.3765 -4.9085 -4.9085 -0.6543 -0.6543 3.4793 3.4793 4.5300 4.5300 5.4016 5.4016 k = 0.2238 0.3876-0.0000 ( 1356 PWs) bands (ev): -7.4581 -7.4581 -4.8835 -4.8835 -0.7534 -0.7534 3.5805 3.5805 4.6420 4.6420 5.4044 5.4044 k = 0.2190 0.3794-0.0000 ( 1352 PWs) bands (ev): -7.5395 -7.5395 -4.8607 -4.8607 -0.8515 -0.8515 3.6818 3.6818 4.7586 4.7586 5.4137 5.4137 k = 0.2143 0.3712-0.0000 ( 1348 PWs) bands (ev): -7.6205 -7.6205 -4.8401 -4.8401 -0.9487 -0.9487 3.7831 3.7831 4.8796 4.8796 5.4296 5.4296 k = 0.2095 0.3629-0.0000 ( 1344 PWs) bands (ev): -7.7012 -7.7012 -4.8217 -4.8217 -1.0447 -1.0447 3.8841 3.8841 5.0049 5.0049 5.4520 5.4520 k = 0.2048 0.3547-0.0000 ( 1346 PWs) bands (ev): -7.7813 -7.7813 -4.8055 -4.8055 -1.1395 -1.1395 3.9846 3.9846 5.1343 5.1343 5.4811 5.4811 k = 0.2000 0.3464-0.0000 ( 1346 PWs) bands (ev): -7.8608 -7.8608 -4.7914 -4.7914 -1.2329 -1.2329 4.0847 4.0847 5.2678 5.2678 5.5167 5.5167 k = 0.1952 0.3382-0.0000 ( 1342 PWs) bands (ev): -7.9395 -7.9395 -4.7796 -4.7796 -1.3249 -1.3249 4.1843 4.1843 5.4053 5.4053 5.5590 5.5590 k = 0.1905 0.3299-0.0000 ( 1342 PWs) bands (ev): -8.0173 -8.0173 -4.7698 -4.7698 -1.4154 -1.4154 4.2831 4.2831 5.5465 5.5465 5.6078 5.6078 k = 0.1857 0.3217-0.0000 ( 1346 PWs) bands (ev): -8.0942 -8.0942 -4.7621 -4.7621 -1.5045 -1.5045 4.3810 4.3810 5.6630 5.6630 5.6913 5.6913 k = 0.1810 0.3134-0.0000 ( 1342 PWs) bands (ev): -8.1699 -8.1699 -4.7563 -4.7563 -1.5919 -1.5919 4.4780 4.4780 5.7246 5.7246 5.8397 5.8397 k = 0.1762 0.3052-0.0000 ( 1348 PWs) bands (ev): -8.2446 -8.2446 -4.7526 -4.7526 -1.6776 -1.6776 4.5738 4.5738 5.7924 5.7924 5.9915 5.9915 k = 0.1714 0.2969-0.0000 ( 1342 PWs) bands (ev): -8.3180 -8.3180 -4.7505 -4.7505 -1.7616 -1.7616 4.6684 4.6684 5.8664 5.8664 6.1466 6.1466 k = 0.1667 0.2887-0.0000 ( 1340 PWs) bands (ev): -8.3902 -8.3902 -4.7503 -4.7503 -1.8438 -1.8438 4.7617 4.7617 5.9464 5.9464 6.3048 6.3048 k = 0.1619 0.2804-0.0000 ( 1344 PWs) bands (ev): -8.4610 -8.4610 -4.7517 -4.7517 -1.9241 -1.9241 4.8534 4.8534 6.0322 6.0322 6.4660 6.4660 k = 0.1571 0.2722-0.0000 ( 1344 PWs) bands (ev): -8.5304 -8.5304 -4.7547 -4.7547 -2.0025 -2.0025 4.9434 4.9434 6.1236 6.1236 6.6300 6.6300 k = 0.1524 0.2639-0.0000 ( 1348 PWs) bands (ev): -8.5982 -8.5982 -4.7591 -4.7591 -2.0791 -2.0791 5.0317 5.0317 6.2204 6.2204 6.7966 6.7966 k = 0.1476 0.2557-0.0000 ( 1344 PWs) bands (ev): -8.6644 -8.6644 -4.7648 -4.7648 -2.1536 -2.1536 5.1181 5.1181 6.3225 6.3225 6.9657 6.9657 k = 0.1429 0.2474-0.0000 ( 1344 PWs) bands (ev): -8.7291 -8.7291 -4.7718 -4.7718 -2.2260 -2.2260 5.2025 5.2025 6.4296 6.4296 7.1371 7.1371 k = 0.1381 0.2392-0.0000 ( 1340 PWs) bands (ev): -8.7920 -8.7920 -4.7798 -4.7798 -2.2964 -2.2964 5.2847 5.2847 6.5415 6.5415 7.3106 7.3106 k = 0.1333 0.2309-0.0000 ( 1340 PWs) bands (ev): -8.8533 -8.8533 -4.7888 -4.7888 -2.3646 -2.3646 5.3648 5.3648 6.6578 6.6578 7.4860 7.4860 k = 0.1286 0.2227-0.0000 ( 1348 PWs) bands (ev): -8.9128 -8.9128 -4.7987 -4.7987 -2.4308 -2.4308 5.4423 5.4423 6.7784 6.7784 7.6631 7.6631 k = 0.1238 0.2144-0.0000 ( 1348 PWs) bands (ev): -8.9704 -8.9704 -4.8093 -4.8093 -2.4947 -2.4947 5.5176 5.5176 6.9028 6.9028 7.8415 7.8415 k = 0.1190 0.2062-0.0000 ( 1348 PWs) bands (ev): -9.0262 -9.0262 -4.8206 -4.8206 -2.5565 -2.5565 5.5903 5.5903 7.0309 7.0309 8.0211 8.0211 k = 0.1143 0.1979-0.0000 ( 1348 PWs) bands (ev): -9.0800 -9.0800 -4.8323 -4.8323 -2.6160 -2.6160 5.6604 5.6604 7.1623 7.1623 8.2015 8.2015 k = 0.1095 0.1897-0.0000 ( 1354 PWs) bands (ev): -9.1321 -9.1321 -4.8444 -4.8444 -2.6732 -2.6732 5.7278 5.7278 7.2965 7.2965 8.3824 8.3824 k = 0.1048 0.1815-0.0000 ( 1354 PWs) bands (ev): -9.1820 -9.1820 -4.8568 -4.8568 -2.7282 -2.7282 5.7925 5.7925 7.4332 7.4332 8.5635 8.5635 k = 0.1000 0.1732-0.0000 ( 1358 PWs) bands (ev): -9.2300 -9.2300 -4.8695 -4.8695 -2.7809 -2.7809 5.8544 5.8544 7.5720 7.5720 8.7442 8.7442 k = 0.0952 0.1650-0.0000 ( 1354 PWs) bands (ev): -9.2758 -9.2758 -4.8821 -4.8821 -2.8312 -2.8312 5.9135 5.9135 7.7125 7.7125 8.9243 8.9243 k = 0.0905 0.1567-0.0000 ( 1350 PWs) bands (ev): -9.3197 -9.3197 -4.8947 -4.8947 -2.8792 -2.8792 5.9697 5.9697 7.8541 7.8541 9.1031 9.1031 k = 0.0857 0.1485-0.0000 ( 1350 PWs) bands (ev): -9.3614 -9.3614 -4.9073 -4.9073 -2.9248 -2.9248 6.0231 6.0231 7.9963 7.9963 9.2802 9.2802 k = 0.0810 0.1402-0.0000 ( 1352 PWs) bands (ev): -9.4010 -9.4010 -4.9197 -4.9197 -2.9681 -2.9681 6.0734 6.0734 8.1385 8.1385 9.4548 9.4548 k = 0.0762 0.1320-0.0000 ( 1352 PWs) bands (ev): -9.4384 -9.4384 -4.9319 -4.9319 -3.0090 -3.0090 6.1209 6.1209 8.2801 8.2801 9.6264 9.6264 k = 0.0714 0.1237-0.0000 ( 1348 PWs) bands (ev): -9.4737 -9.4737 -4.9436 -4.9436 -3.0474 -3.0474 6.1654 6.1654 8.4204 8.4204 9.7942 9.7942 k = 0.0667 0.1155-0.0000 ( 1348 PWs) bands (ev): -9.5068 -9.5068 -4.9549 -4.9549 -3.0834 -3.0834 6.2070 6.2070 8.5586 8.5586 9.9573 9.9573 k = 0.0619 0.1072-0.0000 ( 1348 PWs) bands (ev): -9.5376 -9.5376 -4.9658 -4.9658 -3.1170 -3.1170 6.2456 6.2456 8.6939 8.6939 10.1150 10.1150 k = 0.0571 0.0990-0.0000 ( 1345 PWs) bands (ev): -9.5663 -9.5663 -4.9761 -4.9761 -3.1481 -3.1481 6.2813 6.2813 8.8255 8.8255 10.2663 10.2663 k = 0.0524 0.0907-0.0000 ( 1345 PWs) bands (ev): -9.5927 -9.5927 -4.9858 -4.9858 -3.1768 -3.1768 6.3140 6.3140 8.9524 8.9524 10.4101 10.4101 k = 0.0476 0.0825-0.0000 ( 1345 PWs) bands (ev): -9.6169 -9.6169 -4.9948 -4.9948 -3.2031 -3.2031 6.3438 6.3438 9.0736 9.0736 10.5456 10.5456 k = 0.0429 0.0742-0.0000 ( 1345 PWs) bands (ev): -9.6388 -9.6388 -5.0031 -5.0031 -3.2268 -3.2268 6.3707 6.3707 9.1880 9.1880 10.6717 10.6717 k = 0.0381 0.0660-0.0000 ( 1343 PWs) bands (ev): -9.6584 -9.6584 -5.0106 -5.0106 -3.2481 -3.2481 6.3947 6.3947 9.2946 9.2946 10.7875 10.7875 k = 0.0333 0.0577-0.0000 ( 1347 PWs) bands (ev): -9.6758 -9.6758 -5.0174 -5.0174 -3.2669 -3.2669 6.4158 6.4158 9.3921 9.3921 10.8919 10.8919 k = 0.0286 0.0495-0.0000 ( 1347 PWs) bands (ev): -9.6908 -9.6908 -5.0233 -5.0233 -3.2832 -3.2832 6.4341 6.4341 9.4795 9.4795 10.9841 10.9841 k = 0.0238 0.0412-0.0000 ( 1347 PWs) bands (ev): -9.7036 -9.7036 -5.0283 -5.0283 -3.2970 -3.2970 6.4495 6.4495 9.5557 9.5557 11.0635 11.0635 k = 0.0190 0.0330-0.0000 ( 1343 PWs) bands (ev): -9.7140 -9.7140 -5.0325 -5.0325 -3.3083 -3.3083 6.4622 6.4622 9.6197 9.6197 11.1293 11.1293 k = 0.0143 0.0247-0.0000 ( 1343 PWs) bands (ev): -9.7221 -9.7221 -5.0357 -5.0357 -3.3171 -3.3171 6.4720 6.4720 9.6705 9.6705 11.1810 11.1810 k = 0.0095 0.0165-0.0000 ( 1339 PWs) bands (ev): -9.7279 -9.7279 -5.0381 -5.0381 -3.3233 -3.3233 6.4790 6.4790 9.7074 9.7074 11.2182 11.2182 k = 0.0048 0.0082-0.0000 ( 1337 PWs) bands (ev): -9.7314 -9.7314 -5.0395 -5.0395 -3.3271 -3.3271 6.4834 6.4834 9.7297 9.7297 11.2407 11.2407 k = 0.0000 0.0000 0.0000 ( 1351 PWs) bands (ev): -9.7325 -9.7325 -5.0402 -5.0402 -3.3285 -3.3285 6.4849 6.4849 9.7371 9.7371 11.2481 11.2481 k = 0.0000 0.0000 0.0000 ( 1351 PWs) bands (ev): -9.7325 -9.7325 -5.0402 -5.0402 -3.3285 -3.3285 6.4849 6.4849 9.7371 9.7371 11.2481 11.2481 k = 0.0000 0.0000 0.0093 ( 1339 PWs) bands (ev): -9.7312 -9.7312 -5.0539 -5.0539 -3.3126 -3.3126 6.4774 6.4774 9.7389 9.7389 11.2528 11.2528 k = 0.0000 0.0000 0.0186 ( 1340 PWs) bands (ev): -9.7274 -9.7274 -5.0939 -5.0939 -3.2669 -3.2669 6.4552 6.4552 9.7439 9.7439 11.2668 11.2668 k = 0.0000 0.0000 0.0279 ( 1340 PWs) bands (ev): -9.7209 -9.7209 -5.1565 -5.1565 -3.1949 -3.1949 6.4185 6.4185 9.7524 9.7524 11.2897 11.2897 k = 0.0000 0.0000 0.0371 ( 1340 PWs) bands (ev): -9.7119 -9.7119 -5.2368 -5.2368 -3.1012 -3.1012 6.3679 6.3679 9.7642 9.7642 11.3208 11.3208 k = 0.0000 0.0000 0.0464 ( 1346 PWs) bands (ev): -9.7003 -9.7003 -5.3305 -5.3305 -2.9904 -2.9904 6.3037 6.3037 9.7794 9.7794 11.3594 11.3594 k = 0.0000 0.0000 0.0557 ( 1346 PWs) bands (ev): -9.6862 -9.6862 -5.4339 -5.4339 -2.8661 -2.8661 6.2274 6.2274 9.7980 9.7980 11.4044 11.4044 k = 0.0000 0.0000 0.0650 ( 1346 PWs) bands (ev): -9.6694 -9.6694 -5.5441 -5.5441 -2.7313 -2.7313 6.1395 6.1395 9.8199 9.8199 11.4547 11.4547 k = 0.0000 0.0000 0.0743 ( 1346 PWs) bands (ev): -9.6501 -9.6501 -5.6589 -5.6589 -2.5882 -2.5882 6.0409 6.0409 9.8452 9.8452 11.5093 11.5093 k = 0.0000 0.0000 0.0836 ( 1346 PWs) bands (ev): -9.6283 -9.6283 -5.7768 -5.7768 -2.4382 -2.4382 5.9324 5.9324 9.8738 9.8738 11.5667 11.5667 k = 0.0000 0.0000 0.0928 ( 1346 PWs) bands (ev): -9.6038 -9.6038 -5.8965 -5.8965 -2.2827 -2.2827 5.8151 5.8151 9.9057 9.9057 11.6259 11.6259 k = 0.0000 0.0000 0.1021 ( 1346 PWs) bands (ev): -9.5768 -9.5768 -6.0173 -6.0173 -2.1226 -2.1226 5.6896 5.6896 9.9409 9.9409 11.6854 11.6854 k = 0.0000 0.0000 0.1114 ( 1346 PWs) bands (ev): -9.5473 -9.5473 -6.1383 -6.1383 -1.9585 -1.9585 5.5567 5.5567 9.9794 9.9794 11.7441 11.7441 k = 0.0000 0.0000 0.1207 ( 1346 PWs) bands (ev): -9.5151 -9.5151 -6.2591 -6.2591 -1.7910 -1.7910 5.4172 5.4172 10.0211 10.0211 11.8007 11.8007 k = 0.0000 0.0000 0.1300 ( 1352 PWs) bands (ev): -9.4805 -9.4805 -6.3794 -6.3794 -1.6205 -1.6205 5.2715 5.2715 10.0660 10.0660 11.8538 11.8538 k = 0.0000 0.0000 0.1393 ( 1346 PWs) bands (ev): -9.4431 -9.4431 -6.4988 -6.4988 -1.4474 -1.4474 5.1206 5.1206 10.1140 10.1140 11.9025 11.9025 k = 0.0000 0.0000 0.1485 ( 1340 PWs) bands (ev): -9.4033 -9.4033 -6.6171 -6.6171 -1.2718 -1.2718 4.9648 4.9648 10.1652 10.1652 11.9454 11.9454 k = 0.0000 0.0000 0.1578 ( 1340 PWs) bands (ev): -9.3610 -9.3610 -6.7340 -6.7340 -1.0942 -1.0942 4.8046 4.8046 10.2195 10.2195 11.9812 11.9812 k = 0.0000 0.0000 0.1671 ( 1340 PWs) bands (ev): -9.3162 -9.3162 -6.8495 -6.8495 -0.9147 -0.9147 4.6404 4.6404 10.2767 10.2767 12.0091 12.0091 k = 0.0000 0.0000 0.1764 ( 1340 PWs) bands (ev): -9.2688 -9.2688 -6.9633 -6.9633 -0.7335 -0.7335 4.4726 4.4726 10.3369 10.3369 12.0283 12.0283 k = 0.0000 0.0000 0.1857 ( 1334 PWs) bands (ev): -9.2189 -9.2189 -7.0753 -7.0753 -0.5507 -0.5507 4.3017 4.3017 10.4000 10.4000 12.0381 12.0381 k = 0.0000 0.0000 0.1950 ( 1322 PWs) bands (ev): -9.1664 -9.1664 -7.1855 -7.1855 -0.3666 -0.3666 4.1279 4.1279 10.4658 10.4658 12.0380 12.0380 k = 0.0000 0.0000 0.2042 ( 1334 PWs) bands (ev): -9.1115 -9.1115 -7.2939 -7.2939 -0.1813 -0.1813 3.9513 3.9513 10.5342 10.5342 12.0278 12.0278 k = 0.0000 0.0000 0.2135 ( 1334 PWs) bands (ev): -9.0541 -9.0541 -7.4003 -7.4003 0.0053 0.0053 3.7725 3.7725 10.6051 10.6051 12.0076 12.0076 k = 0.0000 0.0000 0.2228 ( 1346 PWs) bands (ev): -8.9942 -8.9942 -7.5047 -7.5047 0.1928 0.1928 3.5913 3.5913 10.6783 10.6783 11.9777 11.9777 k = 0.0000 0.0000 0.2321 ( 1346 PWs) bands (ev): -8.9319 -8.9319 -7.6069 -7.6069 0.3811 0.3811 3.4086 3.4086 10.7537 10.7537 11.9387 11.9387 k = 0.0000 0.0000 0.2414 ( 1346 PWs) bands (ev): -8.8670 -8.8670 -7.7070 -7.7070 0.5702 0.5702 3.2243 3.2243 10.8311 10.8311 11.8913 11.8913 k = 0.0000 0.0000 0.2507 ( 1346 PWs) bands (ev): -8.7997 -8.7997 -7.8049 -7.8049 0.7599 0.7599 3.0387 3.0387 10.9102 10.9102 11.8364 11.8364 k = 0.0000 0.0000 0.2599 ( 1334 PWs) bands (ev): -8.7298 -8.7298 -7.9004 -7.9004 0.9503 0.9503 2.8517 2.8517 10.9908 10.9908 11.7750 11.7750 k = 0.0000 0.0000 0.2692 ( 1328 PWs) bands (ev): -8.6576 -8.6576 -7.9939 -7.9939 1.1412 1.1412 2.6638 2.6638 11.0724 11.0724 11.7078 11.7078 k = 0.0000 0.0000 0.2785 ( 1334 PWs) bands (ev): -8.5830 -8.5830 -8.0851 -8.0851 1.3320 1.3320 2.4749 2.4749 11.1548 11.1548 11.6360 11.6360 k = 0.0000 0.0000 0.2878 ( 1340 PWs) bands (ev): -8.5060 -8.5060 -8.1740 -8.1740 1.5230 1.5230 2.2853 2.2853 11.2374 11.2374 11.5605 11.5605 k = 0.0000 0.0000 0.2971 ( 1340 PWs) bands (ev): -8.4266 -8.4266 -8.2605 -8.2605 1.7139 1.7139 2.0952 2.0952 11.3199 11.3199 11.4821 11.4821 k = 0.0000 0.0000 0.3064 ( 1340 PWs) bands (ev): -8.3448 -8.3448 -8.3447 -8.3447 1.9047 1.9047 1.9047 1.9047 11.4017 11.4017 11.4017 11.4017 k = 0.0000 0.0000 0.3064 ( 1340 PWs) bands (ev): -8.3448 -8.3448 -8.3447 -8.3447 1.9047 1.9047 1.9047 1.9047 11.4017 11.4017 11.4017 11.4017 k = 0.0082 0.0047 0.3064 ( 1348 PWs) bands (ev): -8.3437 -8.3437 -8.3437 -8.3437 1.9045 1.9045 1.9046 1.9046 11.3945 11.3946 11.3946 11.3946 k = 0.0164 0.0095 0.3064 ( 1352 PWs) bands (ev): -8.3406 -8.3406 -8.3405 -8.3405 1.9041 1.9041 1.9042 1.9042 11.3733 11.3733 11.3733 11.3733 k = 0.0246 0.0142 0.3064 ( 1350 PWs) bands (ev): -8.3353 -8.3353 -8.3352 -8.3352 1.9036 1.9036 1.9036 1.9036 11.3384 11.3384 11.3384 11.3384 k = 0.0328 0.0189 0.3064 ( 1350 PWs) bands (ev): -8.3278 -8.3278 -8.3277 -8.3277 1.9028 1.9028 1.9028 1.9028 11.2903 11.2903 11.2903 11.2903 k = 0.0410 0.0237 0.3064 ( 1344 PWs) bands (ev): -8.3182 -8.3182 -8.3181 -8.3181 1.9017 1.9017 1.9017 1.9017 11.2299 11.2299 11.2299 11.2299 k = 0.0492 0.0284 0.3064 ( 1340 PWs) bands (ev): -8.3066 -8.3066 -8.3065 -8.3065 1.9003 1.9003 1.9004 1.9004 11.1580 11.1580 11.1580 11.1580 k = 0.0574 0.0331 0.3064 ( 1340 PWs) bands (ev): -8.2928 -8.2928 -8.2927 -8.2927 1.8985 1.8985 1.8986 1.8986 11.0756 11.0756 11.0756 11.0756 k = 0.0656 0.0379 0.3064 ( 1344 PWs) bands (ev): -8.2769 -8.2769 -8.2769 -8.2769 1.8963 1.8963 1.8963 1.8963 10.9838 10.9838 10.9838 10.9838 k = 0.0738 0.0426 0.3064 ( 1344 PWs) bands (ev): -8.2590 -8.2590 -8.2589 -8.2589 1.8936 1.8936 1.8937 1.8937 10.8834 10.8834 10.8835 10.8835 k = 0.0820 0.0473 0.3064 ( 1348 PWs) bands (ev): -8.2390 -8.2390 -8.2390 -8.2390 1.8903 1.8903 1.8904 1.8904 10.7756 10.7756 10.7756 10.7756 k = 0.0902 0.0521 0.3064 ( 1348 PWs) bands (ev): -8.2170 -8.2170 -8.2169 -8.2169 1.8864 1.8864 1.8865 1.8865 10.6613 10.6613 10.6613 10.6613 k = 0.0984 0.0568 0.3064 ( 1348 PWs) bands (ev): -8.1929 -8.1929 -8.1929 -8.1929 1.8818 1.8818 1.8819 1.8819 10.5414 10.5414 10.5414 10.5414 k = 0.1066 0.0615 0.3064 ( 1348 PWs) bands (ev): -8.1669 -8.1669 -8.1668 -8.1668 1.8764 1.8764 1.8765 1.8765 10.4166 10.4166 10.4166 10.4166 k = 0.1148 0.0663 0.3064 ( 1348 PWs) bands (ev): -8.1388 -8.1388 -8.1387 -8.1387 1.8701 1.8701 1.8702 1.8702 10.2879 10.2879 10.2879 10.2879 k = 0.1230 0.0710 0.3064 ( 1348 PWs) bands (ev): -8.1088 -8.1088 -8.1087 -8.1087 1.8628 1.8628 1.8628 1.8628 10.1559 10.1559 10.1559 10.1559 k = 0.1311 0.0757 0.3064 ( 1350 PWs) bands (ev): -8.0768 -8.0768 -8.0768 -8.0768 1.8542 1.8542 1.8543 1.8543 10.0213 10.0213 10.0214 10.0214 k = 0.1393 0.0805 0.3064 ( 1346 PWs) bands (ev): -8.0430 -8.0430 -8.0429 -8.0429 1.8445 1.8445 1.8446 1.8446 9.8849 9.8849 9.8849 9.8849 k = 0.1475 0.0852 0.3064 ( 1342 PWs) bands (ev): -8.0072 -8.0072 -8.0072 -8.0072 1.8334 1.8334 1.8335 1.8335 9.7472 9.7472 9.7472 9.7472 k = 0.1557 0.0899 0.3064 ( 1342 PWs) bands (ev): -7.9697 -7.9697 -7.9696 -7.9696 1.8208 1.8208 1.8209 1.8209 9.6088 9.6088 9.6088 9.6088 k = 0.1639 0.0946 0.3064 ( 1346 PWs) bands (ev): -7.9304 -7.9304 -7.9304 -7.9304 1.8066 1.8066 1.8066 1.8066 9.4703 9.4703 9.4703 9.4703 k = 0.1721 0.0994 0.3064 ( 1346 PWs) bands (ev): -7.8893 -7.8893 -7.8893 -7.8893 1.7905 1.7905 1.7906 1.7906 9.3321 9.3321 9.3322 9.3322 k = 0.1803 0.1041 0.3064 ( 1350 PWs) bands (ev): -7.8466 -7.8466 -7.8465 -7.8465 1.7725 1.7725 1.7726 1.7726 9.1949 9.1949 9.1949 9.1949 k = 0.1885 0.1088 0.3064 ( 1350 PWs) bands (ev): -7.8022 -7.8022 -7.8021 -7.8021 1.7525 1.7525 1.7526 1.7526 9.0590 9.0590 9.0590 9.0590 k = 0.1967 0.1136 0.3064 ( 1350 PWs) bands (ev): -7.7562 -7.7562 -7.7561 -7.7561 1.7303 1.7303 1.7304 1.7304 8.9249 8.9249 8.9250 8.9250 k = 0.2049 0.1183 0.3064 ( 1350 PWs) bands (ev): -7.7086 -7.7086 -7.7086 -7.7086 1.7058 1.7058 1.7059 1.7059 8.7931 8.7931 8.7932 8.7932 k = 0.2131 0.1230 0.3064 ( 1350 PWs) bands (ev): -7.6596 -7.6596 -7.6595 -7.6595 1.6789 1.6789 1.6790 1.6790 8.6640 8.6640 8.6640 8.6640 k = 0.2213 0.1278 0.3064 ( 1350 PWs) bands (ev): -7.6091 -7.6091 -7.6091 -7.6091 1.6495 1.6495 1.6496 1.6496 8.5378 8.5378 8.5379 8.5379 k = 0.2295 0.1325 0.3064 ( 1352 PWs) bands (ev): -7.5574 -7.5574 -7.5573 -7.5573 1.6175 1.6175 1.6175 1.6175 8.4150 8.4150 8.4151 8.4151 k = 0.2377 0.1372 0.3064 ( 1350 PWs) bands (ev): -7.5044 -7.5044 -7.5043 -7.5043 1.5828 1.5828 1.5829 1.5829 8.2959 8.2959 8.2959 8.2959 k = 0.2459 0.1420 0.3064 ( 1346 PWs) bands (ev): -7.4502 -7.4502 -7.4501 -7.4501 1.5455 1.5455 1.5455 1.5455 8.1807 8.1807 8.1808 8.1808 k = 0.2541 0.1467 0.3064 ( 1346 PWs) bands (ev): -7.3949 -7.3949 -7.3949 -7.3949 1.5053 1.5053 1.5054 1.5054 8.0697 8.0697 8.0698 8.0698 k = 0.2623 0.1514 0.3064 ( 1350 PWs) bands (ev): -7.3387 -7.3387 -7.3386 -7.3386 1.4624 1.4624 1.4625 1.4625 7.9631 7.9631 7.9632 7.9632 k = 0.2705 0.1562 0.3064 ( 1350 PWs) bands (ev): -7.2816 -7.2816 -7.2815 -7.2815 1.4168 1.4168 1.4169 1.4169 7.8611 7.8611 7.8611 7.8611 k = 0.2787 0.1609 0.3064 ( 1356 PWs) bands (ev): -7.2238 -7.2238 -7.2237 -7.2237 1.3686 1.3686 1.3687 1.3687 7.7637 7.7637 7.7637 7.7637 k = 0.2869 0.1656 0.3064 ( 1360 PWs) bands (ev): -7.1653 -7.1653 -7.1652 -7.1652 1.3179 1.3179 1.3179 1.3179 7.6711 7.6711 7.6711 7.6711 k = 0.2951 0.1704 0.3064 ( 1358 PWs) bands (ev): -7.1063 -7.1063 -7.1062 -7.1062 1.2648 1.2648 1.2649 1.2649 7.5834 7.5834 7.5834 7.5834 k = 0.3033 0.1751 0.3064 ( 1358 PWs) bands (ev): -7.0469 -7.0469 -7.0468 -7.0468 1.2095 1.2095 1.2096 1.2096 7.5005 7.5005 7.5006 7.5006 k = 0.3115 0.1798 0.3064 ( 1358 PWs) bands (ev): -6.9873 -6.9873 -6.9873 -6.9873 1.1522 1.1522 1.1523 1.1523 7.4225 7.4225 7.4226 7.4226 k = 0.3197 0.1846 0.3064 ( 1358 PWs) bands (ev): -6.9277 -6.9277 -6.9277 -6.9277 1.0931 1.0931 1.0932 1.0932 7.3494 7.3494 7.3494 7.3494 k = 0.3279 0.1893 0.3064 ( 1358 PWs) bands (ev): -6.8683 -6.8683 -6.8682 -6.8682 1.0326 1.0326 1.0326 1.0326 7.2809 7.2809 7.2810 7.2810 k = 0.3361 0.1940 0.3064 ( 1358 PWs) bands (ev): -6.8091 -6.8091 -6.8090 -6.8090 0.9709 0.9709 0.9709 0.9709 7.2172 7.2172 7.2172 7.2172 k = 0.3443 0.1988 0.3064 ( 1362 PWs) bands (ev): -6.7505 -6.7505 -6.7504 -6.7504 0.9083 0.9083 0.9083 0.9083 7.1579 7.1579 7.1579 7.1579 k = 0.3525 0.2035 0.3064 ( 1366 PWs) bands (ev): -6.6926 -6.6926 -6.6925 -6.6925 0.8452 0.8452 0.8453 0.8453 7.1030 7.1030 7.1031 7.1031 k = 0.3607 0.2082 0.3064 ( 1370 PWs) bands (ev): -6.6356 -6.6356 -6.6355 -6.6355 0.7820 0.7820 0.7821 0.7821 7.0524 7.0524 7.0524 7.0524 k = 0.3689 0.2130 0.3064 ( 1370 PWs) bands (ev): -6.5798 -6.5798 -6.5797 -6.5797 0.7192 0.7192 0.7193 0.7193 7.0058 7.0058 7.0059 7.0059 k = 0.3770 0.2177 0.3064 ( 1376 PWs) bands (ev): -6.5254 -6.5254 -6.5254 -6.5254 0.6571 0.6571 0.6572 0.6572 6.9632 6.9632 6.9632 6.9632 k = 0.3852 0.2224 0.3064 ( 1368 PWs) bands (ev): -6.4727 -6.4727 -6.4726 -6.4726 0.5962 0.5962 0.5963 0.5963 6.9243 6.9243 6.9244 6.9244 k = 0.3934 0.2272 0.3064 ( 1368 PWs) bands (ev): -6.4220 -6.4220 -6.4219 -6.4219 0.5370 0.5370 0.5370 0.5370 6.8890 6.8890 6.8890 6.8890 k = 0.4016 0.2319 0.3064 ( 1360 PWs) bands (ev): -6.3734 -6.3734 -6.3733 -6.3733 0.4798 0.4798 0.4798 0.4798 6.8570 6.8570 6.8571 6.8571 k = 0.4098 0.2366 0.3064 ( 1360 PWs) bands (ev): -6.3274 -6.3274 -6.3273 -6.3273 0.4251 0.4251 0.4251 0.4251 6.8283 6.8283 6.8284 6.8284 k = 0.4180 0.2414 0.3064 ( 1360 PWs) bands (ev): -6.2841 -6.2841 -6.2841 -6.2841 0.3733 0.3733 0.3734 0.3734 6.8026 6.8026 6.8027 6.8027 k = 0.4262 0.2461 0.3064 ( 1354 PWs) bands (ev): -6.2439 -6.2439 -6.2439 -6.2439 0.3250 0.3250 0.3250 0.3250 6.7799 6.7799 6.7800 6.7800 k = 0.4344 0.2508 0.3064 ( 1358 PWs) bands (ev): -6.2071 -6.2071 -6.2071 -6.2071 0.2804 0.2804 0.2805 0.2805 6.7599 6.7599 6.7600 6.7600 k = 0.4426 0.2555 0.3064 ( 1358 PWs) bands (ev): -6.1739 -6.1739 -6.1738 -6.1738 0.2401 0.2401 0.2401 0.2401 6.7426 6.7426 6.7427 6.7427 k = 0.4508 0.2603 0.3064 ( 1358 PWs) bands (ev): -6.1445 -6.1445 -6.1444 -6.1444 0.2043 0.2043 0.2043 0.2043 6.7278 6.7278 6.7279 6.7279 k = 0.4590 0.2650 0.3064 ( 1358 PWs) bands (ev): -6.1192 -6.1192 -6.1192 -6.1192 0.1734 0.1734 0.1734 0.1734 6.7155 6.7155 6.7156 6.7156 k = 0.4672 0.2697 0.3064 ( 1358 PWs) bands (ev): -6.0982 -6.0982 -6.0982 -6.0982 0.1476 0.1476 0.1477 0.1477 6.7055 6.7055 6.7056 6.7056 k = 0.4754 0.2745 0.3064 ( 1358 PWs) bands (ev): -6.0817 -6.0817 -6.0816 -6.0816 0.1274 0.1274 0.1274 0.1274 6.6978 6.6978 6.6979 6.6979 k = 0.4836 0.2792 0.3064 ( 1354 PWs) bands (ev): -6.0697 -6.0697 -6.0697 -6.0697 0.1128 0.1128 0.1128 0.1128 6.6924 6.6924 6.6925 6.6925 k = 0.4918 0.2839 0.3064 ( 1354 PWs) bands (ev): -6.0625 -6.0625 -6.0625 -6.0625 0.1040 0.1040 0.1040 0.1040 6.6891 6.6891 6.6892 6.6892 k = 0.5000 0.2887 0.3064 ( 1352 PWs) bands (ev): -6.0601 -6.0601 -6.0601 -6.0601 0.1010 0.1010 0.1010 0.1010 6.6881 6.6881 6.6881 6.6881 k = 0.5000 0.2887 0.3064 ( 1352 PWs) bands (ev): -6.0601 -6.0601 -6.0601 -6.0601 0.1010 0.1010 0.1010 0.1010 6.6881 6.6881 6.6881 6.6881 k = 0.4952 0.2969 0.3064 ( 1356 PWs) bands (ev): -6.0596 -6.0596 -6.0595 -6.0595 0.1016 0.1016 0.1017 0.1017 6.6855 6.6855 6.6855 6.6855 k = 0.4905 0.3052 0.3064 ( 1356 PWs) bands (ev): -6.0579 -6.0579 -6.0578 -6.0578 0.1036 0.1036 0.1036 0.1036 6.6777 6.6777 6.6777 6.6777 k = 0.4857 0.3134 0.3064 ( 1356 PWs) bands (ev): -6.0550 -6.0550 -6.0550 -6.0550 0.1067 0.1067 0.1068 0.1068 6.6646 6.6646 6.6647 6.6647 k = 0.4810 0.3217 0.3064 ( 1356 PWs) bands (ev): -6.0510 -6.0510 -6.0509 -6.0509 0.1111 0.1111 0.1112 0.1112 6.6462 6.6462 6.6463 6.6463 k = 0.4762 0.3299 0.3064 ( 1360 PWs) bands (ev): -6.0459 -6.0459 -6.0458 -6.0458 0.1168 0.1168 0.1168 0.1168 6.6224 6.6224 6.6225 6.6225 k = 0.4714 0.3382 0.3064 ( 1364 PWs) bands (ev): -6.0397 -6.0397 -6.0397 -6.0397 0.1236 0.1236 0.1236 0.1236 6.5932 6.5932 6.5932 6.5932 k = 0.4667 0.3464 0.3064 ( 1360 PWs) bands (ev): -6.0324 -6.0324 -6.0324 -6.0324 0.1315 0.1315 0.1315 0.1315 6.5584 6.5584 6.5584 6.5584 k = 0.4619 0.3547 0.3064 ( 1360 PWs) bands (ev): -6.0241 -6.0241 -6.0241 -6.0241 0.1405 0.1405 0.1406 0.1406 6.5180 6.5180 6.5181 6.5181 k = 0.4571 0.3629 0.3064 ( 1356 PWs) bands (ev): -6.0147 -6.0147 -6.0147 -6.0147 0.1506 0.1506 0.1506 0.1506 6.4721 6.4721 6.4721 6.4721 k = 0.4524 0.3712 0.3064 ( 1356 PWs) bands (ev): -6.0045 -6.0045 -6.0045 -6.0045 0.1616 0.1616 0.1616 0.1616 6.4206 6.4206 6.4207 6.4207 k = 0.4476 0.3794 0.3064 ( 1354 PWs) bands (ev): -5.9934 -5.9934 -5.9934 -5.9934 0.1734 0.1734 0.1734 0.1734 6.3638 6.3638 6.3639 6.3639 k = 0.4429 0.3876 0.3064 ( 1358 PWs) bands (ev): -5.9814 -5.9814 -5.9814 -5.9814 0.1860 0.1860 0.1860 0.1860 6.3019 6.3019 6.3019 6.3019 k = 0.4381 0.3959 0.3064 ( 1358 PWs) bands (ev): -5.9686 -5.9686 -5.9686 -5.9686 0.1993 0.1993 0.1993 0.1993 6.2352 6.2352 6.2352 6.2352 k = 0.4333 0.4041 0.3064 ( 1358 PWs) bands (ev): -5.9552 -5.9552 -5.9551 -5.9551 0.2131 0.2131 0.2131 0.2131 6.1641 6.1641 6.1642 6.1642 k = 0.4286 0.4124 0.3064 ( 1358 PWs) bands (ev): -5.9410 -5.9410 -5.9410 -5.9410 0.2274 0.2274 0.2274 0.2274 6.0892 6.0892 6.0893 6.0893 k = 0.4238 0.4206 0.3064 ( 1362 PWs) bands (ev): -5.9264 -5.9264 -5.9264 -5.9264 0.2419 0.2419 0.2420 0.2420 6.0112 6.0112 6.0113 6.0113 k = 0.4190 0.4289 0.3064 ( 1362 PWs) bands (ev): -5.9112 -5.9112 -5.9112 -5.9112 0.2567 0.2567 0.2567 0.2567 5.9307 5.9307 5.9308 5.9308 k = 0.4143 0.4371 0.3064 ( 1362 PWs) bands (ev): -5.8957 -5.8957 -5.8957 -5.8957 0.2715 0.2715 0.2715 0.2715 5.8485 5.8485 5.8486 5.8486 k = 0.4095 0.4454 0.3064 ( 1362 PWs) bands (ev): -5.8799 -5.8799 -5.8799 -5.8799 0.2861 0.2861 0.2862 0.2862 5.7655 5.7655 5.7655 5.7655 k = 0.4048 0.4536 0.3064 ( 1362 PWs) bands (ev): -5.8639 -5.8639 -5.8639 -5.8639 0.3005 0.3005 0.3005 0.3005 5.6824 5.6824 5.6825 5.6825 k = 0.4000 0.4619 0.3064 ( 1366 PWs) bands (ev): -5.8479 -5.8479 -5.8479 -5.8479 0.3145 0.3145 0.3145 0.3145 5.6001 5.6001 5.6002 5.6002 k = 0.3952 0.4701 0.3064 ( 1364 PWs) bands (ev): -5.8319 -5.8319 -5.8319 -5.8319 0.3279 0.3279 0.3279 0.3279 5.5195 5.5195 5.5196 5.5196 k = 0.3905 0.4784 0.3064 ( 1368 PWs) bands (ev): -5.8161 -5.8161 -5.8161 -5.8161 0.3405 0.3405 0.3405 0.3405 5.4414 5.4414 5.4415 5.4415 k = 0.3857 0.4866 0.3064 ( 1368 PWs) bands (ev): -5.8007 -5.8007 -5.8007 -5.8007 0.3523 0.3523 0.3523 0.3523 5.3665 5.3665 5.3666 5.3666 k = 0.3810 0.4949 0.3064 ( 1368 PWs) bands (ev): -5.7858 -5.7858 -5.7857 -5.7857 0.3630 0.3630 0.3630 0.3630 5.2957 5.2957 5.2958 5.2958 k = 0.3762 0.5031 0.3064 ( 1364 PWs) bands (ev): -5.7714 -5.7714 -5.7714 -5.7714 0.3727 0.3727 0.3727 0.3727 5.2295 5.2295 5.2296 5.2296 k = 0.3714 0.5114 0.3064 ( 1364 PWs) bands (ev): -5.7579 -5.7579 -5.7579 -5.7579 0.3812 0.3812 0.3812 0.3812 5.1687 5.1687 5.1688 5.1688 k = 0.3667 0.5196 0.3064 ( 1364 PWs) bands (ev): -5.7453 -5.7453 -5.7453 -5.7453 0.3884 0.3884 0.3884 0.3884 5.1137 5.1137 5.1138 5.1138 k = 0.3619 0.5279 0.3064 ( 1364 PWs) bands (ev): -5.7339 -5.7339 -5.7339 -5.7339 0.3943 0.3943 0.3944 0.3944 5.0652 5.0652 5.0652 5.0652 k = 0.3571 0.5361 0.3064 ( 1360 PWs) bands (ev): -5.7237 -5.7237 -5.7237 -5.7237 0.3991 0.3991 0.3991 0.3991 5.0234 5.0234 5.0235 5.0235 k = 0.3524 0.5444 0.3064 ( 1360 PWs) bands (ev): -5.7150 -5.7150 -5.7150 -5.7150 0.4026 0.4026 0.4026 0.4026 4.9888 4.9888 4.9889 4.9889 k = 0.3476 0.5526 0.3064 ( 1364 PWs) bands (ev): -5.7080 -5.7080 -5.7080 -5.7080 0.4050 0.4050 0.4050 0.4050 4.9617 4.9617 4.9617 4.9617 k = 0.3429 0.5609 0.3064 ( 1352 PWs) bands (ev): -5.7027 -5.7027 -5.7027 -5.7027 0.4065 0.4065 0.4065 0.4065 4.9422 4.9422 4.9423 4.9423 k = 0.3381 0.5691 0.3064 ( 1352 PWs) bands (ev): -5.6994 -5.6994 -5.6994 -5.6994 0.4072 0.4072 0.4072 0.4072 4.9304 4.9304 4.9305 4.9305 k = 0.3333 0.5774 0.3064 ( 1356 PWs) bands (ev): -5.6984 -5.6984 -5.6984 -5.6984 0.4074 0.4074 0.4074 0.4074 4.9265 4.9265 4.9266 4.9266 k = 0.3333 0.5774 0.3064 ( 1356 PWs) bands (ev): -5.6984 -5.6984 -5.6984 -5.6984 0.4074 0.4074 0.4074 0.4074 4.9265 4.9265 4.9266 4.9266 k = 0.3286 0.5691 0.3064 ( 1356 PWs) bands (ev): -5.6995 -5.6995 -5.6995 -5.6995 0.4073 0.4073 0.4073 0.4073 4.9304 4.9304 4.9305 4.9305 k = 0.3238 0.5609 0.3064 ( 1356 PWs) bands (ev): -5.7031 -5.7031 -5.7031 -5.7031 0.4072 0.4072 0.4072 0.4072 4.9421 4.9421 4.9421 4.9421 k = 0.3190 0.5526 0.3064 ( 1362 PWs) bands (ev): -5.7094 -5.7094 -5.7094 -5.7094 0.4075 0.4075 0.4075 0.4075 4.9613 4.9613 4.9614 4.9614 k = 0.3143 0.5444 0.3064 ( 1366 PWs) bands (ev): -5.7183 -5.7183 -5.7183 -5.7183 0.4083 0.4083 0.4084 0.4084 4.9880 4.9880 4.9881 4.9881 k = 0.3095 0.5361 0.3064 ( 1366 PWs) bands (ev): -5.7301 -5.7301 -5.7301 -5.7301 0.4102 0.4102 0.4102 0.4102 5.0219 5.0219 5.0220 5.0220 k = 0.3048 0.5279 0.3064 ( 1362 PWs) bands (ev): -5.7447 -5.7447 -5.7446 -5.7446 0.4134 0.4134 0.4134 0.4134 5.0628 5.0628 5.0629 5.0629 k = 0.3000 0.5196 0.3064 ( 1362 PWs) bands (ev): -5.7623 -5.7623 -5.7622 -5.7622 0.4181 0.4181 0.4181 0.4181 5.1105 5.1105 5.1105 5.1105 k = 0.2952 0.5114 0.3064 ( 1358 PWs) bands (ev): -5.7828 -5.7828 -5.7828 -5.7828 0.4247 0.4247 0.4247 0.4247 5.1645 5.1645 5.1646 5.1646 k = 0.2905 0.5031 0.3064 ( 1358 PWs) bands (ev): -5.8065 -5.8065 -5.8065 -5.8065 0.4334 0.4334 0.4334 0.4334 5.2247 5.2247 5.2248 5.2248 k = 0.2857 0.4949 0.3064 ( 1358 PWs) bands (ev): -5.8332 -5.8332 -5.8331 -5.8331 0.4444 0.4444 0.4444 0.4444 5.2908 5.2908 5.2908 5.2908 k = 0.2810 0.4866 0.3064 ( 1358 PWs) bands (ev): -5.8629 -5.8629 -5.8628 -5.8628 0.4578 0.4578 0.4579 0.4579 5.3623 5.3623 5.3624 5.3624 k = 0.2762 0.4784 0.3064 ( 1362 PWs) bands (ev): -5.8956 -5.8956 -5.8955 -5.8955 0.4739 0.4739 0.4739 0.4739 5.4391 5.4391 5.4391 5.4391 k = 0.2714 0.4701 0.3064 ( 1362 PWs) bands (ev): -5.9311 -5.9311 -5.9311 -5.9311 0.4926 0.4926 0.4927 0.4927 5.5207 5.5207 5.5208 5.5208 k = 0.2667 0.4619 0.3064 ( 1360 PWs) bands (ev): -5.9695 -5.9695 -5.9694 -5.9694 0.5142 0.5142 0.5142 0.5142 5.6069 5.6069 5.6069 5.6069 k = 0.2619 0.4536 0.3064 ( 1360 PWs) bands (ev): -6.0105 -6.0105 -6.0105 -6.0105 0.5385 0.5385 0.5385 0.5385 5.6972 5.6972 5.6973 5.6973 k = 0.2571 0.4454 0.3064 ( 1356 PWs) bands (ev): -6.0541 -6.0541 -6.0541 -6.0541 0.5655 0.5655 0.5656 0.5656 5.7915 5.7915 5.7916 5.7916 k = 0.2524 0.4371 0.3064 ( 1356 PWs) bands (ev): -6.1001 -6.1001 -6.1001 -6.1001 0.5952 0.5952 0.5953 0.5953 5.8893 5.8893 5.8894 5.8894 k = 0.2476 0.4289 0.3064 ( 1352 PWs) bands (ev): -6.1484 -6.1484 -6.1484 -6.1484 0.6275 0.6275 0.6276 0.6276 5.9903 5.9903 5.9904 5.9904 k = 0.2429 0.4206 0.3064 ( 1356 PWs) bands (ev): -6.1989 -6.1989 -6.1988 -6.1988 0.6622 0.6622 0.6623 0.6623 6.0942 6.0942 6.0943 6.0943 k = 0.2381 0.4124 0.3064 ( 1356 PWs) bands (ev): -6.2512 -6.2512 -6.2512 -6.2512 0.6992 0.6992 0.6993 0.6993 6.2005 6.2005 6.2006 6.2006 k = 0.2333 0.4041 0.3064 ( 1356 PWs) bands (ev): -6.3053 -6.3053 -6.3052 -6.3052 0.7383 0.7383 0.7384 0.7384 6.3090 6.3090 6.3091 6.3091 k = 0.2286 0.3959 0.3064 ( 1360 PWs) bands (ev): -6.3610 -6.3610 -6.3610 -6.3610 0.7793 0.7793 0.7794 0.7794 6.4192 6.4192 6.4192 6.4192 k = 0.2238 0.3876 0.3064 ( 1364 PWs) bands (ev): -6.4181 -6.4181 -6.4180 -6.4180 0.8220 0.8220 0.8221 0.8221 6.5307 6.5307 6.5307 6.5307 k = 0.2190 0.3794 0.3064 ( 1364 PWs) bands (ev): -6.4763 -6.4763 -6.4763 -6.4763 0.8662 0.8662 0.8662 0.8662 6.6431 6.6431 6.6432 6.6432 k = 0.2143 0.3712 0.3064 ( 1364 PWs) bands (ev): -6.5356 -6.5356 -6.5356 -6.5356 0.9115 0.9115 0.9115 0.9115 6.7561 6.7561 6.7561 6.7561 k = 0.2095 0.3629 0.3064 ( 1364 PWs) bands (ev): -6.5957 -6.5957 -6.5957 -6.5957 0.9578 0.9578 0.9578 0.9578 6.8692 6.8692 6.8692 6.8692 k = 0.2048 0.3547 0.3064 ( 1360 PWs) bands (ev): -6.6565 -6.6565 -6.6565 -6.6565 1.0048 1.0048 1.0048 1.0048 6.9821 6.9821 6.9821 6.9821 k = 0.2000 0.3464 0.3064 ( 1360 PWs) bands (ev): -6.7178 -6.7178 -6.7177 -6.7177 1.0521 1.0521 1.0522 1.0522 7.0943 7.0943 7.0944 7.0944 k = 0.1952 0.3382 0.3064 ( 1356 PWs) bands (ev): -6.7794 -6.7794 -6.7793 -6.7793 1.0997 1.0997 1.0997 1.0997 7.2057 7.2057 7.2058 7.2058 k = 0.1905 0.3299 0.3064 ( 1360 PWs) bands (ev): -6.8412 -6.8412 -6.8412 -6.8412 1.1471 1.1471 1.1472 1.1472 7.3160 7.3160 7.3161 7.3161 k = 0.1857 0.3217 0.3064 ( 1360 PWs) bands (ev): -6.9030 -6.9030 -6.9030 -6.9030 1.1942 1.1942 1.1942 1.1942 7.4250 7.4250 7.4251 7.4251 k = 0.1810 0.3134 0.3064 ( 1356 PWs) bands (ev): -6.9647 -6.9647 -6.9646 -6.9646 1.2407 1.2407 1.2408 1.2408 7.5327 7.5327 7.5328 7.5328 k = 0.1762 0.3052 0.3064 ( 1356 PWs) bands (ev): -7.0261 -7.0261 -7.0260 -7.0260 1.2864 1.2864 1.2865 1.2865 7.6391 7.6391 7.6392 7.6392 k = 0.1714 0.2969 0.3064 ( 1352 PWs) bands (ev): -7.0871 -7.0871 -7.0870 -7.0870 1.3311 1.3311 1.3311 1.3311 7.7444 7.7444 7.7445 7.7445 k = 0.1667 0.2887 0.3064 ( 1352 PWs) bands (ev): -7.1476 -7.1476 -7.1475 -7.1475 1.3745 1.3745 1.3745 1.3745 7.8488 7.8488 7.8488 7.8488 k = 0.1619 0.2804 0.3064 ( 1352 PWs) bands (ev): -7.2075 -7.2075 -7.2074 -7.2074 1.4164 1.4164 1.4165 1.4165 7.9526 7.9526 7.9527 7.9527 k = 0.1571 0.2722 0.3064 ( 1352 PWs) bands (ev): -7.2665 -7.2665 -7.2665 -7.2665 1.4568 1.4568 1.4569 1.4569 8.0563 8.0563 8.0563 8.0563 k = 0.1524 0.2639 0.3064 ( 1356 PWs) bands (ev): -7.3248 -7.3248 -7.3247 -7.3247 1.4955 1.4955 1.4956 1.4956 8.1601 8.1601 8.1601 8.1601 k = 0.1476 0.2557 0.3064 ( 1348 PWs) bands (ev): -7.3820 -7.3820 -7.3819 -7.3819 1.5324 1.5324 1.5325 1.5325 8.2646 8.2646 8.2646 8.2646 k = 0.1429 0.2474 0.3064 ( 1348 PWs) bands (ev): -7.4382 -7.4382 -7.4381 -7.4381 1.5674 1.5674 1.5674 1.5674 8.3701 8.3701 8.3701 8.3701 k = 0.1381 0.2392 0.3064 ( 1344 PWs) bands (ev): -7.4933 -7.4933 -7.4932 -7.4932 1.6004 1.6004 1.6005 1.6005 8.4770 8.4770 8.4770 8.4770 k = 0.1333 0.2309 0.3064 ( 1342 PWs) bands (ev): -7.5471 -7.5471 -7.5470 -7.5470 1.6314 1.6314 1.6314 1.6314 8.5855 8.5855 8.5855 8.5855 k = 0.1286 0.2227 0.3064 ( 1342 PWs) bands (ev): -7.5996 -7.5996 -7.5995 -7.5995 1.6603 1.6603 1.6603 1.6603 8.6960 8.6960 8.6960 8.6960 k = 0.1238 0.2144 0.3064 ( 1338 PWs) bands (ev): -7.6508 -7.6508 -7.6507 -7.6507 1.6872 1.6872 1.6873 1.6873 8.8086 8.8086 8.8087 8.8087 k = 0.1190 0.2062 0.3064 ( 1338 PWs) bands (ev): -7.7005 -7.7005 -7.7004 -7.7004 1.7120 1.7120 1.7121 1.7121 8.9235 8.9235 8.9235 8.9235 k = 0.1143 0.1979 0.3064 ( 1338 PWs) bands (ev): -7.7487 -7.7487 -7.7486 -7.7486 1.7348 1.7348 1.7349 1.7349 9.0407 9.0407 9.0407 9.0407 k = 0.1095 0.1897 0.3064 ( 1342 PWs) bands (ev): -7.7953 -7.7953 -7.7952 -7.7952 1.7556 1.7556 1.7557 1.7557 9.1601 9.1601 9.1601 9.1601 k = 0.1048 0.1815 0.3064 ( 1350 PWs) bands (ev): -7.8404 -7.8404 -7.8403 -7.8403 1.7746 1.7746 1.7747 1.7747 9.2816 9.2816 9.2816 9.2816 k = 0.1000 0.1732 0.3064 ( 1346 PWs) bands (ev): -7.8837 -7.8837 -7.8836 -7.8836 1.7918 1.7918 1.7919 1.7919 9.4051 9.4051 9.4052 9.4052 k = 0.0952 0.1650 0.3064 ( 1338 PWs) bands (ev): -7.9253 -7.9253 -7.9252 -7.9252 1.8074 1.8074 1.8075 1.8075 9.5304 9.5304 9.5304 9.5304 k = 0.0905 0.1567 0.3064 ( 1338 PWs) bands (ev): -7.9651 -7.9651 -7.9650 -7.9650 1.8213 1.8213 1.8213 1.8213 9.6571 9.6571 9.6571 9.6571 k = 0.0857 0.1485 0.3064 ( 1338 PWs) bands (ev): -8.0031 -8.0031 -8.0030 -8.0030 1.8336 1.8336 1.8337 1.8337 9.7848 9.7848 9.7848 9.7848 k = 0.0810 0.1402 0.3064 ( 1342 PWs) bands (ev): -8.0393 -8.0393 -8.0392 -8.0392 1.8445 1.8445 1.8446 1.8446 9.9131 9.9131 9.9131 9.9131 k = 0.0762 0.1320 0.3064 ( 1346 PWs) bands (ev): -8.0735 -8.0735 -8.0734 -8.0734 1.8541 1.8541 1.8541 1.8541 10.0414 10.0414 10.0414 10.0414 k = 0.0714 0.1237 0.3064 ( 1346 PWs) bands (ev): -8.1059 -8.1059 -8.1058 -8.1058 1.8625 1.8625 1.8626 1.8626 10.1692 10.1692 10.1692 10.1692 k = 0.0667 0.1155 0.3064 ( 1342 PWs) bands (ev): -8.1362 -8.1362 -8.1361 -8.1361 1.8698 1.8698 1.8699 1.8699 10.2957 10.2957 10.2957 10.2957 k = 0.0619 0.1072 0.3064 ( 1340 PWs) bands (ev): -8.1646 -8.1646 -8.1645 -8.1645 1.8762 1.8762 1.8763 1.8763 10.4201 10.4201 10.4201 10.4201 k = 0.0571 0.0990 0.3064 ( 1344 PWs) bands (ev): -8.1910 -8.1910 -8.1909 -8.1909 1.8816 1.8816 1.8817 1.8817 10.5418 10.5418 10.5418 10.5418 k = 0.0524 0.0907 0.3064 ( 1346 PWs) bands (ev): -8.2154 -8.2154 -8.2153 -8.2153 1.8862 1.8862 1.8863 1.8863 10.6596 10.6596 10.6596 10.6596 k = 0.0476 0.0825 0.3064 ( 1342 PWs) bands (ev): -8.2377 -8.2377 -8.2376 -8.2376 1.8902 1.8902 1.8902 1.8902 10.7727 10.7727 10.7727 10.7727 k = 0.0429 0.0742 0.3064 ( 1346 PWs) bands (ev): -8.2579 -8.2579 -8.2579 -8.2579 1.8934 1.8934 1.8935 1.8935 10.8799 10.8799 10.8799 10.8799 k = 0.0381 0.0660 0.3064 ( 1344 PWs) bands (ev): -8.2761 -8.2761 -8.2760 -8.2760 1.8962 1.8962 1.8962 1.8962 10.9802 10.9802 10.9802 10.9802 k = 0.0333 0.0577 0.3064 ( 1352 PWs) bands (ev): -8.2922 -8.2922 -8.2921 -8.2921 1.8984 1.8984 1.8984 1.8984 11.0724 11.0724 11.0724 11.0724 k = 0.0286 0.0495 0.3064 ( 1348 PWs) bands (ev): -8.3061 -8.3061 -8.3060 -8.3060 1.9002 1.9002 1.9003 1.9003 11.1553 11.1553 11.1553 11.1553 k = 0.0238 0.0412 0.3064 ( 1344 PWs) bands (ev): -8.3179 -8.3179 -8.3178 -8.3178 1.9017 1.9017 1.9017 1.9017 11.2279 11.2279 11.2279 11.2279 k = 0.0190 0.0330 0.3064 ( 1346 PWs) bands (ev): -8.3276 -8.3276 -8.3275 -8.3275 1.9028 1.9028 1.9028 1.9028 11.2890 11.2890 11.2890 11.2890 k = 0.0143 0.0247 0.3064 ( 1348 PWs) bands (ev): -8.3351 -8.3351 -8.3351 -8.3351 1.9036 1.9036 1.9036 1.9036 11.3376 11.3376 11.3376 11.3376 k = 0.0095 0.0165 0.3064 ( 1352 PWs) bands (ev): -8.3405 -8.3405 -8.3404 -8.3404 1.9041 1.9041 1.9042 1.9042 11.3730 11.3730 11.3730 11.3730 k = 0.0048 0.0082 0.3064 ( 1352 PWs) bands (ev): -8.3438 -8.3438 -8.3437 -8.3437 1.9045 1.9045 1.9045 1.9045 11.3944 11.3944 11.3944 11.3944 k = 0.0000 0.0000 0.3064 ( 1340 PWs) bands (ev): -8.3448 -8.3448 -8.3447 -8.3447 1.9047 1.9047 1.9047 1.9047 11.4017 11.4017 11.4017 11.4017 k = 0.5000 0.2887 0.3064 ( 1352 PWs) bands (ev): -6.0601 -6.0601 -6.0601 -6.0601 0.1010 0.1010 0.1010 0.1010 6.6881 6.6881 6.6881 6.6881 k = 0.5000 0.2887 0.2971 ( 1362 PWs) bands (ev): -6.0978 -6.0978 -6.0226 -6.0226 0.0517 0.0517 0.1539 0.1539 6.5581 6.5581 6.8147 6.8147 k = 0.5000 0.2887 0.2878 ( 1362 PWs) bands (ev): -6.1353 -6.1353 -5.9850 -5.9850 0.0061 0.0061 0.2102 0.2102 6.4254 6.4254 6.9372 6.9372 k = 0.5000 0.2887 0.2785 ( 1362 PWs) bands (ev): -6.1726 -6.1726 -5.9476 -5.9476 -0.0357 -0.0357 0.2700 0.2700 6.2907 6.2907 7.0547 7.0547 k = 0.5000 0.2887 0.2692 ( 1362 PWs) bands (ev): -6.2095 -6.2095 -5.9106 -5.9106 -0.0738 -0.0738 0.3331 0.3331 6.1543 6.1543 7.1661 7.1661 k = 0.5000 0.2887 0.2599 ( 1364 PWs) bands (ev): -6.2460 -6.2460 -5.8739 -5.8739 -0.1079 -0.1079 0.3993 0.3993 6.0167 6.0167 7.2702 7.2702 k = 0.5000 0.2887 0.2507 ( 1364 PWs) bands (ev): -6.2820 -6.2820 -5.8378 -5.8378 -0.1382 -0.1382 0.4686 0.4686 5.8785 5.8785 7.3656 7.3656 k = 0.5000 0.2887 0.2414 ( 1364 PWs) bands (ev): -6.3175 -6.3175 -5.8023 -5.8023 -0.1645 -0.1645 0.5408 0.5408 5.7398 5.7398 7.4505 7.4505 k = 0.5000 0.2887 0.2321 ( 1364 PWs) bands (ev): -6.3522 -6.3522 -5.7675 -5.7675 -0.1869 -0.1869 0.6158 0.6158 5.6011 5.6011 7.5233 7.5233 k = 0.5000 0.2887 0.2228 ( 1364 PWs) bands (ev): -6.3861 -6.3861 -5.7335 -5.7335 -0.2053 -0.2053 0.6933 0.6933 5.4628 5.4628 7.5819 7.5819 k = 0.5000 0.2887 0.2135 ( 1364 PWs) bands (ev): -6.4193 -6.4193 -5.7004 -5.7004 -0.2197 -0.2197 0.7734 0.7734 5.3252 5.3252 7.6246 7.6246 k = 0.5000 0.2887 0.2042 ( 1372 PWs) bands (ev): -6.4516 -6.4516 -5.6684 -5.6684 -0.2302 -0.2302 0.8557 0.8557 5.1885 5.1885 7.6496 7.6496 k = 0.5000 0.2887 0.1950 ( 1368 PWs) bands (ev): -6.4828 -6.4828 -5.6374 -5.6374 -0.2369 -0.2369 0.9400 0.9400 5.0532 5.0532 7.6559 7.6559 k = 0.5000 0.2887 0.1857 ( 1364 PWs) bands (ev): -6.5130 -6.5130 -5.6076 -5.6076 -0.2399 -0.2399 1.0263 1.0263 4.9195 4.9195 7.6430 7.6430 k = 0.5000 0.2887 0.1764 ( 1362 PWs) bands (ev): -6.5420 -6.5420 -5.5790 -5.5790 -0.2392 -0.2392 1.1141 1.1141 4.7878 4.7878 7.6112 7.6112 k = 0.5000 0.2887 0.1671 ( 1362 PWs) bands (ev): -6.5699 -6.5699 -5.5517 -5.5517 -0.2350 -0.2350 1.2032 1.2032 4.6583 4.6583 7.5617 7.5617 k = 0.5000 0.2887 0.1578 ( 1360 PWs) bands (ev): -6.5966 -6.5966 -5.5257 -5.5257 -0.2276 -0.2276 1.2933 1.2933 4.5316 4.5316 7.4966 7.4966 k = 0.5000 0.2887 0.1485 ( 1358 PWs) bands (ev): -6.6221 -6.6221 -5.5012 -5.5012 -0.2170 -0.2170 1.3842 1.3842 4.4080 4.4080 7.4181 7.4181 k = 0.5000 0.2887 0.1393 ( 1358 PWs) bands (ev): -6.6462 -6.6462 -5.4781 -5.4781 -0.2036 -0.2036 1.4753 1.4753 4.2877 4.2877 7.3289 7.3289 k = 0.5000 0.2887 0.1300 ( 1358 PWs) bands (ev): -6.6689 -6.6689 -5.4565 -5.4565 -0.1877 -0.1877 1.5663 1.5663 4.1714 4.1714 7.2316 7.2316 k = 0.5000 0.2887 0.1207 ( 1356 PWs) bands (ev): -6.6902 -6.6902 -5.4363 -5.4363 -0.1695 -0.1695 1.6566 1.6566 4.0594 4.0594 7.1288 7.1288 k = 0.5000 0.2887 0.1114 ( 1356 PWs) bands (ev): -6.7101 -6.7101 -5.4177 -5.4177 -0.1496 -0.1496 1.7458 1.7458 3.9522 3.9522 7.0228 7.0228 k = 0.5000 0.2887 0.1021 ( 1360 PWs) bands (ev): -6.7286 -6.7286 -5.4006 -5.4006 -0.1283 -0.1283 1.8331 1.8331 3.8503 3.8503 6.9158 6.9158 k = 0.5000 0.2887 0.0928 ( 1354 PWs) bands (ev): -6.7455 -6.7455 -5.3850 -5.3850 -0.1060 -0.1060 1.9179 1.9179 3.7544 3.7544 6.8099 6.8099 k = 0.5000 0.2887 0.0836 ( 1350 PWs) bands (ev): -6.7609 -6.7609 -5.3709 -5.3709 -0.0833 -0.0833 1.9993 1.9993 3.6649 3.6649 6.7068 6.7068 k = 0.5000 0.2887 0.0743 ( 1354 PWs) bands (ev): -6.7747 -6.7747 -5.3584 -5.3584 -0.0608 -0.0608 2.0764 2.0764 3.5824 3.5824 6.6084 6.6084 k = 0.5000 0.2887 0.0650 ( 1354 PWs) bands (ev): -6.7870 -6.7870 -5.3474 -5.3474 -0.0389 -0.0389 2.1483 2.1483 3.5076 3.5076 6.5165 6.5165 k = 0.5000 0.2887 0.0557 ( 1354 PWs) bands (ev): -6.7976 -6.7976 -5.3379 -5.3379 -0.0185 -0.0185 2.2139 2.2139 3.4411 3.4411 6.4325 6.4325 k = 0.5000 0.2887 0.0464 ( 1354 PWs) bands (ev): -6.8067 -6.8067 -5.3298 -5.3298 0.0001 0.0001 2.2719 2.2719 3.3836 3.3836 6.3582 6.3582 k = 0.5000 0.2887 0.0371 ( 1356 PWs) bands (ev): -6.8141 -6.8141 -5.3234 -5.3234 0.0162 0.0162 2.3215 2.3215 3.3355 3.3355 6.2949 6.2949 k = 0.5000 0.2887 0.0279 ( 1356 PWs) bands (ev): -6.8199 -6.8199 -5.3183 -5.3183 0.0294 0.0294 2.3613 2.3613 3.2975 3.2975 6.2441 6.2441 k = 0.5000 0.2887 0.0186 ( 1360 PWs) bands (ev): -6.8241 -6.8241 -5.3146 -5.3146 0.0391 0.0391 2.3905 2.3905 3.2701 3.2701 6.2069 6.2069 k = 0.5000 0.2887 0.0093 ( 1360 PWs) bands (ev): -6.8266 -6.8266 -5.3125 -5.3125 0.0451 0.0451 2.4084 2.4084 3.2534 3.2534 6.1842 6.1842 k = 0.5000 0.2887-0.0000 ( 1360 PWs) bands (ev): -6.8274 -6.8274 -5.3117 -5.3117 0.0471 0.0471 2.4145 2.4145 3.2479 3.2479 6.1766 6.1766 k = 0.3333 0.5774-0.0000 ( 1362 PWs) bands (ev): -5.8276 -5.8276 -5.8276 -5.8276 1.4537 1.4537 1.4537 1.4537 3.3586 3.3586 6.4360 6.4360 k = 0.3333 0.5774 0.0093 ( 1362 PWs) bands (ev): -5.8273 -5.8273 -5.8273 -5.8273 1.4506 1.4506 1.4506 1.4506 3.3601 3.3601 6.4422 6.4422 k = 0.3333 0.5774 0.0186 ( 1371 PWs) bands (ev): -5.8265 -5.8265 -5.8265 -5.8265 1.4413 1.4413 1.4413 1.4413 3.3644 3.3644 6.4606 6.4606 k = 0.3333 0.5774 0.0279 ( 1371 PWs) bands (ev): -5.8251 -5.8251 -5.8251 -5.8251 1.4261 1.4261 1.4261 1.4261 3.3716 3.3716 6.4912 6.4912 k = 0.3333 0.5774 0.0371 ( 1371 PWs) bands (ev): -5.8232 -5.8232 -5.8232 -5.8232 1.4053 1.4053 1.4053 1.4053 3.3817 3.3817 6.5336 6.5336 k = 0.3333 0.5774 0.0464 ( 1377 PWs) bands (ev): -5.8209 -5.8209 -5.8209 -5.8209 1.3791 1.3791 1.3791 1.3791 3.3946 3.3946 6.5873 6.5873 k = 0.3333 0.5774 0.0557 ( 1380 PWs) bands (ev): -5.8179 -5.8179 -5.8179 -5.8179 1.3482 1.3482 1.3482 1.3482 3.4105 3.4105 6.6520 6.6520 k = 0.3333 0.5774 0.0650 ( 1374 PWs) bands (ev): -5.8145 -5.8145 -5.8145 -5.8145 1.3129 1.3129 1.3129 1.3129 3.4292 3.4292 6.7270 6.7270 k = 0.3333 0.5774 0.0743 ( 1377 PWs) bands (ev): -5.8106 -5.8106 -5.8106 -5.8106 1.2739 1.2739 1.2739 1.2739 3.4508 3.4508 6.8118 6.8118 k = 0.3333 0.5774 0.0836 ( 1377 PWs) bands (ev): -5.8064 -5.8064 -5.8064 -5.8064 1.2317 1.2317 1.2317 1.2317 3.4753 3.4753 6.9057 6.9057 k = 0.3333 0.5774 0.0928 ( 1377 PWs) bands (ev): -5.8017 -5.8017 -5.8017 -5.8017 1.1869 1.1869 1.1869 1.1869 3.5026 3.5026 7.0080 7.0080 k = 0.3333 0.5774 0.1021 ( 1371 PWs) bands (ev): -5.7966 -5.7966 -5.7966 -5.7966 1.1401 1.1401 1.1401 1.1401 3.5329 3.5329 7.1182 7.1182 k = 0.3333 0.5774 0.1114 ( 1359 PWs) bands (ev): -5.7912 -5.7912 -5.7912 -5.7912 1.0919 1.0919 1.0919 1.0919 3.5660 3.5660 7.2356 7.2356 k = 0.3333 0.5774 0.1207 ( 1359 PWs) bands (ev): -5.7856 -5.7856 -5.7856 -5.7856 1.0426 1.0426 1.0426 1.0426 3.6020 3.6020 7.3594 7.3594 k = 0.3333 0.5774 0.1300 ( 1359 PWs) bands (ev): -5.7798 -5.7798 -5.7798 -5.7798 0.9929 0.9929 0.9929 0.9929 3.6408 3.6408 7.2513 7.2513 k = 0.3333 0.5774 0.1393 ( 1365 PWs) bands (ev): -5.7739 -5.7739 -5.7739 -5.7739 0.9431 0.9431 0.9431 0.9431 3.6826 3.6826 7.1031 7.1031 k = 0.3333 0.5774 0.1485 ( 1359 PWs) bands (ev): -5.7678 -5.7678 -5.7678 -5.7678 0.8939 0.8939 0.8939 0.8939 3.7272 3.7272 6.9577 6.9577 k = 0.3333 0.5774 0.1578 ( 1359 PWs) bands (ev): -5.7616 -5.7616 -5.7616 -5.7616 0.8454 0.8454 0.8454 0.8454 3.7748 3.7748 6.8152 6.8152 k = 0.3333 0.5774 0.1671 ( 1362 PWs) bands (ev): -5.7555 -5.7555 -5.7555 -5.7555 0.7981 0.7981 0.7981 0.7981 3.8252 3.8252 6.6756 6.6756 k = 0.3333 0.5774 0.1764 ( 1362 PWs) bands (ev): -5.7494 -5.7494 -5.7494 -5.7494 0.7525 0.7525 0.7525 0.7525 3.8784 3.8784 6.5389 6.5389 k = 0.3333 0.5774 0.1857 ( 1362 PWs) bands (ev): -5.7434 -5.7434 -5.7434 -5.7434 0.7087 0.7087 0.7087 0.7087 3.9346 3.9346 6.4050 6.4050 k = 0.3333 0.5774 0.1950 ( 1362 PWs) bands (ev): -5.7376 -5.7376 -5.7376 -5.7376 0.6670 0.6670 0.6670 0.6670 3.9936 3.9936 6.2740 6.2740 k = 0.3333 0.5774 0.2042 ( 1362 PWs) bands (ev): -5.7320 -5.7320 -5.7320 -5.7320 0.6278 0.6278 0.6278 0.6278 4.0555 4.0555 6.1459 6.1459 k = 0.3333 0.5774 0.2135 ( 1362 PWs) bands (ev): -5.7267 -5.7267 -5.7267 -5.7267 0.5912 0.5912 0.5912 0.5912 4.1203 4.1203 6.0207 6.0207 k = 0.3333 0.5774 0.2228 ( 1362 PWs) bands (ev): -5.7217 -5.7217 -5.7217 -5.7217 0.5575 0.5575 0.5575 0.5575 4.1880 4.1880 5.8983 5.8983 k = 0.3333 0.5774 0.2321 ( 1365 PWs) bands (ev): -5.7171 -5.7171 -5.7171 -5.7171 0.5269 0.5269 0.5269 0.5269 4.2585 4.2585 5.7788 5.7788 k = 0.3333 0.5774 0.2414 ( 1365 PWs) bands (ev): -5.7129 -5.7129 -5.7129 -5.7129 0.4995 0.4995 0.4995 0.4995 4.3320 4.3320 5.6622 5.6622 k = 0.3333 0.5774 0.2507 ( 1365 PWs) bands (ev): -5.7092 -5.7092 -5.7092 -5.7092 0.4754 0.4754 0.4754 0.4754 4.4083 4.4083 5.5485 5.5485 k = 0.3333 0.5774 0.2599 ( 1365 PWs) bands (ev): -5.7060 -5.7060 -5.7060 -5.7060 0.4548 0.4548 0.4548 0.4548 4.4875 4.4875 5.4376 5.4376 k = 0.3333 0.5774 0.2692 ( 1365 PWs) bands (ev): -5.7033 -5.7033 -5.7033 -5.7033 0.4379 0.4379 0.4379 0.4379 4.5695 4.5695 5.3297 5.3297 k = 0.3333 0.5774 0.2785 ( 1362 PWs) bands (ev): -5.7011 -5.7011 -5.7011 -5.7011 0.4246 0.4246 0.4246 0.4246 4.6545 4.6545 5.2246 5.2246 k = 0.3333 0.5774 0.2878 ( 1356 PWs) bands (ev): -5.6996 -5.6996 -5.6996 -5.6996 0.4151 0.4151 0.4151 0.4151 4.7423 4.7423 5.1224 5.1224 k = 0.3333 0.5774 0.2971 ( 1350 PWs) bands (ev): -5.6986 -5.6986 -5.6986 -5.6986 0.4093 0.4093 0.4093 0.4093 4.8330 4.8330 5.0230 5.0230 k = 0.3333 0.5774 0.3064 ( 1356 PWs) bands (ev): -5.6984 -5.6984 -5.6984 -5.6984 0.4074 0.4074 0.4074 0.4074 4.9265 4.9265 4.9266 4.9266 Writing output data file H2.save init_run : 0.02s CPU 0.12s WALL ( 1 calls) electrons : 15.90s CPU 16.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 15.90s CPU 16.53s 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 0.00s WALL ( 440 calls) cegterg : 14.32s CPU 14.67s WALL ( 440 calls) Called by sum_band: Called by *egterg: h_psi : 7.78s CPU 7.89s WALL ( 5281 calls) s_psi : 0.01s CPU 0.02s WALL ( 5281 calls) g_psi : 0.02s CPU 0.02s WALL ( 4401 calls) cdiaghg : 6.25s CPU 6.66s WALL ( 4841 calls) cegterg:over : 0.47s CPU 0.42s WALL ( 4401 calls) cegterg:upda : 0.38s CPU 0.36s WALL ( 4401 calls) cegterg:last : 0.15s CPU 0.17s WALL ( 1116 calls) cdiaghg:chol : 0.43s CPU 0.42s WALL ( 4841 calls) cdiaghg:inve : 0.08s CPU 0.11s WALL ( 4841 calls) cdiaghg:para : 0.62s CPU 0.54s WALL ( 9682 calls) Called by h_psi: h_psi:vloc : 7.55s CPU 7.69s WALL ( 5281 calls) h_psi:vnl : 0.20s CPU 0.19s WALL ( 5281 calls) add_vuspsi : 0.02s CPU 0.03s WALL ( 5281 calls) General routines calbec : 0.16s CPU 0.14s WALL ( 5281 calls) fft : 0.00s CPU 0.00s WALL ( 18 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 7.24s CPU 7.30s WALL ( 171940 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.12s WALL ( 880 calls) Parallel routines fft_scatter : 3.41s CPU 3.33s WALL ( 171962 calls) PWSCF : 19.84s CPU 29.48s WALL This run was terminated on: 19:55:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=