Program PWSCF v.5.1.1 starts on 23Jul2015 at 11:35:28 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./GeH4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 15 13 4 237 177 32 Max 16 14 5 240 185 35 Sum 767 639 209 11501 8663 1571 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 6.6005 a.u. unit-cell volume = 205.6357 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 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)= 6.600548 celldm(2)= 1.000000 celldm(3)= 0.715173 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.015588 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.015588 0.999879 0.000000 ) a(3) = ( 0.000000 0.000000 0.715173 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.015590 -0.000000 ) b(2) = ( 0.000000 1.000122 -0.000000 ) b(3) = ( 0.000000 0.000000 1.398263 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /home/autes/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 Ge 4.00 72.64000 Ge( 1.00) H 1.00 1.00790 H( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 612 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016340 k( 2) = ( 0.0076926 0.0078134 -0.0000000), wk = 0.0016340 k( 3) = ( 0.0153852 0.0156269 -0.0000000), wk = 0.0016340 k( 4) = ( 0.0230778 0.0234403 -0.0000000), wk = 0.0016340 k( 5) = ( 0.0307704 0.0312538 -0.0000000), wk = 0.0016340 k( 6) = ( 0.0384630 0.0390672 -0.0000000), wk = 0.0016340 k( 7) = ( 0.0461555 0.0468807 -0.0000000), wk = 0.0016340 k( 8) = ( 0.0538481 0.0546941 -0.0000000), wk = 0.0016340 k( 9) = ( 0.0615407 0.0625076 -0.0000000), wk = 0.0016340 k( 10) = ( 0.0692333 0.0703210 -0.0000000), wk = 0.0016340 k( 11) = ( 0.0769259 0.0781345 -0.0000000), wk = 0.0016340 k( 12) = ( 0.0846185 0.0859479 -0.0000000), wk = 0.0016340 k( 13) = ( 0.0923111 0.0937614 -0.0000000), wk = 0.0016340 k( 14) = ( 0.1000037 0.1015748 -0.0000000), wk = 0.0016340 k( 15) = ( 0.1076963 0.1093883 -0.0000000), wk = 0.0016340 k( 16) = ( 0.1153889 0.1172017 -0.0000000), wk = 0.0016340 k( 17) = ( 0.1230814 0.1250152 -0.0000000), wk = 0.0016340 k( 18) = ( 0.1307740 0.1328286 -0.0000000), wk = 0.0016340 k( 19) = ( 0.1384666 0.1406421 -0.0000000), wk = 0.0016340 k( 20) = ( 0.1461592 0.1484555 -0.0000000), wk = 0.0016340 k( 21) = ( 0.1538518 0.1562690 -0.0000000), wk = 0.0016340 k( 22) = ( 0.1615444 0.1640824 -0.0000000), wk = 0.0016340 k( 23) = ( 0.1692370 0.1718959 -0.0000000), wk = 0.0016340 k( 24) = ( 0.1769296 0.1797093 -0.0000000), wk = 0.0016340 k( 25) = ( 0.1846222 0.1875228 -0.0000000), wk = 0.0016340 k( 26) = ( 0.1923148 0.1953362 -0.0000000), wk = 0.0016340 k( 27) = ( 0.2000074 0.2031497 -0.0000000), wk = 0.0016340 k( 28) = ( 0.2076999 0.2109631 -0.0000000), wk = 0.0016340 k( 29) = ( 0.2153925 0.2187766 -0.0000000), wk = 0.0016340 k( 30) = ( 0.2230851 0.2265900 -0.0000000), wk = 0.0016340 k( 31) = ( 0.2307777 0.2344035 -0.0000000), wk = 0.0016340 k( 32) = ( 0.2384703 0.2422169 -0.0000000), wk = 0.0016340 k( 33) = ( 0.2461629 0.2500304 -0.0000000), wk = 0.0016340 k( 34) = ( 0.2538555 0.2578438 -0.0000000), wk = 0.0016340 k( 35) = ( 0.2615481 0.2656573 -0.0000000), wk = 0.0016340 k( 36) = ( 0.2692407 0.2734707 -0.0000000), wk = 0.0016340 k( 37) = ( 0.2769333 0.2812842 -0.0000000), wk = 0.0016340 k( 38) = ( 0.2846258 0.2890976 -0.0000000), wk = 0.0016340 k( 39) = ( 0.2923184 0.2969111 -0.0000000), wk = 0.0016340 k( 40) = ( 0.3000110 0.3047245 -0.0000000), wk = 0.0016340 k( 41) = ( 0.3077036 0.3125380 -0.0000000), wk = 0.0016340 k( 42) = ( 0.3153962 0.3203514 -0.0000000), wk = 0.0016340 k( 43) = ( 0.3230888 0.3281649 -0.0000000), wk = 0.0016340 k( 44) = ( 0.3307814 0.3359783 -0.0000000), wk = 0.0016340 k( 45) = ( 0.3384740 0.3437918 -0.0000000), wk = 0.0016340 k( 46) = ( 0.3461666 0.3516052 -0.0000000), wk = 0.0016340 k( 47) = ( 0.3538592 0.3594187 -0.0000000), wk = 0.0016340 k( 48) = ( 0.3615518 0.3672321 -0.0000000), wk = 0.0016340 k( 49) = ( 0.3692443 0.3750456 -0.0000000), wk = 0.0016340 k( 50) = ( 0.3769369 0.3828590 -0.0000000), wk = 0.0016340 k( 51) = ( 0.3846295 0.3906725 -0.0000000), wk = 0.0016340 k( 52) = ( 0.3923221 0.3984859 -0.0000000), wk = 0.0016340 k( 53) = ( 0.4000147 0.4062994 -0.0000000), wk = 0.0016340 k( 54) = ( 0.4077073 0.4141128 -0.0000000), wk = 0.0016340 k( 55) = ( 0.4153999 0.4219263 -0.0000000), wk = 0.0016340 k( 56) = ( 0.4230925 0.4297397 -0.0000000), wk = 0.0016340 k( 57) = ( 0.4307851 0.4375532 -0.0000000), wk = 0.0016340 k( 58) = ( 0.4384776 0.4453666 -0.0000000), wk = 0.0016340 k( 59) = ( 0.4461702 0.4531801 -0.0000000), wk = 0.0016340 k( 60) = ( 0.4538628 0.4609935 -0.0000000), wk = 0.0016340 k( 61) = ( 0.4615554 0.4688070 -0.0000000), wk = 0.0016340 k( 62) = ( 0.4692480 0.4766204 -0.0000000), wk = 0.0016340 k( 63) = ( 0.4769406 0.4844339 -0.0000000), wk = 0.0016340 k( 64) = ( 0.4846332 0.4922473 -0.0000000), wk = 0.0016340 k( 65) = ( 0.4923258 0.5000608 -0.0000000), wk = 0.0016340 k( 66) = ( 0.4923258 0.5000608 -0.0000000), wk = 0.0016340 k( 67) = ( 0.4813852 0.5000608 -0.0000000), wk = 0.0016340 k( 68) = ( 0.4704446 0.5000608 -0.0000000), wk = 0.0016340 k( 69) = ( 0.4595041 0.5000608 -0.0000000), wk = 0.0016340 k( 70) = ( 0.4485635 0.5000608 -0.0000000), wk = 0.0016340 k( 71) = ( 0.4376229 0.5000608 -0.0000000), wk = 0.0016340 k( 72) = ( 0.4266823 0.5000608 -0.0000000), wk = 0.0016340 k( 73) = ( 0.4157418 0.5000608 -0.0000000), wk = 0.0016340 k( 74) = ( 0.4048012 0.5000608 -0.0000000), wk = 0.0016340 k( 75) = ( 0.3938606 0.5000608 -0.0000000), wk = 0.0016340 k( 76) = ( 0.3829201 0.5000608 -0.0000000), wk = 0.0016340 k( 77) = ( 0.3719795 0.5000608 -0.0000000), wk = 0.0016340 k( 78) = ( 0.3610389 0.5000608 -0.0000000), wk = 0.0016340 k( 79) = ( 0.3500983 0.5000608 -0.0000000), wk = 0.0016340 k( 80) = ( 0.3391578 0.5000608 -0.0000000), wk = 0.0016340 k( 81) = ( 0.3282172 0.5000608 -0.0000000), wk = 0.0016340 k( 82) = ( 0.3172766 0.5000608 -0.0000000), wk = 0.0016340 k( 83) = ( 0.3063360 0.5000608 -0.0000000), wk = 0.0016340 k( 84) = ( 0.2953955 0.5000608 -0.0000000), wk = 0.0016340 k( 85) = ( 0.2844549 0.5000608 -0.0000000), wk = 0.0016340 k( 86) = ( 0.2735143 0.5000608 -0.0000000), wk = 0.0016340 k( 87) = ( 0.2625737 0.5000608 -0.0000000), wk = 0.0016340 k( 88) = ( 0.2516332 0.5000608 -0.0000000), wk = 0.0016340 k( 89) = ( 0.2406926 0.5000608 -0.0000000), wk = 0.0016340 k( 90) = ( 0.2297520 0.5000608 -0.0000000), wk = 0.0016340 k( 91) = ( 0.2188115 0.5000608 -0.0000000), wk = 0.0016340 k( 92) = ( 0.2078709 0.5000608 -0.0000000), wk = 0.0016340 k( 93) = ( 0.1969303 0.5000608 -0.0000000), wk = 0.0016340 k( 94) = ( 0.1859897 0.5000608 -0.0000000), wk = 0.0016340 k( 95) = ( 0.1750492 0.5000608 -0.0000000), wk = 0.0016340 k( 96) = ( 0.1641086 0.5000608 -0.0000000), wk = 0.0016340 k( 97) = ( 0.1531680 0.5000608 -0.0000000), wk = 0.0016340 k( 98) = ( 0.1422275 0.5000608 -0.0000000), wk = 0.0016340 k( 99) = ( 0.1312869 0.5000608 -0.0000000), wk = 0.0016340 k( 100) = ( 0.1203463 0.5000608 -0.0000000), wk = 0.0016340 k( 101) = ( 0.1094057 0.5000608 -0.0000000), wk = 0.0016340 k( 102) = ( 0.0984652 0.5000608 -0.0000000), wk = 0.0016340 k( 103) = ( 0.0875246 0.5000608 -0.0000000), wk = 0.0016340 k( 104) = ( 0.0765840 0.5000608 -0.0000000), wk = 0.0016340 k( 105) = ( 0.0656434 0.5000608 -0.0000000), wk = 0.0016340 k( 106) = ( 0.0547029 0.5000608 -0.0000000), wk = 0.0016340 k( 107) = ( 0.0437623 0.5000608 -0.0000000), wk = 0.0016340 k( 108) = ( 0.0328217 0.5000608 -0.0000000), wk = 0.0016340 k( 109) = ( 0.0218811 0.5000608 -0.0000000), wk = 0.0016340 k( 110) = ( 0.0109406 0.5000608 -0.0000000), wk = 0.0016340 k( 111) = ( 0.0000000 0.5000608 -0.0000000), wk = 0.0016340 k( 112) = ( 0.0000000 0.5000608 -0.0000000), wk = 0.0016340 k( 113) = ( 0.0000000 0.5000608 0.0110973), wk = 0.0016340 k( 114) = ( 0.0000000 0.5000608 0.0221947), wk = 0.0016340 k( 115) = ( 0.0000000 0.5000608 0.0332920), wk = 0.0016340 k( 116) = ( 0.0000000 0.5000608 0.0443893), wk = 0.0016340 k( 117) = ( 0.0000000 0.5000608 0.0554866), wk = 0.0016340 k( 118) = ( 0.0000000 0.5000608 0.0665839), wk = 0.0016340 k( 119) = ( 0.0000000 0.5000608 0.0776813), wk = 0.0016340 k( 120) = ( 0.0000000 0.5000608 0.0887786), wk = 0.0016340 k( 121) = ( 0.0000000 0.5000608 0.0998759), wk = 0.0016340 k( 122) = ( 0.0000000 0.5000608 0.1109732), wk = 0.0016340 k( 123) = ( 0.0000000 0.5000608 0.1220706), wk = 0.0016340 k( 124) = ( 0.0000000 0.5000608 0.1331679), wk = 0.0016340 k( 125) = ( 0.0000000 0.5000608 0.1442652), wk = 0.0016340 k( 126) = ( 0.0000000 0.5000608 0.1553625), wk = 0.0016340 k( 127) = ( 0.0000000 0.5000608 0.1664598), wk = 0.0016340 k( 128) = ( 0.0000000 0.5000608 0.1775572), wk = 0.0016340 k( 129) = ( 0.0000000 0.5000608 0.1886545), wk = 0.0016340 k( 130) = ( 0.0000000 0.5000608 0.1997518), wk = 0.0016340 k( 131) = ( 0.0000000 0.5000608 0.2108491), wk = 0.0016340 k( 132) = ( 0.0000000 0.5000608 0.2219465), wk = 0.0016340 k( 133) = ( 0.0000000 0.5000608 0.2330438), wk = 0.0016340 k( 134) = ( 0.0000000 0.5000608 0.2441411), wk = 0.0016340 k( 135) = ( 0.0000000 0.5000608 0.2552384), wk = 0.0016340 k( 136) = ( 0.0000000 0.5000608 0.2663357), wk = 0.0016340 k( 137) = ( 0.0000000 0.5000608 0.2774331), wk = 0.0016340 k( 138) = ( 0.0000000 0.5000608 0.2885304), wk = 0.0016340 k( 139) = ( 0.0000000 0.5000608 0.2996277), wk = 0.0016340 k( 140) = ( 0.0000000 0.5000608 0.3107250), wk = 0.0016340 k( 141) = ( 0.0000000 0.5000608 0.3218224), wk = 0.0016340 k( 142) = ( 0.0000000 0.5000608 0.3329197), wk = 0.0016340 k( 143) = ( 0.0000000 0.5000608 0.3440170), wk = 0.0016340 k( 144) = ( 0.0000000 0.5000608 0.3551143), wk = 0.0016340 k( 145) = ( 0.0000000 0.5000608 0.3662116), wk = 0.0016340 k( 146) = ( 0.0000000 0.5000608 0.3773090), wk = 0.0016340 k( 147) = ( 0.0000000 0.5000608 0.3884063), wk = 0.0016340 k( 148) = ( 0.0000000 0.5000608 0.3995036), wk = 0.0016340 k( 149) = ( 0.0000000 0.5000608 0.4106009), wk = 0.0016340 k( 150) = ( 0.0000000 0.5000608 0.4216982), wk = 0.0016340 k( 151) = ( 0.0000000 0.5000608 0.4327956), wk = 0.0016340 k( 152) = ( 0.0000000 0.5000608 0.4438929), wk = 0.0016340 k( 153) = ( 0.0000000 0.5000608 0.4549902), wk = 0.0016340 k( 154) = ( 0.0000000 0.5000608 0.4660875), wk = 0.0016340 k( 155) = ( 0.0000000 0.5000608 0.4771849), wk = 0.0016340 k( 156) = ( 0.0000000 0.5000608 0.4882822), wk = 0.0016340 k( 157) = ( 0.0000000 0.5000608 0.4993795), wk = 0.0016340 k( 158) = ( 0.0000000 0.5000608 0.5104768), wk = 0.0016340 k( 159) = ( 0.0000000 0.5000608 0.5215741), wk = 0.0016340 k( 160) = ( 0.0000000 0.5000608 0.5326715), wk = 0.0016340 k( 161) = ( 0.0000000 0.5000608 0.5437688), wk = 0.0016340 k( 162) = ( 0.0000000 0.5000608 0.5548661), wk = 0.0016340 k( 163) = ( 0.0000000 0.5000608 0.5659634), wk = 0.0016340 k( 164) = ( 0.0000000 0.5000608 0.5770608), wk = 0.0016340 k( 165) = ( 0.0000000 0.5000608 0.5881581), wk = 0.0016340 k( 166) = ( 0.0000000 0.5000608 0.5992554), wk = 0.0016340 k( 167) = ( 0.0000000 0.5000608 0.6103527), wk = 0.0016340 k( 168) = ( 0.0000000 0.5000608 0.6214500), wk = 0.0016340 k( 169) = ( 0.0000000 0.5000608 0.6325474), wk = 0.0016340 k( 170) = ( 0.0000000 0.5000608 0.6436447), wk = 0.0016340 k( 171) = ( 0.0000000 0.5000608 0.6547420), wk = 0.0016340 k( 172) = ( 0.0000000 0.5000608 0.6658394), wk = 0.0016340 k( 173) = ( 0.0000000 0.5000608 0.6769367), wk = 0.0016340 k( 174) = ( 0.0000000 0.5000608 0.6880340), wk = 0.0016340 k( 175) = ( 0.0000000 0.5000608 0.6991313), wk = 0.0016340 k( 176) = ( 0.0000000 0.5000608 0.6991313), wk = 0.0016340 k( 177) = ( 0.0109406 0.5000608 0.6991313), wk = 0.0016340 k( 178) = ( 0.0218811 0.5000608 0.6991313), wk = 0.0016340 k( 179) = ( 0.0328217 0.5000608 0.6991313), wk = 0.0016340 k( 180) = ( 0.0437623 0.5000608 0.6991313), wk = 0.0016340 k( 181) = ( 0.0547029 0.5000608 0.6991313), wk = 0.0016340 k( 182) = ( 0.0656434 0.5000608 0.6991313), wk = 0.0016340 k( 183) = ( 0.0765840 0.5000608 0.6991313), wk = 0.0016340 k( 184) = ( 0.0875246 0.5000608 0.6991313), wk = 0.0016340 k( 185) = ( 0.0984652 0.5000608 0.6991313), wk = 0.0016340 k( 186) = ( 0.1094057 0.5000608 0.6991313), wk = 0.0016340 k( 187) = ( 0.1203463 0.5000608 0.6991313), wk = 0.0016340 k( 188) = ( 0.1312869 0.5000608 0.6991313), wk = 0.0016340 k( 189) = ( 0.1422275 0.5000608 0.6991313), wk = 0.0016340 k( 190) = ( 0.1531680 0.5000608 0.6991313), wk = 0.0016340 k( 191) = ( 0.1641086 0.5000608 0.6991313), wk = 0.0016340 k( 192) = ( 0.1750492 0.5000608 0.6991313), wk = 0.0016340 k( 193) = ( 0.1859897 0.5000608 0.6991313), wk = 0.0016340 k( 194) = ( 0.1969303 0.5000608 0.6991313), wk = 0.0016340 k( 195) = ( 0.2078709 0.5000608 0.6991313), wk = 0.0016340 k( 196) = ( 0.2188115 0.5000608 0.6991313), wk = 0.0016340 k( 197) = ( 0.2297520 0.5000608 0.6991313), wk = 0.0016340 k( 198) = ( 0.2406926 0.5000608 0.6991313), wk = 0.0016340 k( 199) = ( 0.2516332 0.5000608 0.6991313), wk = 0.0016340 k( 200) = ( 0.2625737 0.5000608 0.6991313), wk = 0.0016340 k( 201) = ( 0.2735143 0.5000608 0.6991313), wk = 0.0016340 k( 202) = ( 0.2844549 0.5000608 0.6991313), wk = 0.0016340 k( 203) = ( 0.2953955 0.5000608 0.6991313), wk = 0.0016340 k( 204) = ( 0.3063360 0.5000608 0.6991313), wk = 0.0016340 k( 205) = ( 0.3172766 0.5000608 0.6991313), wk = 0.0016340 k( 206) = ( 0.3282172 0.5000608 0.6991313), wk = 0.0016340 k( 207) = ( 0.3391578 0.5000608 0.6991313), wk = 0.0016340 k( 208) = ( 0.3500983 0.5000608 0.6991313), wk = 0.0016340 k( 209) = ( 0.3610389 0.5000608 0.6991313), wk = 0.0016340 k( 210) = ( 0.3719795 0.5000608 0.6991313), wk = 0.0016340 k( 211) = ( 0.3829201 0.5000608 0.6991313), wk = 0.0016340 k( 212) = ( 0.3938606 0.5000608 0.6991313), wk = 0.0016340 k( 213) = ( 0.4048012 0.5000608 0.6991313), wk = 0.0016340 k( 214) = ( 0.4157418 0.5000608 0.6991313), wk = 0.0016340 k( 215) = ( 0.4266823 0.5000608 0.6991313), wk = 0.0016340 k( 216) = ( 0.4376229 0.5000608 0.6991313), wk = 0.0016340 k( 217) = ( 0.4485635 0.5000608 0.6991313), wk = 0.0016340 k( 218) = ( 0.4595041 0.5000608 0.6991313), wk = 0.0016340 k( 219) = ( 0.4704446 0.5000608 0.6991313), wk = 0.0016340 k( 220) = ( 0.4813852 0.5000608 0.6991313), wk = 0.0016340 k( 221) = ( 0.4923258 0.5000608 0.6991313), wk = 0.0016340 k( 222) = ( 0.4923258 0.5000608 0.6991313), wk = 0.0016340 k( 223) = ( 0.4846332 0.4922473 0.6991313), wk = 0.0016340 k( 224) = ( 0.4769406 0.4844339 0.6991313), wk = 0.0016340 k( 225) = ( 0.4692480 0.4766204 0.6991313), wk = 0.0016340 k( 226) = ( 0.4615554 0.4688070 0.6991313), wk = 0.0016340 k( 227) = ( 0.4538628 0.4609935 0.6991313), wk = 0.0016340 k( 228) = ( 0.4461702 0.4531801 0.6991313), wk = 0.0016340 k( 229) = ( 0.4384776 0.4453666 0.6991313), wk = 0.0016340 k( 230) = ( 0.4307851 0.4375532 0.6991313), wk = 0.0016340 k( 231) = ( 0.4230925 0.4297397 0.6991313), wk = 0.0016340 k( 232) = ( 0.4153999 0.4219263 0.6991313), wk = 0.0016340 k( 233) = ( 0.4077073 0.4141128 0.6991313), wk = 0.0016340 k( 234) = ( 0.4000147 0.4062994 0.6991313), wk = 0.0016340 k( 235) = ( 0.3923221 0.3984859 0.6991313), wk = 0.0016340 k( 236) = ( 0.3846295 0.3906725 0.6991313), wk = 0.0016340 k( 237) = ( 0.3769369 0.3828590 0.6991313), wk = 0.0016340 k( 238) = ( 0.3692443 0.3750456 0.6991313), wk = 0.0016340 k( 239) = ( 0.3615518 0.3672321 0.6991313), wk = 0.0016340 k( 240) = ( 0.3538592 0.3594187 0.6991313), wk = 0.0016340 k( 241) = ( 0.3461666 0.3516052 0.6991313), wk = 0.0016340 k( 242) = ( 0.3384740 0.3437918 0.6991313), wk = 0.0016340 k( 243) = ( 0.3307814 0.3359783 0.6991313), wk = 0.0016340 k( 244) = ( 0.3230888 0.3281649 0.6991313), wk = 0.0016340 k( 245) = ( 0.3153962 0.3203514 0.6991313), wk = 0.0016340 k( 246) = ( 0.3077036 0.3125380 0.6991313), wk = 0.0016340 k( 247) = ( 0.3000110 0.3047245 0.6991313), wk = 0.0016340 k( 248) = ( 0.2923184 0.2969111 0.6991313), wk = 0.0016340 k( 249) = ( 0.2846258 0.2890976 0.6991313), wk = 0.0016340 k( 250) = ( 0.2769333 0.2812842 0.6991313), wk = 0.0016340 k( 251) = ( 0.2692407 0.2734707 0.6991313), wk = 0.0016340 k( 252) = ( 0.2615481 0.2656573 0.6991313), wk = 0.0016340 k( 253) = ( 0.2538555 0.2578438 0.6991313), wk = 0.0016340 k( 254) = ( 0.2461629 0.2500304 0.6991313), wk = 0.0016340 k( 255) = ( 0.2384703 0.2422169 0.6991313), wk = 0.0016340 k( 256) = ( 0.2307777 0.2344035 0.6991313), wk = 0.0016340 k( 257) = ( 0.2230851 0.2265900 0.6991313), wk = 0.0016340 k( 258) = ( 0.2153925 0.2187766 0.6991313), wk = 0.0016340 k( 259) = ( 0.2076999 0.2109631 0.6991313), wk = 0.0016340 k( 260) = ( 0.2000074 0.2031497 0.6991313), wk = 0.0016340 k( 261) = ( 0.1923148 0.1953362 0.6991313), wk = 0.0016340 k( 262) = ( 0.1846222 0.1875228 0.6991313), wk = 0.0016340 k( 263) = ( 0.1769296 0.1797093 0.6991313), wk = 0.0016340 k( 264) = ( 0.1692370 0.1718959 0.6991313), wk = 0.0016340 k( 265) = ( 0.1615444 0.1640824 0.6991313), wk = 0.0016340 k( 266) = ( 0.1538518 0.1562690 0.6991313), wk = 0.0016340 k( 267) = ( 0.1461592 0.1484555 0.6991313), wk = 0.0016340 k( 268) = ( 0.1384666 0.1406421 0.6991313), wk = 0.0016340 k( 269) = ( 0.1307740 0.1328286 0.6991313), wk = 0.0016340 k( 270) = ( 0.1230814 0.1250152 0.6991313), wk = 0.0016340 k( 271) = ( 0.1153889 0.1172017 0.6991313), wk = 0.0016340 k( 272) = ( 0.1076963 0.1093883 0.6991313), wk = 0.0016340 k( 273) = ( 0.1000037 0.1015748 0.6991313), wk = 0.0016340 k( 274) = ( 0.0923111 0.0937614 0.6991313), wk = 0.0016340 k( 275) = ( 0.0846185 0.0859479 0.6991313), wk = 0.0016340 k( 276) = ( 0.0769259 0.0781345 0.6991313), wk = 0.0016340 k( 277) = ( 0.0692333 0.0703210 0.6991313), wk = 0.0016340 k( 278) = ( 0.0615407 0.0625076 0.6991313), wk = 0.0016340 k( 279) = ( 0.0538481 0.0546941 0.6991313), wk = 0.0016340 k( 280) = ( 0.0461555 0.0468807 0.6991313), wk = 0.0016340 k( 281) = ( 0.0384630 0.0390672 0.6991313), wk = 0.0016340 k( 282) = ( 0.0307704 0.0312538 0.6991313), wk = 0.0016340 k( 283) = ( 0.0230778 0.0234403 0.6991313), wk = 0.0016340 k( 284) = ( 0.0153852 0.0156269 0.6991313), wk = 0.0016340 k( 285) = ( 0.0076926 0.0078134 0.6991313), wk = 0.0016340 k( 286) = ( 0.0000000 0.0000000 0.6991313), wk = 0.0016340 k( 287) = ( 0.0000000 0.0000000 0.6991313), wk = 0.0016340 k( 288) = ( 0.0000000 0.0000000 0.6880340), wk = 0.0016340 k( 289) = ( 0.0000000 0.0000000 0.6769367), wk = 0.0016340 k( 290) = ( 0.0000000 0.0000000 0.6658394), wk = 0.0016340 k( 291) = ( 0.0000000 0.0000000 0.6547420), wk = 0.0016340 k( 292) = ( 0.0000000 0.0000000 0.6436447), wk = 0.0016340 k( 293) = ( 0.0000000 0.0000000 0.6325474), wk = 0.0016340 k( 294) = ( 0.0000000 0.0000000 0.6214500), wk = 0.0016340 k( 295) = ( 0.0000000 0.0000000 0.6103527), wk = 0.0016340 k( 296) = ( 0.0000000 0.0000000 0.5992554), wk = 0.0016340 k( 297) = ( 0.0000000 0.0000000 0.5881581), wk = 0.0016340 k( 298) = ( 0.0000000 0.0000000 0.5770608), wk = 0.0016340 k( 299) = ( 0.0000000 0.0000000 0.5659634), wk = 0.0016340 k( 300) = ( 0.0000000 0.0000000 0.5548661), wk = 0.0016340 k( 301) = ( 0.0000000 0.0000000 0.5437688), wk = 0.0016340 k( 302) = ( 0.0000000 0.0000000 0.5326715), wk = 0.0016340 k( 303) = ( 0.0000000 0.0000000 0.5215741), wk = 0.0016340 k( 304) = ( 0.0000000 0.0000000 0.5104768), wk = 0.0016340 k( 305) = ( 0.0000000 0.0000000 0.4993795), wk = 0.0016340 k( 306) = ( 0.0000000 0.0000000 0.4882822), wk = 0.0016340 k( 307) = ( 0.0000000 0.0000000 0.4771849), wk = 0.0016340 k( 308) = ( 0.0000000 0.0000000 0.4660875), wk = 0.0016340 k( 309) = ( 0.0000000 0.0000000 0.4549902), wk = 0.0016340 k( 310) = ( 0.0000000 0.0000000 0.4438929), wk = 0.0016340 k( 311) = ( 0.0000000 0.0000000 0.4327956), wk = 0.0016340 k( 312) = ( 0.0000000 0.0000000 0.4216982), wk = 0.0016340 k( 313) = ( 0.0000000 0.0000000 0.4106009), wk = 0.0016340 k( 314) = ( 0.0000000 0.0000000 0.3995036), wk = 0.0016340 k( 315) = ( 0.0000000 0.0000000 0.3884063), wk = 0.0016340 k( 316) = ( 0.0000000 0.0000000 0.3773090), wk = 0.0016340 k( 317) = ( 0.0000000 0.0000000 0.3662116), wk = 0.0016340 k( 318) = ( 0.0000000 0.0000000 0.3551143), wk = 0.0016340 k( 319) = ( 0.0000000 0.0000000 0.3440170), wk = 0.0016340 k( 320) = ( 0.0000000 0.0000000 0.3329197), wk = 0.0016340 k( 321) = ( 0.0000000 0.0000000 0.3218224), wk = 0.0016340 k( 322) = ( 0.0000000 0.0000000 0.3107250), wk = 0.0016340 k( 323) = ( 0.0000000 0.0000000 0.2996277), wk = 0.0016340 k( 324) = ( 0.0000000 0.0000000 0.2885304), wk = 0.0016340 k( 325) = ( 0.0000000 0.0000000 0.2774331), wk = 0.0016340 k( 326) = ( 0.0000000 0.0000000 0.2663357), wk = 0.0016340 k( 327) = ( 0.0000000 0.0000000 0.2552384), wk = 0.0016340 k( 328) = ( 0.0000000 0.0000000 0.2441411), wk = 0.0016340 k( 329) = ( 0.0000000 0.0000000 0.2330438), wk = 0.0016340 k( 330) = ( 0.0000000 0.0000000 0.2219465), wk = 0.0016340 k( 331) = ( 0.0000000 0.0000000 0.2108491), wk = 0.0016340 k( 332) = ( 0.0000000 0.0000000 0.1997518), wk = 0.0016340 k( 333) = ( 0.0000000 0.0000000 0.1886545), wk = 0.0016340 k( 334) = ( 0.0000000 0.0000000 0.1775572), wk = 0.0016340 k( 335) = ( 0.0000000 0.0000000 0.1664598), wk = 0.0016340 k( 336) = ( 0.0000000 0.0000000 0.1553625), wk = 0.0016340 k( 337) = ( 0.0000000 0.0000000 0.1442652), wk = 0.0016340 k( 338) = ( 0.0000000 0.0000000 0.1331679), wk = 0.0016340 k( 339) = ( 0.0000000 0.0000000 0.1220706), wk = 0.0016340 k( 340) = ( 0.0000000 0.0000000 0.1109732), wk = 0.0016340 k( 341) = ( 0.0000000 0.0000000 0.0998759), wk = 0.0016340 k( 342) = ( 0.0000000 0.0000000 0.0887786), wk = 0.0016340 k( 343) = ( 0.0000000 0.0000000 0.0776813), wk = 0.0016340 k( 344) = ( 0.0000000 0.0000000 0.0665839), wk = 0.0016340 k( 345) = ( 0.0000000 0.0000000 0.0554866), wk = 0.0016340 k( 346) = ( 0.0000000 0.0000000 0.0443893), wk = 0.0016340 k( 347) = ( 0.0000000 0.0000000 0.0332920), wk = 0.0016340 k( 348) = ( 0.0000000 0.0000000 0.0221947), wk = 0.0016340 k( 349) = ( 0.0000000 0.0000000 0.0110973), wk = 0.0016340 k( 350) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016340 k( 351) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016340 k( 352) = ( -0.0078125 0.0076917 0.0000000), wk = 0.0016340 k( 353) = ( -0.0156250 0.0153833 0.0000000), wk = 0.0016340 k( 354) = ( -0.0234375 0.0230750 0.0000000), wk = 0.0016340 k( 355) = ( -0.0312500 0.0307666 0.0000000), wk = 0.0016340 k( 356) = ( -0.0390625 0.0384583 0.0000000), wk = 0.0016340 k( 357) = ( -0.0468750 0.0461499 0.0000000), wk = 0.0016340 k( 358) = ( -0.0546875 0.0538416 0.0000000), wk = 0.0016340 k( 359) = ( -0.0625000 0.0615332 0.0000000), wk = 0.0016340 k( 360) = ( -0.0703125 0.0692249 0.0000000), wk = 0.0016340 k( 361) = ( -0.0781250 0.0769166 0.0000000), wk = 0.0016340 k( 362) = ( -0.0859375 0.0846082 0.0000000), wk = 0.0016340 k( 363) = ( -0.0937500 0.0922999 0.0000000), wk = 0.0016340 k( 364) = ( -0.1015625 0.0999915 0.0000000), wk = 0.0016340 k( 365) = ( -0.1093750 0.1076832 0.0000000), wk = 0.0016340 k( 366) = ( -0.1171875 0.1153748 0.0000000), wk = 0.0016340 k( 367) = ( -0.1250000 0.1230665 0.0000000), wk = 0.0016340 k( 368) = ( -0.1328125 0.1307581 0.0000000), wk = 0.0016340 k( 369) = ( -0.1406250 0.1384498 0.0000000), wk = 0.0016340 k( 370) = ( -0.1484375 0.1461415 0.0000000), wk = 0.0016340 k( 371) = ( -0.1562500 0.1538331 0.0000000), wk = 0.0016340 k( 372) = ( -0.1640625 0.1615248 0.0000000), wk = 0.0016340 k( 373) = ( -0.1718750 0.1692164 0.0000000), wk = 0.0016340 k( 374) = ( -0.1796875 0.1769081 0.0000000), wk = 0.0016340 k( 375) = ( -0.1875000 0.1845997 0.0000000), wk = 0.0016340 k( 376) = ( -0.1953125 0.1922914 0.0000000), wk = 0.0016340 k( 377) = ( -0.2031250 0.1999831 0.0000000), wk = 0.0016340 k( 378) = ( -0.2109375 0.2076747 0.0000000), wk = 0.0016340 k( 379) = ( -0.2187500 0.2153664 0.0000000), wk = 0.0016340 k( 380) = ( -0.2265625 0.2230580 0.0000000), wk = 0.0016340 k( 381) = ( -0.2343750 0.2307497 0.0000000), wk = 0.0016340 k( 382) = ( -0.2421875 0.2384413 0.0000000), wk = 0.0016340 k( 383) = ( -0.2500000 0.2461330 0.0000000), wk = 0.0016340 k( 384) = ( -0.2578125 0.2538246 0.0000000), wk = 0.0016340 k( 385) = ( -0.2656250 0.2615163 0.0000000), wk = 0.0016340 k( 386) = ( -0.2734375 0.2692080 0.0000000), wk = 0.0016340 k( 387) = ( -0.2812500 0.2768996 0.0000000), wk = 0.0016340 k( 388) = ( -0.2890625 0.2845913 0.0000000), wk = 0.0016340 k( 389) = ( -0.2968750 0.2922829 0.0000000), wk = 0.0016340 k( 390) = ( -0.3046875 0.2999746 0.0000000), wk = 0.0016340 k( 391) = ( -0.3125000 0.3076662 0.0000000), wk = 0.0016340 k( 392) = ( -0.3203125 0.3153579 0.0000000), wk = 0.0016340 k( 393) = ( -0.3281250 0.3230495 0.0000000), wk = 0.0016340 k( 394) = ( -0.3359375 0.3307412 0.0000000), wk = 0.0016340 k( 395) = ( -0.3437500 0.3384329 0.0000000), wk = 0.0016340 k( 396) = ( -0.3515625 0.3461245 0.0000000), wk = 0.0016340 k( 397) = ( -0.3593750 0.3538162 0.0000000), wk = 0.0016340 k( 398) = ( -0.3671875 0.3615078 0.0000000), wk = 0.0016340 k( 399) = ( -0.3750000 0.3691995 0.0000000), wk = 0.0016340 k( 400) = ( -0.3828125 0.3768911 0.0000000), wk = 0.0016340 k( 401) = ( -0.3906250 0.3845828 0.0000000), wk = 0.0016340 k( 402) = ( -0.3984375 0.3922744 0.0000000), wk = 0.0016340 k( 403) = ( -0.4062500 0.3999661 0.0000000), wk = 0.0016340 k( 404) = ( -0.4140625 0.4076578 0.0000000), wk = 0.0016340 k( 405) = ( -0.4218750 0.4153494 0.0000000), wk = 0.0016340 k( 406) = ( -0.4296875 0.4230411 0.0000000), wk = 0.0016340 k( 407) = ( -0.4375000 0.4307327 0.0000000), wk = 0.0016340 k( 408) = ( -0.4453125 0.4384244 0.0000000), wk = 0.0016340 k( 409) = ( -0.4531250 0.4461160 0.0000000), wk = 0.0016340 k( 410) = ( -0.4609375 0.4538077 0.0000000), wk = 0.0016340 k( 411) = ( -0.4687500 0.4614993 0.0000000), wk = 0.0016340 k( 412) = ( -0.4765625 0.4691910 0.0000000), wk = 0.0016340 k( 413) = ( -0.4843750 0.4768827 0.0000000), wk = 0.0016340 k( 414) = ( -0.4921875 0.4845743 0.0000000), wk = 0.0016340 k( 415) = ( -0.5000000 0.4922660 0.0000000), wk = 0.0016340 k( 416) = ( -0.5000000 0.4922660 0.0000000), wk = 0.0016340 k( 417) = ( -0.4923258 0.5000608 -0.0000000), wk = 0.0016340 k( 418) = ( -0.4923258 0.5000608 -0.0000000), wk = 0.0016340 k( 419) = ( -0.4923258 0.5000608 0.0110973), wk = 0.0016340 k( 420) = ( -0.4923258 0.5000608 0.0221947), wk = 0.0016340 k( 421) = ( -0.4923258 0.5000608 0.0332920), wk = 0.0016340 k( 422) = ( -0.4923258 0.5000608 0.0443893), wk = 0.0016340 k( 423) = ( -0.4923258 0.5000608 0.0554866), wk = 0.0016340 k( 424) = ( -0.4923258 0.5000608 0.0665839), wk = 0.0016340 k( 425) = ( -0.4923258 0.5000608 0.0776813), wk = 0.0016340 k( 426) = ( -0.4923258 0.5000608 0.0887786), wk = 0.0016340 k( 427) = ( -0.4923258 0.5000608 0.0998759), wk = 0.0016340 k( 428) = ( -0.4923258 0.5000608 0.1109732), wk = 0.0016340 k( 429) = ( -0.4923258 0.5000608 0.1220706), wk = 0.0016340 k( 430) = ( -0.4923258 0.5000608 0.1331679), wk = 0.0016340 k( 431) = ( -0.4923258 0.5000608 0.1442652), wk = 0.0016340 k( 432) = ( -0.4923258 0.5000608 0.1553625), wk = 0.0016340 k( 433) = ( -0.4923258 0.5000608 0.1664598), wk = 0.0016340 k( 434) = ( -0.4923258 0.5000608 0.1775572), wk = 0.0016340 k( 435) = ( -0.4923258 0.5000608 0.1886545), wk = 0.0016340 k( 436) = ( -0.4923258 0.5000608 0.1997518), wk = 0.0016340 k( 437) = ( -0.4923258 0.5000608 0.2108491), wk = 0.0016340 k( 438) = ( -0.4923258 0.5000608 0.2219465), wk = 0.0016340 k( 439) = ( -0.4923258 0.5000608 0.2330438), wk = 0.0016340 k( 440) = ( -0.4923258 0.5000608 0.2441411), wk = 0.0016340 k( 441) = ( -0.4923258 0.5000608 0.2552384), wk = 0.0016340 k( 442) = ( -0.4923258 0.5000608 0.2663357), wk = 0.0016340 k( 443) = ( -0.4923258 0.5000608 0.2774331), wk = 0.0016340 k( 444) = ( -0.4923258 0.5000608 0.2885304), wk = 0.0016340 k( 445) = ( -0.4923258 0.5000608 0.2996277), wk = 0.0016340 k( 446) = ( -0.4923258 0.5000608 0.3107250), wk = 0.0016340 k( 447) = ( -0.4923258 0.5000608 0.3218224), wk = 0.0016340 k( 448) = ( -0.4923258 0.5000608 0.3329197), wk = 0.0016340 k( 449) = ( -0.4923258 0.5000608 0.3440170), wk = 0.0016340 k( 450) = ( -0.4923258 0.5000608 0.3551143), wk = 0.0016340 k( 451) = ( -0.4923258 0.5000608 0.3662116), wk = 0.0016340 k( 452) = ( -0.4923258 0.5000608 0.3773090), wk = 0.0016340 k( 453) = ( -0.4923258 0.5000608 0.3884063), wk = 0.0016340 k( 454) = ( -0.4923258 0.5000608 0.3995036), wk = 0.0016340 k( 455) = ( -0.4923258 0.5000608 0.4106009), wk = 0.0016340 k( 456) = ( -0.4923258 0.5000608 0.4216982), wk = 0.0016340 k( 457) = ( -0.4923258 0.5000608 0.4327956), wk = 0.0016340 k( 458) = ( -0.4923258 0.5000608 0.4438929), wk = 0.0016340 k( 459) = ( -0.4923258 0.5000608 0.4549902), wk = 0.0016340 k( 460) = ( -0.4923258 0.5000608 0.4660875), wk = 0.0016340 k( 461) = ( -0.4923258 0.5000608 0.4771849), wk = 0.0016340 k( 462) = ( -0.4923258 0.5000608 0.4882822), wk = 0.0016340 k( 463) = ( -0.4923258 0.5000608 0.4993795), wk = 0.0016340 k( 464) = ( -0.4923258 0.5000608 0.5104768), wk = 0.0016340 k( 465) = ( -0.4923258 0.5000608 0.5215741), wk = 0.0016340 k( 466) = ( -0.4923258 0.5000608 0.5326715), wk = 0.0016340 k( 467) = ( -0.4923258 0.5000608 0.5437688), wk = 0.0016340 k( 468) = ( -0.4923258 0.5000608 0.5548661), wk = 0.0016340 k( 469) = ( -0.4923258 0.5000608 0.5659634), wk = 0.0016340 k( 470) = ( -0.4923258 0.5000608 0.5770608), wk = 0.0016340 k( 471) = ( -0.4923258 0.5000608 0.5881581), wk = 0.0016340 k( 472) = ( -0.4923258 0.5000608 0.5992554), wk = 0.0016340 k( 473) = ( -0.4923258 0.5000608 0.6103527), wk = 0.0016340 k( 474) = ( -0.4923258 0.5000608 0.6214500), wk = 0.0016340 k( 475) = ( -0.4923258 0.5000608 0.6325474), wk = 0.0016340 k( 476) = ( -0.4923258 0.5000608 0.6436447), wk = 0.0016340 k( 477) = ( -0.4923258 0.5000608 0.6547420), wk = 0.0016340 k( 478) = ( -0.4923258 0.5000608 0.6658394), wk = 0.0016340 k( 479) = ( -0.4923258 0.5000608 0.6769367), wk = 0.0016340 k( 480) = ( -0.4923258 0.5000608 0.6880340), wk = 0.0016340 k( 481) = ( -0.4923258 0.5000608 0.6991313), wk = 0.0016340 k( 482) = ( -0.4923258 0.5000608 0.6991313), wk = 0.0016340 k( 483) = ( -0.5000000 0.4922660 0.6991313), wk = 0.0016340 k( 484) = ( -0.5000000 0.4922660 0.6991313), wk = 0.0016340 k( 485) = ( -0.5000000 0.4922660 0.6880340), wk = 0.0016340 k( 486) = ( -0.5000000 0.4922660 0.6769367), wk = 0.0016340 k( 487) = ( -0.5000000 0.4922660 0.6658394), wk = 0.0016340 k( 488) = ( -0.5000000 0.4922660 0.6547420), wk = 0.0016340 k( 489) = ( -0.5000000 0.4922660 0.6436447), wk = 0.0016340 k( 490) = ( -0.5000000 0.4922660 0.6325474), wk = 0.0016340 k( 491) = ( -0.5000000 0.4922660 0.6214500), wk = 0.0016340 k( 492) = ( -0.5000000 0.4922660 0.6103527), wk = 0.0016340 k( 493) = ( -0.5000000 0.4922660 0.5992554), wk = 0.0016340 k( 494) = ( -0.5000000 0.4922660 0.5881581), wk = 0.0016340 k( 495) = ( -0.5000000 0.4922660 0.5770608), wk = 0.0016340 k( 496) = ( -0.5000000 0.4922660 0.5659634), wk = 0.0016340 k( 497) = ( -0.5000000 0.4922660 0.5548661), wk = 0.0016340 k( 498) = ( -0.5000000 0.4922660 0.5437688), wk = 0.0016340 k( 499) = ( -0.5000000 0.4922660 0.5326715), wk = 0.0016340 k( 500) = ( -0.5000000 0.4922660 0.5215741), wk = 0.0016340 k( 501) = ( -0.5000000 0.4922660 0.5104768), wk = 0.0016340 k( 502) = ( -0.5000000 0.4922660 0.4993795), wk = 0.0016340 k( 503) = ( -0.5000000 0.4922660 0.4882822), wk = 0.0016340 k( 504) = ( -0.5000000 0.4922660 0.4771849), wk = 0.0016340 k( 505) = ( -0.5000000 0.4922660 0.4660875), wk = 0.0016340 k( 506) = ( -0.5000000 0.4922660 0.4549902), wk = 0.0016340 k( 507) = ( -0.5000000 0.4922660 0.4438929), wk = 0.0016340 k( 508) = ( -0.5000000 0.4922660 0.4327956), wk = 0.0016340 k( 509) = ( -0.5000000 0.4922660 0.4216982), wk = 0.0016340 k( 510) = ( -0.5000000 0.4922660 0.4106009), wk = 0.0016340 k( 511) = ( -0.5000000 0.4922660 0.3995036), wk = 0.0016340 k( 512) = ( -0.5000000 0.4922660 0.3884063), wk = 0.0016340 k( 513) = ( -0.5000000 0.4922660 0.3773090), wk = 0.0016340 k( 514) = ( -0.5000000 0.4922660 0.3662116), wk = 0.0016340 k( 515) = ( -0.5000000 0.4922660 0.3551143), wk = 0.0016340 k( 516) = ( -0.5000000 0.4922660 0.3440170), wk = 0.0016340 k( 517) = ( -0.5000000 0.4922660 0.3329197), wk = 0.0016340 k( 518) = ( -0.5000000 0.4922660 0.3218224), wk = 0.0016340 k( 519) = ( -0.5000000 0.4922660 0.3107250), wk = 0.0016340 k( 520) = ( -0.5000000 0.4922660 0.2996277), wk = 0.0016340 k( 521) = ( -0.5000000 0.4922660 0.2885304), wk = 0.0016340 k( 522) = ( -0.5000000 0.4922660 0.2774331), wk = 0.0016340 k( 523) = ( -0.5000000 0.4922660 0.2663357), wk = 0.0016340 k( 524) = ( -0.5000000 0.4922660 0.2552384), wk = 0.0016340 k( 525) = ( -0.5000000 0.4922660 0.2441411), wk = 0.0016340 k( 526) = ( -0.5000000 0.4922660 0.2330438), wk = 0.0016340 k( 527) = ( -0.5000000 0.4922660 0.2219465), wk = 0.0016340 k( 528) = ( -0.5000000 0.4922660 0.2108491), wk = 0.0016340 k( 529) = ( -0.5000000 0.4922660 0.1997518), wk = 0.0016340 k( 530) = ( -0.5000000 0.4922660 0.1886545), wk = 0.0016340 k( 531) = ( -0.5000000 0.4922660 0.1775572), wk = 0.0016340 k( 532) = ( -0.5000000 0.4922660 0.1664598), wk = 0.0016340 k( 533) = ( -0.5000000 0.4922660 0.1553625), wk = 0.0016340 k( 534) = ( -0.5000000 0.4922660 0.1442652), wk = 0.0016340 k( 535) = ( -0.5000000 0.4922660 0.1331679), wk = 0.0016340 k( 536) = ( -0.5000000 0.4922660 0.1220706), wk = 0.0016340 k( 537) = ( -0.5000000 0.4922660 0.1109732), wk = 0.0016340 k( 538) = ( -0.5000000 0.4922660 0.0998759), wk = 0.0016340 k( 539) = ( -0.5000000 0.4922660 0.0887786), wk = 0.0016340 k( 540) = ( -0.5000000 0.4922660 0.0776813), wk = 0.0016340 k( 541) = ( -0.5000000 0.4922660 0.0665839), wk = 0.0016340 k( 542) = ( -0.5000000 0.4922660 0.0554866), wk = 0.0016340 k( 543) = ( -0.5000000 0.4922660 0.0443893), wk = 0.0016340 k( 544) = ( -0.5000000 0.4922660 0.0332920), wk = 0.0016340 k( 545) = ( -0.5000000 0.4922660 0.0221947), wk = 0.0016340 k( 546) = ( -0.5000000 0.4922660 0.0110973), wk = 0.0016340 k( 547) = ( -0.5000000 0.4922660 0.0000000), wk = 0.0016340 k( 548) = ( 0.0000000 0.0000000 0.6991313), wk = 0.0016340 k( 549) = ( -0.0078125 0.0076917 0.6991313), wk = 0.0016340 k( 550) = ( -0.0156250 0.0153833 0.6991313), wk = 0.0016340 k( 551) = ( -0.0234375 0.0230750 0.6991313), wk = 0.0016340 k( 552) = ( -0.0312500 0.0307666 0.6991313), wk = 0.0016340 k( 553) = ( -0.0390625 0.0384583 0.6991313), wk = 0.0016340 k( 554) = ( -0.0468750 0.0461499 0.6991313), wk = 0.0016340 k( 555) = ( -0.0546875 0.0538416 0.6991313), wk = 0.0016340 k( 556) = ( -0.0625000 0.0615332 0.6991313), wk = 0.0016340 k( 557) = ( -0.0703125 0.0692249 0.6991313), wk = 0.0016340 k( 558) = ( -0.0781250 0.0769166 0.6991313), wk = 0.0016340 k( 559) = ( -0.0859375 0.0846082 0.6991313), wk = 0.0016340 k( 560) = ( -0.0937500 0.0922999 0.6991313), wk = 0.0016340 k( 561) = ( -0.1015625 0.0999915 0.6991313), wk = 0.0016340 k( 562) = ( -0.1093750 0.1076832 0.6991313), wk = 0.0016340 k( 563) = ( -0.1171875 0.1153748 0.6991313), wk = 0.0016340 k( 564) = ( -0.1250000 0.1230665 0.6991313), wk = 0.0016340 k( 565) = ( -0.1328125 0.1307581 0.6991313), wk = 0.0016340 k( 566) = ( -0.1406250 0.1384498 0.6991313), wk = 0.0016340 k( 567) = ( -0.1484375 0.1461415 0.6991313), wk = 0.0016340 k( 568) = ( -0.1562500 0.1538331 0.6991313), wk = 0.0016340 k( 569) = ( -0.1640625 0.1615248 0.6991313), wk = 0.0016340 k( 570) = ( -0.1718750 0.1692164 0.6991313), wk = 0.0016340 k( 571) = ( -0.1796875 0.1769081 0.6991313), wk = 0.0016340 k( 572) = ( -0.1875000 0.1845997 0.6991313), wk = 0.0016340 k( 573) = ( -0.1953125 0.1922914 0.6991313), wk = 0.0016340 k( 574) = ( -0.2031250 0.1999831 0.6991313), wk = 0.0016340 k( 575) = ( -0.2109375 0.2076747 0.6991313), wk = 0.0016340 k( 576) = ( -0.2187500 0.2153664 0.6991313), wk = 0.0016340 k( 577) = ( -0.2265625 0.2230580 0.6991313), wk = 0.0016340 k( 578) = ( -0.2343750 0.2307497 0.6991313), wk = 0.0016340 k( 579) = ( -0.2421875 0.2384413 0.6991313), wk = 0.0016340 k( 580) = ( -0.2500000 0.2461330 0.6991313), wk = 0.0016340 k( 581) = ( -0.2578125 0.2538246 0.6991313), wk = 0.0016340 k( 582) = ( -0.2656250 0.2615163 0.6991313), wk = 0.0016340 k( 583) = ( -0.2734375 0.2692080 0.6991313), wk = 0.0016340 k( 584) = ( -0.2812500 0.2768996 0.6991313), wk = 0.0016340 k( 585) = ( -0.2890625 0.2845913 0.6991313), wk = 0.0016340 k( 586) = ( -0.2968750 0.2922829 0.6991313), wk = 0.0016340 k( 587) = ( -0.3046875 0.2999746 0.6991313), wk = 0.0016340 k( 588) = ( -0.3125000 0.3076662 0.6991313), wk = 0.0016340 k( 589) = ( -0.3203125 0.3153579 0.6991313), wk = 0.0016340 k( 590) = ( -0.3281250 0.3230495 0.6991313), wk = 0.0016340 k( 591) = ( -0.3359375 0.3307412 0.6991313), wk = 0.0016340 k( 592) = ( -0.3437500 0.3384329 0.6991313), wk = 0.0016340 k( 593) = ( -0.3515625 0.3461245 0.6991313), wk = 0.0016340 k( 594) = ( -0.3593750 0.3538162 0.6991313), wk = 0.0016340 k( 595) = ( -0.3671875 0.3615078 0.6991313), wk = 0.0016340 k( 596) = ( -0.3750000 0.3691995 0.6991313), wk = 0.0016340 k( 597) = ( -0.3828125 0.3768911 0.6991313), wk = 0.0016340 k( 598) = ( -0.3906250 0.3845828 0.6991313), wk = 0.0016340 k( 599) = ( -0.3984375 0.3922744 0.6991313), wk = 0.0016340 k( 600) = ( -0.4062500 0.3999661 0.6991313), wk = 0.0016340 k( 601) = ( -0.4140625 0.4076578 0.6991313), wk = 0.0016340 k( 602) = ( -0.4218750 0.4153494 0.6991313), wk = 0.0016340 k( 603) = ( -0.4296875 0.4230411 0.6991313), wk = 0.0016340 k( 604) = ( -0.4375000 0.4307327 0.6991313), wk = 0.0016340 k( 605) = ( -0.4453125 0.4384244 0.6991313), wk = 0.0016340 k( 606) = ( -0.4531250 0.4461160 0.6991313), wk = 0.0016340 k( 607) = ( -0.4609375 0.4538077 0.6991313), wk = 0.0016340 k( 608) = ( -0.4687500 0.4614993 0.6991313), wk = 0.0016340 k( 609) = ( -0.4765625 0.4691910 0.6991313), wk = 0.0016340 k( 610) = ( -0.4843750 0.4768827 0.6991313), wk = 0.0016340 k( 611) = ( -0.4921875 0.4845743 0.6991313), wk = 0.0016340 k( 612) = ( -0.5000000 0.4922660 0.6991313), wk = 0.0016340 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016340 k( 2) = ( 0.0076926 0.0076926 0.0000000), wk = 0.0016340 k( 3) = ( 0.0153852 0.0153852 0.0000000), wk = 0.0016340 k( 4) = ( 0.0230778 0.0230778 0.0000000), wk = 0.0016340 k( 5) = ( 0.0307704 0.0307704 0.0000000), wk = 0.0016340 k( 6) = ( 0.0384630 0.0384630 0.0000000), wk = 0.0016340 k( 7) = ( 0.0461555 0.0461555 0.0000000), wk = 0.0016340 k( 8) = ( 0.0538481 0.0538481 0.0000000), wk = 0.0016340 k( 9) = ( 0.0615407 0.0615407 0.0000000), wk = 0.0016340 k( 10) = ( 0.0692333 0.0692333 -0.0000000), wk = 0.0016340 k( 11) = ( 0.0769259 0.0769259 0.0000000), wk = 0.0016340 k( 12) = ( 0.0846185 0.0846185 0.0000000), wk = 0.0016340 k( 13) = ( 0.0923111 0.0923111 0.0000000), wk = 0.0016340 k( 14) = ( 0.1000037 0.1000037 -0.0000000), wk = 0.0016340 k( 15) = ( 0.1076963 0.1076963 0.0000000), wk = 0.0016340 k( 16) = ( 0.1153889 0.1153889 0.0000000), wk = 0.0016340 k( 17) = ( 0.1230814 0.1230814 -0.0000000), wk = 0.0016340 k( 18) = ( 0.1307740 0.1307740 0.0000000), wk = 0.0016340 k( 19) = ( 0.1384666 0.1384666 0.0000000), wk = 0.0016340 k( 20) = ( 0.1461592 0.1461592 -0.0000000), wk = 0.0016340 k( 21) = ( 0.1538518 0.1538518 0.0000000), wk = 0.0016340 k( 22) = ( 0.1615444 0.1615444 -0.0000000), wk = 0.0016340 k( 23) = ( 0.1692370 0.1692370 0.0000000), wk = 0.0016340 k( 24) = ( 0.1769296 0.1769296 -0.0000000), wk = 0.0016340 k( 25) = ( 0.1846222 0.1846222 0.0000000), wk = 0.0016340 k( 26) = ( 0.1923148 0.1923148 -0.0000000), wk = 0.0016340 k( 27) = ( 0.2000074 0.2000073 0.0000000), wk = 0.0016340 k( 28) = ( 0.2076999 0.2076999 0.0000000), wk = 0.0016340 k( 29) = ( 0.2153925 0.2153925 -0.0000000), wk = 0.0016340 k( 30) = ( 0.2230851 0.2230851 0.0000000), wk = 0.0016340 k( 31) = ( 0.2307777 0.2307777 -0.0000000), wk = 0.0016340 k( 32) = ( 0.2384703 0.2384703 0.0000000), wk = 0.0016340 k( 33) = ( 0.2461629 0.2461629 -0.0000000), wk = 0.0016340 k( 34) = ( 0.2538555 0.2538555 -0.0000000), wk = 0.0016340 k( 35) = ( 0.2615481 0.2615481 -0.0000000), wk = 0.0016340 k( 36) = ( 0.2692407 0.2692407 0.0000000), wk = 0.0016340 k( 37) = ( 0.2769333 0.2769333 0.0000000), wk = 0.0016340 k( 38) = ( 0.2846258 0.2846258 0.0000000), wk = 0.0016340 k( 39) = ( 0.2923184 0.2923184 -0.0000000), wk = 0.0016340 k( 40) = ( 0.3000110 0.3000110 -0.0000000), wk = 0.0016340 k( 41) = ( 0.3077036 0.3077036 0.0000000), wk = 0.0016340 k( 42) = ( 0.3153962 0.3153962 0.0000000), wk = 0.0016340 k( 43) = ( 0.3230888 0.3230888 -0.0000000), wk = 0.0016340 k( 44) = ( 0.3307814 0.3307814 0.0000000), wk = 0.0016340 k( 45) = ( 0.3384740 0.3384740 0.0000000), wk = 0.0016340 k( 46) = ( 0.3461666 0.3461666 -0.0000000), wk = 0.0016340 k( 47) = ( 0.3538592 0.3538592 -0.0000000), wk = 0.0016340 k( 48) = ( 0.3615518 0.3615517 -0.0000000), wk = 0.0016340 k( 49) = ( 0.3692443 0.3692443 0.0000000), wk = 0.0016340 k( 50) = ( 0.3769369 0.3769369 0.0000000), wk = 0.0016340 k( 51) = ( 0.3846295 0.3846295 -0.0000000), wk = 0.0016340 k( 52) = ( 0.3923221 0.3923221 0.0000000), wk = 0.0016340 k( 53) = ( 0.4000147 0.4000147 0.0000000), wk = 0.0016340 k( 54) = ( 0.4077073 0.4077073 0.0000000), wk = 0.0016340 k( 55) = ( 0.4153999 0.4153999 0.0000000), wk = 0.0016340 k( 56) = ( 0.4230925 0.4230925 -0.0000000), wk = 0.0016340 k( 57) = ( 0.4307851 0.4307851 -0.0000000), wk = 0.0016340 k( 58) = ( 0.4384776 0.4384776 0.0000000), wk = 0.0016340 k( 59) = ( 0.4461702 0.4461702 0.0000000), wk = 0.0016340 k( 60) = ( 0.4538628 0.4538628 -0.0000000), wk = 0.0016340 k( 61) = ( 0.4615554 0.4615554 -0.0000000), wk = 0.0016340 k( 62) = ( 0.4692480 0.4692480 -0.0000000), wk = 0.0016340 k( 63) = ( 0.4769406 0.4769406 0.0000000), wk = 0.0016340 k( 64) = ( 0.4846332 0.4846332 0.0000000), wk = 0.0016340 k( 65) = ( 0.4923258 0.4923258 0.0000000), wk = 0.0016340 k( 66) = ( 0.4923258 0.4923258 0.0000000), wk = 0.0016340 k( 67) = ( 0.4813852 0.4924963 -0.0000000), wk = 0.0016340 k( 68) = ( 0.4704446 0.4926669 0.0000000), wk = 0.0016340 k( 69) = ( 0.4595041 0.4928374 0.0000000), wk = 0.0016340 k( 70) = ( 0.4485635 0.4930079 -0.0000000), wk = 0.0016340 k( 71) = ( 0.4376229 0.4931785 0.0000000), wk = 0.0016340 k( 72) = ( 0.4266823 0.4933490 0.0000000), wk = 0.0016340 k( 73) = ( 0.4157418 0.4935195 0.0000000), wk = 0.0016340 k( 74) = ( 0.4048012 0.4936901 0.0000000), wk = 0.0016340 k( 75) = ( 0.3938606 0.4938606 0.0000000), wk = 0.0016340 k( 76) = ( 0.3829201 0.4940312 0.0000000), wk = 0.0016340 k( 77) = ( 0.3719795 0.4942017 0.0000000), wk = 0.0016340 k( 78) = ( 0.3610389 0.4943722 0.0000000), wk = 0.0016340 k( 79) = ( 0.3500983 0.4945428 -0.0000000), wk = 0.0016340 k( 80) = ( 0.3391578 0.4947133 -0.0000000), wk = 0.0016340 k( 81) = ( 0.3282172 0.4948839 0.0000000), wk = 0.0016340 k( 82) = ( 0.3172766 0.4950544 -0.0000000), wk = 0.0016340 k( 83) = ( 0.3063360 0.4952249 0.0000000), wk = 0.0016340 k( 84) = ( 0.2953955 0.4953955 0.0000000), wk = 0.0016340 k( 85) = ( 0.2844549 0.4955660 0.0000000), wk = 0.0016340 k( 86) = ( 0.2735143 0.4957365 0.0000000), wk = 0.0016340 k( 87) = ( 0.2625737 0.4959071 0.0000000), wk = 0.0016340 k( 88) = ( 0.2516332 0.4960776 -0.0000000), wk = 0.0016340 k( 89) = ( 0.2406926 0.4962482 0.0000000), wk = 0.0016340 k( 90) = ( 0.2297520 0.4964187 -0.0000000), wk = 0.0016340 k( 91) = ( 0.2188115 0.4965892 -0.0000000), wk = 0.0016340 k( 92) = ( 0.2078709 0.4967598 0.0000000), wk = 0.0016340 k( 93) = ( 0.1969303 0.4969303 0.0000000), wk = 0.0016340 k( 94) = ( 0.1859897 0.4971008 0.0000000), wk = 0.0016340 k( 95) = ( 0.1750492 0.4972714 0.0000000), wk = 0.0016340 k( 96) = ( 0.1641086 0.4974419 -0.0000000), wk = 0.0016340 k( 97) = ( 0.1531680 0.4976125 0.0000000), wk = 0.0016340 k( 98) = ( 0.1422275 0.4977830 -0.0000000), wk = 0.0016340 k( 99) = ( 0.1312869 0.4979535 0.0000000), wk = 0.0016340 k( 100) = ( 0.1203463 0.4981241 -0.0000000), wk = 0.0016340 k( 101) = ( 0.1094057 0.4982946 0.0000000), wk = 0.0016340 k( 102) = ( 0.0984652 0.4984652 -0.0000000), wk = 0.0016340 k( 103) = ( 0.0875246 0.4986357 -0.0000000), wk = 0.0016340 k( 104) = ( 0.0765840 0.4988062 -0.0000000), wk = 0.0016340 k( 105) = ( 0.0656434 0.4989768 0.0000000), wk = 0.0016340 k( 106) = ( 0.0547029 0.4991473 -0.0000000), wk = 0.0016340 k( 107) = ( 0.0437623 0.4993178 0.0000000), wk = 0.0016340 k( 108) = ( 0.0328217 0.4994884 -0.0000000), wk = 0.0016340 k( 109) = ( 0.0218811 0.4996589 -0.0000000), wk = 0.0016340 k( 110) = ( 0.0109406 0.4998295 0.0000000), wk = 0.0016340 k( 111) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0016340 k( 112) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0016340 k( 113) = ( 0.0000000 0.5000000 0.0079365), wk = 0.0016340 k( 114) = ( 0.0000000 0.5000000 0.0158730), wk = 0.0016340 k( 115) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0016340 k( 116) = ( 0.0000000 0.5000000 0.0317460), wk = 0.0016340 k( 117) = ( 0.0000000 0.5000000 0.0396825), wk = 0.0016340 k( 118) = ( 0.0000000 0.5000000 0.0476190), wk = 0.0016340 k( 119) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0016340 k( 120) = ( 0.0000000 0.5000000 0.0634921), wk = 0.0016340 k( 121) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0016340 k( 122) = ( 0.0000000 0.5000000 0.0793651), wk = 0.0016340 k( 123) = ( 0.0000000 0.5000000 0.0873016), wk = 0.0016340 k( 124) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0016340 k( 125) = ( 0.0000000 0.5000000 0.1031746), wk = 0.0016340 k( 126) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0016340 k( 127) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0016340 k( 128) = ( 0.0000000 0.5000000 0.1269841), wk = 0.0016340 k( 129) = ( 0.0000000 0.5000000 0.1349206), wk = 0.0016340 k( 130) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0016340 k( 131) = ( 0.0000000 0.5000000 0.1507936), wk = 0.0016340 k( 132) = ( 0.0000000 0.5000000 0.1587302), wk = 0.0016340 k( 133) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0016340 k( 134) = ( 0.0000000 0.5000000 0.1746032), wk = 0.0016340 k( 135) = ( 0.0000000 0.5000000 0.1825397), wk = 0.0016340 k( 136) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0016340 k( 137) = ( 0.0000000 0.5000000 0.1984127), wk = 0.0016340 k( 138) = ( 0.0000000 0.5000000 0.2063492), wk = 0.0016340 k( 139) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0016340 k( 140) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0016340 k( 141) = ( 0.0000000 0.5000000 0.2301587), wk = 0.0016340 k( 142) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0016340 k( 143) = ( 0.0000000 0.5000000 0.2460317), wk = 0.0016340 k( 144) = ( 0.0000000 0.5000000 0.2539683), wk = 0.0016340 k( 145) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0016340 k( 146) = ( 0.0000000 0.5000000 0.2698413), wk = 0.0016340 k( 147) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0016340 k( 148) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0016340 k( 149) = ( 0.0000000 0.5000000 0.2936508), wk = 0.0016340 k( 150) = ( 0.0000000 0.5000000 0.3015873), wk = 0.0016340 k( 151) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0016340 k( 152) = ( 0.0000000 0.5000000 0.3174603), wk = 0.0016340 k( 153) = ( 0.0000000 0.5000000 0.3253968), wk = 0.0016340 k( 154) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0016340 k( 155) = ( 0.0000000 0.5000000 0.3412698), wk = 0.0016340 k( 156) = ( 0.0000000 0.5000000 0.3492063), wk = 0.0016340 k( 157) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0016340 k( 158) = ( 0.0000000 0.5000000 0.3650794), wk = 0.0016340 k( 159) = ( 0.0000000 0.5000000 0.3730159), wk = 0.0016340 k( 160) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0016340 k( 161) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0016340 k( 162) = ( 0.0000000 0.5000000 0.3968254), wk = 0.0016340 k( 163) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0016340 k( 164) = ( 0.0000000 0.5000000 0.4126984), wk = 0.0016340 k( 165) = ( 0.0000000 0.5000000 0.4206349), wk = 0.0016340 k( 166) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0016340 k( 167) = ( 0.0000000 0.5000000 0.4365079), wk = 0.0016340 k( 168) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0016340 k( 169) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0016340 k( 170) = ( 0.0000000 0.5000000 0.4603175), wk = 0.0016340 k( 171) = ( 0.0000000 0.5000000 0.4682540), wk = 0.0016340 k( 172) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0016340 k( 173) = ( 0.0000000 0.5000000 0.4841270), wk = 0.0016340 k( 174) = ( 0.0000000 0.5000000 0.4920635), wk = 0.0016340 k( 175) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0016340 k( 176) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0016340 k( 177) = ( 0.0109406 0.4998295 0.5000000), wk = 0.0016340 k( 178) = ( 0.0218811 0.4996589 0.5000000), wk = 0.0016340 k( 179) = ( 0.0328217 0.4994884 0.5000000), wk = 0.0016340 k( 180) = ( 0.0437623 0.4993178 0.5000000), wk = 0.0016340 k( 181) = ( 0.0547029 0.4991473 0.5000000), wk = 0.0016340 k( 182) = ( 0.0656434 0.4989768 0.5000000), wk = 0.0016340 k( 183) = ( 0.0765840 0.4988062 0.5000000), wk = 0.0016340 k( 184) = ( 0.0875246 0.4986357 0.5000000), wk = 0.0016340 k( 185) = ( 0.0984652 0.4984652 0.5000000), wk = 0.0016340 k( 186) = ( 0.1094057 0.4982946 0.5000000), wk = 0.0016340 k( 187) = ( 0.1203463 0.4981241 0.5000000), wk = 0.0016340 k( 188) = ( 0.1312869 0.4979535 0.5000000), wk = 0.0016340 k( 189) = ( 0.1422275 0.4977830 0.5000000), wk = 0.0016340 k( 190) = ( 0.1531680 0.4976125 0.5000000), wk = 0.0016340 k( 191) = ( 0.1641086 0.4974419 0.5000000), wk = 0.0016340 k( 192) = ( 0.1750492 0.4972714 0.5000000), wk = 0.0016340 k( 193) = ( 0.1859897 0.4971008 0.5000000), wk = 0.0016340 k( 194) = ( 0.1969303 0.4969303 0.5000000), wk = 0.0016340 k( 195) = ( 0.2078709 0.4967598 0.5000000), wk = 0.0016340 k( 196) = ( 0.2188115 0.4965892 0.5000000), wk = 0.0016340 k( 197) = ( 0.2297520 0.4964187 0.5000000), wk = 0.0016340 k( 198) = ( 0.2406926 0.4962482 0.5000000), wk = 0.0016340 k( 199) = ( 0.2516332 0.4960776 0.5000000), wk = 0.0016340 k( 200) = ( 0.2625737 0.4959071 0.5000000), wk = 0.0016340 k( 201) = ( 0.2735143 0.4957365 0.5000000), wk = 0.0016340 k( 202) = ( 0.2844549 0.4955660 0.5000000), wk = 0.0016340 k( 203) = ( 0.2953955 0.4953955 0.5000000), wk = 0.0016340 k( 204) = ( 0.3063360 0.4952249 0.5000000), wk = 0.0016340 k( 205) = ( 0.3172766 0.4950544 0.5000000), wk = 0.0016340 k( 206) = ( 0.3282172 0.4948839 0.5000000), wk = 0.0016340 k( 207) = ( 0.3391578 0.4947133 0.5000000), wk = 0.0016340 k( 208) = ( 0.3500983 0.4945428 0.5000000), wk = 0.0016340 k( 209) = ( 0.3610389 0.4943722 0.5000000), wk = 0.0016340 k( 210) = ( 0.3719795 0.4942017 0.5000000), wk = 0.0016340 k( 211) = ( 0.3829201 0.4940312 0.5000000), wk = 0.0016340 k( 212) = ( 0.3938606 0.4938606 0.5000000), wk = 0.0016340 k( 213) = ( 0.4048012 0.4936901 0.5000000), wk = 0.0016340 k( 214) = ( 0.4157418 0.4935195 0.5000000), wk = 0.0016340 k( 215) = ( 0.4266823 0.4933490 0.5000000), wk = 0.0016340 k( 216) = ( 0.4376229 0.4931785 0.5000000), wk = 0.0016340 k( 217) = ( 0.4485635 0.4930079 0.5000000), wk = 0.0016340 k( 218) = ( 0.4595041 0.4928374 0.5000000), wk = 0.0016340 k( 219) = ( 0.4704446 0.4926669 0.5000000), wk = 0.0016340 k( 220) = ( 0.4813852 0.4924963 0.5000000), wk = 0.0016340 k( 221) = ( 0.4923258 0.4923258 0.5000000), wk = 0.0016340 k( 222) = ( 0.4923258 0.4923258 0.5000000), wk = 0.0016340 k( 223) = ( 0.4846332 0.4846332 0.5000000), wk = 0.0016340 k( 224) = ( 0.4769406 0.4769406 0.5000000), wk = 0.0016340 k( 225) = ( 0.4692480 0.4692480 0.5000000), wk = 0.0016340 k( 226) = ( 0.4615554 0.4615554 0.5000000), wk = 0.0016340 k( 227) = ( 0.4538628 0.4538628 0.5000000), wk = 0.0016340 k( 228) = ( 0.4461702 0.4461702 0.5000000), wk = 0.0016340 k( 229) = ( 0.4384776 0.4384776 0.5000000), wk = 0.0016340 k( 230) = ( 0.4307851 0.4307851 0.5000000), wk = 0.0016340 k( 231) = ( 0.4230925 0.4230925 0.5000000), wk = 0.0016340 k( 232) = ( 0.4153999 0.4153999 0.5000000), wk = 0.0016340 k( 233) = ( 0.4077073 0.4077073 0.5000000), wk = 0.0016340 k( 234) = ( 0.4000147 0.4000147 0.5000000), wk = 0.0016340 k( 235) = ( 0.3923221 0.3923221 0.5000000), wk = 0.0016340 k( 236) = ( 0.3846295 0.3846295 0.5000000), wk = 0.0016340 k( 237) = ( 0.3769369 0.3769369 0.5000000), wk = 0.0016340 k( 238) = ( 0.3692443 0.3692443 0.5000000), wk = 0.0016340 k( 239) = ( 0.3615518 0.3615517 0.5000000), wk = 0.0016340 k( 240) = ( 0.3538592 0.3538592 0.5000000), wk = 0.0016340 k( 241) = ( 0.3461666 0.3461666 0.5000000), wk = 0.0016340 k( 242) = ( 0.3384740 0.3384740 0.5000000), wk = 0.0016340 k( 243) = ( 0.3307814 0.3307814 0.5000000), wk = 0.0016340 k( 244) = ( 0.3230888 0.3230888 0.5000000), wk = 0.0016340 k( 245) = ( 0.3153962 0.3153962 0.5000000), wk = 0.0016340 k( 246) = ( 0.3077036 0.3077036 0.5000000), wk = 0.0016340 k( 247) = ( 0.3000110 0.3000110 0.5000000), wk = 0.0016340 k( 248) = ( 0.2923184 0.2923184 0.5000000), wk = 0.0016340 k( 249) = ( 0.2846258 0.2846258 0.5000000), wk = 0.0016340 k( 250) = ( 0.2769333 0.2769333 0.5000000), wk = 0.0016340 k( 251) = ( 0.2692407 0.2692407 0.5000000), wk = 0.0016340 k( 252) = ( 0.2615481 0.2615481 0.5000000), wk = 0.0016340 k( 253) = ( 0.2538555 0.2538555 0.5000000), wk = 0.0016340 k( 254) = ( 0.2461629 0.2461629 0.5000000), wk = 0.0016340 k( 255) = ( 0.2384703 0.2384703 0.5000000), wk = 0.0016340 k( 256) = ( 0.2307777 0.2307777 0.5000000), wk = 0.0016340 k( 257) = ( 0.2230851 0.2230851 0.5000000), wk = 0.0016340 k( 258) = ( 0.2153925 0.2153925 0.5000000), wk = 0.0016340 k( 259) = ( 0.2076999 0.2076999 0.5000000), wk = 0.0016340 k( 260) = ( 0.2000074 0.2000073 0.5000000), wk = 0.0016340 k( 261) = ( 0.1923148 0.1923148 0.5000000), wk = 0.0016340 k( 262) = ( 0.1846222 0.1846222 0.5000000), wk = 0.0016340 k( 263) = ( 0.1769296 0.1769296 0.5000000), wk = 0.0016340 k( 264) = ( 0.1692370 0.1692370 0.5000000), wk = 0.0016340 k( 265) = ( 0.1615444 0.1615444 0.5000000), wk = 0.0016340 k( 266) = ( 0.1538518 0.1538518 0.5000000), wk = 0.0016340 k( 267) = ( 0.1461592 0.1461592 0.5000000), wk = 0.0016340 k( 268) = ( 0.1384666 0.1384666 0.5000000), wk = 0.0016340 k( 269) = ( 0.1307740 0.1307740 0.5000000), wk = 0.0016340 k( 270) = ( 0.1230814 0.1230814 0.5000000), wk = 0.0016340 k( 271) = ( 0.1153889 0.1153889 0.5000000), wk = 0.0016340 k( 272) = ( 0.1076963 0.1076963 0.5000000), wk = 0.0016340 k( 273) = ( 0.1000037 0.1000037 0.5000000), wk = 0.0016340 k( 274) = ( 0.0923111 0.0923111 0.5000000), wk = 0.0016340 k( 275) = ( 0.0846185 0.0846185 0.5000000), wk = 0.0016340 k( 276) = ( 0.0769259 0.0769259 0.5000000), wk = 0.0016340 k( 277) = ( 0.0692333 0.0692333 0.5000000), wk = 0.0016340 k( 278) = ( 0.0615407 0.0615407 0.5000000), wk = 0.0016340 k( 279) = ( 0.0538481 0.0538481 0.5000000), wk = 0.0016340 k( 280) = ( 0.0461555 0.0461555 0.5000000), wk = 0.0016340 k( 281) = ( 0.0384630 0.0384630 0.5000000), wk = 0.0016340 k( 282) = ( 0.0307704 0.0307704 0.5000000), wk = 0.0016340 k( 283) = ( 0.0230778 0.0230778 0.5000000), wk = 0.0016340 k( 284) = ( 0.0153852 0.0153852 0.5000000), wk = 0.0016340 k( 285) = ( 0.0076926 0.0076926 0.5000000), wk = 0.0016340 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0016340 k( 287) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0016340 k( 288) = ( 0.0000000 0.0000000 0.4920635), wk = 0.0016340 k( 289) = ( 0.0000000 0.0000000 0.4841270), wk = 0.0016340 k( 290) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0016340 k( 291) = ( 0.0000000 0.0000000 0.4682540), wk = 0.0016340 k( 292) = ( 0.0000000 0.0000000 0.4603175), wk = 0.0016340 k( 293) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0016340 k( 294) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0016340 k( 295) = ( 0.0000000 0.0000000 0.4365079), wk = 0.0016340 k( 296) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0016340 k( 297) = ( 0.0000000 0.0000000 0.4206349), wk = 0.0016340 k( 298) = ( 0.0000000 0.0000000 0.4126984), wk = 0.0016340 k( 299) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0016340 k( 300) = ( 0.0000000 0.0000000 0.3968254), wk = 0.0016340 k( 301) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0016340 k( 302) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0016340 k( 303) = ( 0.0000000 0.0000000 0.3730159), wk = 0.0016340 k( 304) = ( 0.0000000 0.0000000 0.3650794), wk = 0.0016340 k( 305) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0016340 k( 306) = ( 0.0000000 0.0000000 0.3492063), wk = 0.0016340 k( 307) = ( 0.0000000 0.0000000 0.3412698), wk = 0.0016340 k( 308) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0016340 k( 309) = ( 0.0000000 0.0000000 0.3253968), wk = 0.0016340 k( 310) = ( 0.0000000 0.0000000 0.3174603), wk = 0.0016340 k( 311) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0016340 k( 312) = ( 0.0000000 0.0000000 0.3015873), wk = 0.0016340 k( 313) = ( 0.0000000 0.0000000 0.2936508), wk = 0.0016340 k( 314) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0016340 k( 315) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0016340 k( 316) = ( 0.0000000 0.0000000 0.2698413), wk = 0.0016340 k( 317) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0016340 k( 318) = ( 0.0000000 0.0000000 0.2539683), wk = 0.0016340 k( 319) = ( 0.0000000 0.0000000 0.2460317), wk = 0.0016340 k( 320) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0016340 k( 321) = ( 0.0000000 0.0000000 0.2301587), wk = 0.0016340 k( 322) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0016340 k( 323) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0016340 k( 324) = ( 0.0000000 0.0000000 0.2063492), wk = 0.0016340 k( 325) = ( 0.0000000 0.0000000 0.1984127), wk = 0.0016340 k( 326) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0016340 k( 327) = ( 0.0000000 0.0000000 0.1825397), wk = 0.0016340 k( 328) = ( 0.0000000 0.0000000 0.1746032), wk = 0.0016340 k( 329) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0016340 k( 330) = ( 0.0000000 0.0000000 0.1587302), wk = 0.0016340 k( 331) = ( 0.0000000 0.0000000 0.1507937), wk = 0.0016340 k( 332) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0016340 k( 333) = ( 0.0000000 0.0000000 0.1349206), wk = 0.0016340 k( 334) = ( 0.0000000 0.0000000 0.1269841), wk = 0.0016340 k( 335) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0016340 k( 336) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0016340 k( 337) = ( 0.0000000 0.0000000 0.1031746), wk = 0.0016340 k( 338) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0016340 k( 339) = ( 0.0000000 0.0000000 0.0873016), wk = 0.0016340 k( 340) = ( 0.0000000 0.0000000 0.0793651), wk = 0.0016340 k( 341) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0016340 k( 342) = ( 0.0000000 0.0000000 0.0634921), wk = 0.0016340 k( 343) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0016340 k( 344) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0016340 k( 345) = ( 0.0000000 0.0000000 0.0396825), wk = 0.0016340 k( 346) = ( 0.0000000 0.0000000 0.0317460), wk = 0.0016340 k( 347) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0016340 k( 348) = ( 0.0000000 0.0000000 0.0158730), wk = 0.0016340 k( 349) = ( 0.0000000 0.0000000 0.0079365), wk = 0.0016340 k( 350) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016340 k( 351) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016340 k( 352) = ( -0.0078125 0.0078125 -0.0000000), wk = 0.0016340 k( 353) = ( -0.0156250 0.0156250 -0.0000000), wk = 0.0016340 k( 354) = ( -0.0234375 0.0234375 -0.0000000), wk = 0.0016340 k( 355) = ( -0.0312500 0.0312500 -0.0000000), wk = 0.0016340 k( 356) = ( -0.0390625 0.0390625 0.0000000), wk = 0.0016340 k( 357) = ( -0.0468750 0.0468750 -0.0000000), wk = 0.0016340 k( 358) = ( -0.0546875 0.0546875 -0.0000000), wk = 0.0016340 k( 359) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0016340 k( 360) = ( -0.0703125 0.0703125 -0.0000000), wk = 0.0016340 k( 361) = ( -0.0781250 0.0781250 0.0000000), wk = 0.0016340 k( 362) = ( -0.0859375 0.0859375 -0.0000000), wk = 0.0016340 k( 363) = ( -0.0937500 0.0937500 -0.0000000), wk = 0.0016340 k( 364) = ( -0.1015625 0.1015625 -0.0000000), wk = 0.0016340 k( 365) = ( -0.1093750 0.1093750 -0.0000000), wk = 0.0016340 k( 366) = ( -0.1171875 0.1171875 -0.0000000), wk = 0.0016340 k( 367) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0016340 k( 368) = ( -0.1328125 0.1328125 -0.0000000), wk = 0.0016340 k( 369) = ( -0.1406250 0.1406250 -0.0000000), wk = 0.0016340 k( 370) = ( -0.1484375 0.1484375 0.0000000), wk = 0.0016340 k( 371) = ( -0.1562500 0.1562500 0.0000000), wk = 0.0016340 k( 372) = ( -0.1640625 0.1640625 -0.0000000), wk = 0.0016340 k( 373) = ( -0.1718750 0.1718750 -0.0000000), wk = 0.0016340 k( 374) = ( -0.1796875 0.1796875 -0.0000000), wk = 0.0016340 k( 375) = ( -0.1875000 0.1875000 -0.0000000), wk = 0.0016340 k( 376) = ( -0.1953125 0.1953125 -0.0000000), wk = 0.0016340 k( 377) = ( -0.2031250 0.2031250 -0.0000000), wk = 0.0016340 k( 378) = ( -0.2109375 0.2109375 -0.0000000), wk = 0.0016340 k( 379) = ( -0.2187500 0.2187500 -0.0000000), wk = 0.0016340 k( 380) = ( -0.2265625 0.2265625 -0.0000000), wk = 0.0016340 k( 381) = ( -0.2343750 0.2343750 -0.0000000), wk = 0.0016340 k( 382) = ( -0.2421875 0.2421875 -0.0000000), wk = 0.0016340 k( 383) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0016340 k( 384) = ( -0.2578125 0.2578125 -0.0000000), wk = 0.0016340 k( 385) = ( -0.2656250 0.2656250 -0.0000000), wk = 0.0016340 k( 386) = ( -0.2734375 0.2734375 -0.0000000), wk = 0.0016340 k( 387) = ( -0.2812500 0.2812500 -0.0000000), wk = 0.0016340 k( 388) = ( -0.2890625 0.2890625 -0.0000000), wk = 0.0016340 k( 389) = ( -0.2968750 0.2968750 0.0000000), wk = 0.0016340 k( 390) = ( -0.3046875 0.3046875 -0.0000000), wk = 0.0016340 k( 391) = ( -0.3125000 0.3125000 0.0000000), wk = 0.0016340 k( 392) = ( -0.3203125 0.3203125 -0.0000000), wk = 0.0016340 k( 393) = ( -0.3281250 0.3281250 -0.0000000), wk = 0.0016340 k( 394) = ( -0.3359375 0.3359375 -0.0000000), wk = 0.0016340 k( 395) = ( -0.3437500 0.3437500 -0.0000000), wk = 0.0016340 k( 396) = ( -0.3515625 0.3515625 -0.0000000), wk = 0.0016340 k( 397) = ( -0.3593750 0.3593750 -0.0000000), wk = 0.0016340 k( 398) = ( -0.3671875 0.3671875 -0.0000000), wk = 0.0016340 k( 399) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0016340 k( 400) = ( -0.3828125 0.3828125 -0.0000000), wk = 0.0016340 k( 401) = ( -0.3906250 0.3906250 -0.0000000), wk = 0.0016340 k( 402) = ( -0.3984375 0.3984375 -0.0000000), wk = 0.0016340 k( 403) = ( -0.4062500 0.4062500 -0.0000000), wk = 0.0016340 k( 404) = ( -0.4140625 0.4140625 -0.0000000), wk = 0.0016340 k( 405) = ( -0.4218750 0.4218750 -0.0000000), wk = 0.0016340 k( 406) = ( -0.4296875 0.4296875 0.0000000), wk = 0.0016340 k( 407) = ( -0.4375000 0.4375000 -0.0000000), wk = 0.0016340 k( 408) = ( -0.4453125 0.4453125 0.0000000), wk = 0.0016340 k( 409) = ( -0.4531250 0.4531250 -0.0000000), wk = 0.0016340 k( 410) = ( -0.4609375 0.4609375 -0.0000000), wk = 0.0016340 k( 411) = ( -0.4687500 0.4687500 -0.0000000), wk = 0.0016340 k( 412) = ( -0.4765625 0.4765625 -0.0000000), wk = 0.0016340 k( 413) = ( -0.4843750 0.4843750 -0.0000000), wk = 0.0016340 k( 414) = ( -0.4921875 0.4921875 -0.0000000), wk = 0.0016340 k( 415) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0016340 k( 416) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0016340 k( 417) = ( -0.4923258 0.5076742 0.0000000), wk = 0.0016340 k( 418) = ( -0.4923258 0.5076742 0.0000000), wk = 0.0016340 k( 419) = ( -0.4923258 0.5076742 0.0079365), wk = 0.0016340 k( 420) = ( -0.4923258 0.5076742 0.0158730), wk = 0.0016340 k( 421) = ( -0.4923258 0.5076742 0.0238095), wk = 0.0016340 k( 422) = ( -0.4923258 0.5076742 0.0317460), wk = 0.0016340 k( 423) = ( -0.4923258 0.5076742 0.0396825), wk = 0.0016340 k( 424) = ( -0.4923258 0.5076742 0.0476191), wk = 0.0016340 k( 425) = ( -0.4923258 0.5076742 0.0555556), wk = 0.0016340 k( 426) = ( -0.4923258 0.5076742 0.0634921), wk = 0.0016340 k( 427) = ( -0.4923258 0.5076742 0.0714286), wk = 0.0016340 k( 428) = ( -0.4923258 0.5076742 0.0793651), wk = 0.0016340 k( 429) = ( -0.4923258 0.5076742 0.0873016), wk = 0.0016340 k( 430) = ( -0.4923258 0.5076742 0.0952381), wk = 0.0016340 k( 431) = ( -0.4923258 0.5076742 0.1031746), wk = 0.0016340 k( 432) = ( -0.4923258 0.5076742 0.1111111), wk = 0.0016340 k( 433) = ( -0.4923258 0.5076742 0.1190476), wk = 0.0016340 k( 434) = ( -0.4923258 0.5076742 0.1269841), wk = 0.0016340 k( 435) = ( -0.4923258 0.5076742 0.1349206), wk = 0.0016340 k( 436) = ( -0.4923258 0.5076742 0.1428571), wk = 0.0016340 k( 437) = ( -0.4923258 0.5076742 0.1507937), wk = 0.0016340 k( 438) = ( -0.4923258 0.5076742 0.1587302), wk = 0.0016340 k( 439) = ( -0.4923258 0.5076742 0.1666667), wk = 0.0016340 k( 440) = ( -0.4923258 0.5076742 0.1746032), wk = 0.0016340 k( 441) = ( -0.4923258 0.5076742 0.1825397), wk = 0.0016340 k( 442) = ( -0.4923258 0.5076742 0.1904762), wk = 0.0016340 k( 443) = ( -0.4923258 0.5076742 0.1984127), wk = 0.0016340 k( 444) = ( -0.4923258 0.5076742 0.2063492), wk = 0.0016340 k( 445) = ( -0.4923258 0.5076742 0.2142857), wk = 0.0016340 k( 446) = ( -0.4923258 0.5076742 0.2222222), wk = 0.0016340 k( 447) = ( -0.4923258 0.5076742 0.2301587), wk = 0.0016340 k( 448) = ( -0.4923258 0.5076742 0.2380952), wk = 0.0016340 k( 449) = ( -0.4923258 0.5076742 0.2460317), wk = 0.0016340 k( 450) = ( -0.4923258 0.5076742 0.2539683), wk = 0.0016340 k( 451) = ( -0.4923258 0.5076742 0.2619048), wk = 0.0016340 k( 452) = ( -0.4923258 0.5076742 0.2698413), wk = 0.0016340 k( 453) = ( -0.4923258 0.5076742 0.2777778), wk = 0.0016340 k( 454) = ( -0.4923258 0.5076742 0.2857143), wk = 0.0016340 k( 455) = ( -0.4923258 0.5076742 0.2936508), wk = 0.0016340 k( 456) = ( -0.4923258 0.5076742 0.3015873), wk = 0.0016340 k( 457) = ( -0.4923258 0.5076742 0.3095238), wk = 0.0016340 k( 458) = ( -0.4923258 0.5076742 0.3174603), wk = 0.0016340 k( 459) = ( -0.4923258 0.5076742 0.3253968), wk = 0.0016340 k( 460) = ( -0.4923258 0.5076742 0.3333333), wk = 0.0016340 k( 461) = ( -0.4923258 0.5076742 0.3412698), wk = 0.0016340 k( 462) = ( -0.4923258 0.5076742 0.3492063), wk = 0.0016340 k( 463) = ( -0.4923258 0.5076742 0.3571429), wk = 0.0016340 k( 464) = ( -0.4923258 0.5076742 0.3650794), wk = 0.0016340 k( 465) = ( -0.4923258 0.5076742 0.3730159), wk = 0.0016340 k( 466) = ( -0.4923258 0.5076742 0.3809524), wk = 0.0016340 k( 467) = ( -0.4923258 0.5076742 0.3888889), wk = 0.0016340 k( 468) = ( -0.4923258 0.5076742 0.3968254), wk = 0.0016340 k( 469) = ( -0.4923258 0.5076742 0.4047619), wk = 0.0016340 k( 470) = ( -0.4923258 0.5076742 0.4126984), wk = 0.0016340 k( 471) = ( -0.4923258 0.5076742 0.4206349), wk = 0.0016340 k( 472) = ( -0.4923258 0.5076742 0.4285714), wk = 0.0016340 k( 473) = ( -0.4923258 0.5076742 0.4365079), wk = 0.0016340 k( 474) = ( -0.4923258 0.5076742 0.4444444), wk = 0.0016340 k( 475) = ( -0.4923258 0.5076742 0.4523810), wk = 0.0016340 k( 476) = ( -0.4923258 0.5076742 0.4603175), wk = 0.0016340 k( 477) = ( -0.4923258 0.5076742 0.4682540), wk = 0.0016340 k( 478) = ( -0.4923258 0.5076742 0.4761905), wk = 0.0016340 k( 479) = ( -0.4923258 0.5076742 0.4841270), wk = 0.0016340 k( 480) = ( -0.4923258 0.5076742 0.4920635), wk = 0.0016340 k( 481) = ( -0.4923258 0.5076742 0.5000000), wk = 0.0016340 k( 482) = ( -0.4923258 0.5076742 0.5000000), wk = 0.0016340 k( 483) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0016340 k( 484) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0016340 k( 485) = ( -0.5000000 0.5000000 0.4920635), wk = 0.0016340 k( 486) = ( -0.5000000 0.5000000 0.4841270), wk = 0.0016340 k( 487) = ( -0.5000000 0.5000000 0.4761905), wk = 0.0016340 k( 488) = ( -0.5000000 0.5000000 0.4682540), wk = 0.0016340 k( 489) = ( -0.5000000 0.5000000 0.4603175), wk = 0.0016340 k( 490) = ( -0.5000000 0.5000000 0.4523810), wk = 0.0016340 k( 491) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0016340 k( 492) = ( -0.5000000 0.5000000 0.4365079), wk = 0.0016340 k( 493) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0016340 k( 494) = ( -0.5000000 0.5000000 0.4206349), wk = 0.0016340 k( 495) = ( -0.5000000 0.5000000 0.4126984), wk = 0.0016340 k( 496) = ( -0.5000000 0.5000000 0.4047619), wk = 0.0016340 k( 497) = ( -0.5000000 0.5000000 0.3968254), wk = 0.0016340 k( 498) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0016340 k( 499) = ( -0.5000000 0.5000000 0.3809524), wk = 0.0016340 k( 500) = ( -0.5000000 0.5000000 0.3730159), wk = 0.0016340 k( 501) = ( -0.5000000 0.5000000 0.3650794), wk = 0.0016340 k( 502) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0016340 k( 503) = ( -0.5000000 0.5000000 0.3492063), wk = 0.0016340 k( 504) = ( -0.5000000 0.5000000 0.3412698), wk = 0.0016340 k( 505) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0016340 k( 506) = ( -0.5000000 0.5000000 0.3253968), wk = 0.0016340 k( 507) = ( -0.5000000 0.5000000 0.3174603), wk = 0.0016340 k( 508) = ( -0.5000000 0.5000000 0.3095238), wk = 0.0016340 k( 509) = ( -0.5000000 0.5000000 0.3015873), wk = 0.0016340 k( 510) = ( -0.5000000 0.5000000 0.2936508), wk = 0.0016340 k( 511) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0016340 k( 512) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0016340 k( 513) = ( -0.5000000 0.5000000 0.2698413), wk = 0.0016340 k( 514) = ( -0.5000000 0.5000000 0.2619048), wk = 0.0016340 k( 515) = ( -0.5000000 0.5000000 0.2539683), wk = 0.0016340 k( 516) = ( -0.5000000 0.5000000 0.2460317), wk = 0.0016340 k( 517) = ( -0.5000000 0.5000000 0.2380952), wk = 0.0016340 k( 518) = ( -0.5000000 0.5000000 0.2301587), wk = 0.0016340 k( 519) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0016340 k( 520) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0016340 k( 521) = ( -0.5000000 0.5000000 0.2063492), wk = 0.0016340 k( 522) = ( -0.5000000 0.5000000 0.1984127), wk = 0.0016340 k( 523) = ( -0.5000000 0.5000000 0.1904762), wk = 0.0016340 k( 524) = ( -0.5000000 0.5000000 0.1825397), wk = 0.0016340 k( 525) = ( -0.5000000 0.5000000 0.1746032), wk = 0.0016340 k( 526) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0016340 k( 527) = ( -0.5000000 0.5000000 0.1587302), wk = 0.0016340 k( 528) = ( -0.5000000 0.5000000 0.1507937), wk = 0.0016340 k( 529) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0016340 k( 530) = ( -0.5000000 0.5000000 0.1349206), wk = 0.0016340 k( 531) = ( -0.5000000 0.5000000 0.1269841), wk = 0.0016340 k( 532) = ( -0.5000000 0.5000000 0.1190476), wk = 0.0016340 k( 533) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0016340 k( 534) = ( -0.5000000 0.5000000 0.1031746), wk = 0.0016340 k( 535) = ( -0.5000000 0.5000000 0.0952381), wk = 0.0016340 k( 536) = ( -0.5000000 0.5000000 0.0873016), wk = 0.0016340 k( 537) = ( -0.5000000 0.5000000 0.0793651), wk = 0.0016340 k( 538) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0016340 k( 539) = ( -0.5000000 0.5000000 0.0634921), wk = 0.0016340 k( 540) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0016340 k( 541) = ( -0.5000000 0.5000000 0.0476191), wk = 0.0016340 k( 542) = ( -0.5000000 0.5000000 0.0396825), wk = 0.0016340 k( 543) = ( -0.5000000 0.5000000 0.0317460), wk = 0.0016340 k( 544) = ( -0.5000000 0.5000000 0.0238095), wk = 0.0016340 k( 545) = ( -0.5000000 0.5000000 0.0158730), wk = 0.0016340 k( 546) = ( -0.5000000 0.5000000 0.0079365), wk = 0.0016340 k( 547) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0016340 k( 548) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0016340 k( 549) = ( -0.0078125 0.0078125 0.5000000), wk = 0.0016340 k( 550) = ( -0.0156250 0.0156250 0.5000000), wk = 0.0016340 k( 551) = ( -0.0234375 0.0234375 0.5000000), wk = 0.0016340 k( 552) = ( -0.0312500 0.0312500 0.5000000), wk = 0.0016340 k( 553) = ( -0.0390625 0.0390625 0.5000000), wk = 0.0016340 k( 554) = ( -0.0468750 0.0468750 0.5000000), wk = 0.0016340 k( 555) = ( -0.0546875 0.0546875 0.5000000), wk = 0.0016340 k( 556) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0016340 k( 557) = ( -0.0703125 0.0703125 0.5000000), wk = 0.0016340 k( 558) = ( -0.0781250 0.0781250 0.5000000), wk = 0.0016340 k( 559) = ( -0.0859375 0.0859375 0.5000000), wk = 0.0016340 k( 560) = ( -0.0937500 0.0937500 0.5000000), wk = 0.0016340 k( 561) = ( -0.1015625 0.1015625 0.5000000), wk = 0.0016340 k( 562) = ( -0.1093750 0.1093750 0.5000000), wk = 0.0016340 k( 563) = ( -0.1171875 0.1171875 0.5000000), wk = 0.0016340 k( 564) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0016340 k( 565) = ( -0.1328125 0.1328125 0.5000000), wk = 0.0016340 k( 566) = ( -0.1406250 0.1406250 0.5000000), wk = 0.0016340 k( 567) = ( -0.1484375 0.1484375 0.5000000), wk = 0.0016340 k( 568) = ( -0.1562500 0.1562500 0.5000000), wk = 0.0016340 k( 569) = ( -0.1640625 0.1640625 0.5000000), wk = 0.0016340 k( 570) = ( -0.1718750 0.1718750 0.5000000), wk = 0.0016340 k( 571) = ( -0.1796875 0.1796875 0.5000000), wk = 0.0016340 k( 572) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0016340 k( 573) = ( -0.1953125 0.1953125 0.5000000), wk = 0.0016340 k( 574) = ( -0.2031250 0.2031250 0.5000000), wk = 0.0016340 k( 575) = ( -0.2109375 0.2109375 0.5000000), wk = 0.0016340 k( 576) = ( -0.2187500 0.2187500 0.5000000), wk = 0.0016340 k( 577) = ( -0.2265625 0.2265625 0.5000000), wk = 0.0016340 k( 578) = ( -0.2343750 0.2343750 0.5000000), wk = 0.0016340 k( 579) = ( -0.2421875 0.2421875 0.5000000), wk = 0.0016340 k( 580) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0016340 k( 581) = ( -0.2578125 0.2578125 0.5000000), wk = 0.0016340 k( 582) = ( -0.2656250 0.2656250 0.5000000), wk = 0.0016340 k( 583) = ( -0.2734375 0.2734375 0.5000000), wk = 0.0016340 k( 584) = ( -0.2812500 0.2812500 0.5000000), wk = 0.0016340 k( 585) = ( -0.2890625 0.2890625 0.5000000), wk = 0.0016340 k( 586) = ( -0.2968750 0.2968750 0.5000000), wk = 0.0016340 k( 587) = ( -0.3046875 0.3046875 0.5000000), wk = 0.0016340 k( 588) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0016340 k( 589) = ( -0.3203125 0.3203125 0.5000000), wk = 0.0016340 k( 590) = ( -0.3281250 0.3281250 0.5000000), wk = 0.0016340 k( 591) = ( -0.3359375 0.3359375 0.5000000), wk = 0.0016340 k( 592) = ( -0.3437500 0.3437500 0.5000000), wk = 0.0016340 k( 593) = ( -0.3515625 0.3515625 0.5000000), wk = 0.0016340 k( 594) = ( -0.3593750 0.3593750 0.5000000), wk = 0.0016340 k( 595) = ( -0.3671875 0.3671875 0.5000000), wk = 0.0016340 k( 596) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0016340 k( 597) = ( -0.3828125 0.3828125 0.5000000), wk = 0.0016340 k( 598) = ( -0.3906250 0.3906250 0.5000000), wk = 0.0016340 k( 599) = ( -0.3984375 0.3984375 0.5000000), wk = 0.0016340 k( 600) = ( -0.4062500 0.4062500 0.5000000), wk = 0.0016340 k( 601) = ( -0.4140625 0.4140625 0.5000000), wk = 0.0016340 k( 602) = ( -0.4218750 0.4218750 0.5000000), wk = 0.0016340 k( 603) = ( -0.4296875 0.4296875 0.5000000), wk = 0.0016340 k( 604) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0016340 k( 605) = ( -0.4453125 0.4453125 0.5000000), wk = 0.0016340 k( 606) = ( -0.4531250 0.4531250 0.5000000), wk = 0.0016340 k( 607) = ( -0.4609375 0.4609375 0.5000000), wk = 0.0016340 k( 608) = ( -0.4687500 0.4687500 0.5000000), wk = 0.0016340 k( 609) = ( -0.4765625 0.4765625 0.5000000), wk = 0.0016340 k( 610) = ( -0.4843750 0.4843750 0.5000000), wk = 0.0016340 k( 611) = ( -0.4921875 0.4921875 0.5000000), wk = 0.0016340 k( 612) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0016340 Dense grid: 11501 G-vectors FFT dimensions: ( 32, 32, 24) Smooth grid: 8663 G-vectors FFT dimensions: ( 30, 30, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 64, 16) NL pseudopotentials 0.01 Mb ( 32, 22) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 240) G-vector shells 0.00 Mb ( 128) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 64, 64) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.01 Mb ( 22, 2, 16) The potential is recalculated from file : ./GeH4.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 37.4 secs Computing kpt #: 2 total cpu time spent up to now is 37.5 secs Computing kpt #: 3 total cpu time spent up to now is 37.7 secs Computing kpt #: 4 total cpu time spent up to now is 37.8 secs Computing kpt #: 5 total cpu time spent up to now is 38.0 secs Computing kpt #: 6 total cpu time spent up to now is 38.1 secs Computing kpt #: 7 total cpu time spent up to now is 38.3 secs Computing kpt #: 8 total cpu time spent up to now is 38.4 secs Computing kpt #: 9 total cpu time spent up to now is 38.6 secs Computing kpt #: 10 total cpu time spent up to now is 38.7 secs Computing kpt #: 11 total cpu time spent up to now is 38.9 secs Computing kpt #: 12 total cpu time spent up to now is 39.0 secs Computing kpt #: 13 total cpu time spent up to now is 39.2 secs Computing kpt #: 14 total cpu time spent up to now is 39.3 secs Computing kpt #: 15 total cpu time spent up to now is 39.4 secs Computing kpt #: 16 total cpu time spent up to now is 39.5 secs Computing kpt #: 17 total cpu time spent up to now is 39.7 secs Computing kpt #: 18 total cpu time spent up to now is 39.8 secs Computing kpt #: 19 total cpu time spent up to now is 39.9 secs Computing kpt #: 20 total cpu time spent up to now is 40.0 secs Computing kpt #: 21 total cpu time spent up to now is 40.2 secs Computing kpt #: 22 total cpu time spent up to now is 40.3 secs Computing kpt #: 23 total cpu time spent up to now is 40.4 secs Computing kpt #: 24 total cpu time spent up to now is 40.5 secs Computing kpt #: 25 total cpu time spent up to now is 40.6 secs Computing kpt #: 26 total cpu time spent up to now is 40.8 secs Computing kpt #: 27 total cpu time spent up to now is 40.9 secs Computing kpt #: 28 total cpu time spent up to now is 41.0 secs Computing kpt #: 29 total cpu time spent up to now is 41.1 secs Computing kpt #: 30 total cpu time spent up to now is 41.2 secs Computing kpt #: 31 total cpu time spent up to now is 41.3 secs Computing kpt #: 32 total cpu time spent up to now is 41.5 secs Computing kpt #: 33 total cpu time spent up to now is 41.6 secs Computing kpt #: 34 total cpu time spent up to now is 41.7 secs Computing kpt #: 35 total cpu time spent up to now is 41.8 secs Computing kpt #: 36 total cpu time spent up to now is 41.9 secs Computing kpt #: 37 total cpu time spent up to now is 42.1 secs Computing kpt #: 38 total cpu time spent up to now is 42.2 secs Computing kpt #: 39 total cpu time spent up to now is 42.3 secs Computing kpt #: 40 total cpu time spent up to now is 42.4 secs Computing kpt #: 41 total cpu time spent up to now is 42.5 secs Computing kpt #: 42 total cpu time spent up to now is 42.6 secs Computing kpt #: 43 total cpu time spent up to now is 42.7 secs Computing kpt #: 44 total cpu time spent up to now is 42.8 secs Computing kpt #: 45 total cpu time spent up to now is 42.9 secs Computing kpt #: 46 total cpu time spent up to now is 43.1 secs Computing kpt #: 47 total cpu time spent up to now is 43.2 secs Computing kpt #: 48 total cpu time spent up to now is 43.3 secs Computing kpt #: 49 total cpu time spent up to now is 43.9 secs Computing kpt #: 50 total cpu time spent up to now is 44.0 secs Computing kpt #: 51 total cpu time spent up to now is 44.1 secs Computing kpt #: 52 total cpu time spent up to now is 44.3 secs Computing kpt #: 53 total cpu time spent up to now is 44.5 secs Computing kpt #: 54 total cpu time spent up to now is 44.6 secs Computing kpt #: 55 total cpu time spent up to now is 44.8 secs Computing kpt #: 56 total cpu time spent up to now is 44.9 secs Computing kpt #: 57 total cpu time spent up to now is 45.0 secs Computing kpt #: 58 total cpu time spent up to now is 45.3 secs Computing kpt #: 59 total cpu time spent up to now is 45.5 secs Computing kpt #: 60 total cpu time spent up to now is 45.7 secs Computing kpt #: 61 total cpu time spent up to now is 45.8 secs Computing kpt #: 62 total cpu time spent up to now is 46.0 secs Computing kpt #: 63 total cpu time spent up to now is 46.1 secs Computing kpt #: 64 total cpu time spent up to now is 46.2 secs Computing kpt #: 65 total cpu time spent up to now is 46.3 secs Computing kpt #: 66 total cpu time spent up to now is 46.5 secs Computing kpt #: 67 total cpu time spent up to now is 46.6 secs Computing kpt #: 68 total cpu time spent up to now is 46.7 secs Computing kpt #: 69 total cpu time spent up to now is 46.8 secs Computing kpt #: 70 total cpu time spent up to now is 47.0 secs Computing kpt #: 71 total cpu time spent up to now is 47.1 secs Computing kpt #: 72 total cpu time spent up to now is 47.2 secs Computing kpt #: 73 total cpu time spent up to now is 47.4 secs Computing kpt #: 74 total cpu time spent up to now is 47.5 secs Computing kpt #: 75 total cpu time spent up to now is 47.6 secs Computing kpt #: 76 total cpu time spent up to now is 47.7 secs Computing kpt #: 77 total cpu time spent up to now is 47.9 secs Computing kpt #: 78 total cpu time spent up to now is 48.0 secs Computing kpt #: 79 total cpu time spent up to now is 48.1 secs Computing kpt #: 80 total cpu time spent up to now is 48.3 secs Computing kpt #: 81 total cpu time spent up to now is 48.4 secs Computing kpt #: 82 total cpu time spent up to now is 48.5 secs Computing kpt #: 83 total cpu time spent up to now is 48.7 secs Computing kpt #: 84 total cpu time spent up to now is 49.4 secs Computing kpt #: 85 total cpu time spent up to now is 49.5 secs Computing kpt #: 86 total cpu time spent up to now is 49.7 secs Computing kpt #: 87 total cpu time spent up to now is 49.9 secs Computing kpt #: 88 total cpu time spent up to now is 50.1 secs Computing kpt #: 89 total cpu time spent up to now is 50.3 secs Computing kpt #: 90 total cpu time spent up to now is 50.4 secs Computing kpt #: 91 total cpu time spent up to now is 50.6 secs Computing kpt #: 92 total cpu time spent up to now is 50.9 secs Computing kpt #: 93 total cpu time spent up to now is 51.0 secs Computing kpt #: 94 total cpu time spent up to now is 51.1 secs Computing kpt #: 95 total cpu time spent up to now is 51.2 secs Computing kpt #: 96 total cpu time spent up to now is 51.4 secs Computing kpt #: 97 total cpu time spent up to now is 51.5 secs Computing kpt #: 98 total cpu time spent up to now is 51.6 secs Computing kpt #: 99 total cpu time spent up to now is 51.7 secs Computing kpt #: 100 total cpu time spent up to now is 51.8 secs Computing kpt #: 101 total cpu time spent up to now is 51.9 secs Computing kpt #: 102 total cpu time spent up to now is 52.0 secs Computing kpt #: 103 total cpu time spent up to now is 52.2 secs Computing kpt #: 104 total cpu time spent up to now is 52.3 secs Computing kpt #: 105 total cpu time spent up to now is 52.4 secs Computing kpt #: 106 total cpu time spent up to now is 52.5 secs Computing kpt #: 107 total cpu time spent up to now is 52.7 secs Computing kpt #: 108 total cpu time spent up to now is 52.8 secs Computing kpt #: 109 total cpu time spent up to now is 53.0 secs Computing kpt #: 110 total cpu time spent up to now is 53.1 secs Computing kpt #: 111 total cpu time spent up to now is 53.3 secs Computing kpt #: 112 total cpu time spent up to now is 53.4 secs Computing kpt #: 113 total cpu time spent up to now is 53.6 secs Computing kpt #: 114 total cpu time spent up to now is 53.8 secs Computing kpt #: 115 total cpu time spent up to now is 53.9 secs Computing kpt #: 116 total cpu time spent up to now is 54.1 secs Computing kpt #: 117 total cpu time spent up to now is 54.2 secs Computing kpt #: 118 total cpu time spent up to now is 54.4 secs Computing kpt #: 119 total cpu time spent up to now is 54.5 secs Computing kpt #: 120 total cpu time spent up to now is 54.6 secs Computing kpt #: 121 total cpu time spent up to now is 54.7 secs Computing kpt #: 122 total cpu time spent up to now is 54.9 secs Computing kpt #: 123 total cpu time spent up to now is 55.0 secs Computing kpt #: 124 total cpu time spent up to now is 55.1 secs Computing kpt #: 125 total cpu time spent up to now is 55.2 secs Computing kpt #: 126 total cpu time spent up to now is 55.3 secs Computing kpt #: 127 total cpu time spent up to now is 55.5 secs Computing kpt #: 128 total cpu time spent up to now is 55.6 secs Computing kpt #: 129 total cpu time spent up to now is 55.7 secs Computing kpt #: 130 total cpu time spent up to now is 55.8 secs Computing kpt #: 131 total cpu time spent up to now is 55.9 secs Computing kpt #: 132 total cpu time spent up to now is 56.1 secs Computing kpt #: 133 total cpu time spent up to now is 56.3 secs Computing kpt #: 134 total cpu time spent up to now is 56.5 secs Computing kpt #: 135 total cpu time spent up to now is 56.6 secs Computing kpt #: 136 total cpu time spent up to now is 56.9 secs Computing kpt #: 137 total cpu time spent up to now is 57.0 secs Computing kpt #: 138 total cpu time spent up to now is 57.2 secs Computing kpt #: 139 total cpu time spent up to now is 57.3 secs Computing kpt #: 140 total cpu time spent up to now is 57.5 secs Computing kpt #: 141 total cpu time spent up to now is 57.7 secs Computing kpt #: 142 total cpu time spent up to now is 57.9 secs Computing kpt #: 143 total cpu time spent up to now is 58.1 secs Computing kpt #: 144 total cpu time spent up to now is 58.2 secs Computing kpt #: 145 total cpu time spent up to now is 58.5 secs Computing kpt #: 146 total cpu time spent up to now is 58.6 secs Computing kpt #: 147 total cpu time spent up to now is 58.9 secs Computing kpt #: 148 total cpu time spent up to now is 59.1 secs Computing kpt #: 149 total cpu time spent up to now is 59.3 secs Computing kpt #: 150 total cpu time spent up to now is 60.1 secs Computing kpt #: 151 total cpu time spent up to now is 60.3 secs Computing kpt #: 152 total cpu time spent up to now is 60.6 secs Computing kpt #: 153 total cpu time spent up to now is 60.8 secs Computing kpt #: 154 total cpu time spent up to now is 61.0 secs Computing kpt #: 155 total cpu time spent up to now is 61.1 secs Computing kpt #: 156 total cpu time spent up to now is 61.2 secs Computing kpt #: 157 total cpu time spent up to now is 61.3 secs Computing kpt #: 158 total cpu time spent up to now is 61.5 secs Computing kpt #: 159 total cpu time spent up to now is 61.6 secs Computing kpt #: 160 total cpu time spent up to now is 61.7 secs Computing kpt #: 161 total cpu time spent up to now is 61.8 secs Computing kpt #: 162 total cpu time spent up to now is 61.9 secs Computing kpt #: 163 total cpu time spent up to now is 62.0 secs Computing kpt #: 164 total cpu time spent up to now is 62.2 secs Computing kpt #: 165 total cpu time spent up to now is 62.3 secs Computing kpt #: 166 total cpu time spent up to now is 62.4 secs Computing kpt #: 167 total cpu time spent up to now is 62.5 secs Computing kpt #: 168 total cpu time spent up to now is 62.6 secs Computing kpt #: 169 total cpu time spent up to now is 62.7 secs Computing kpt #: 170 total cpu time spent up to now is 62.8 secs Computing kpt #: 171 total cpu time spent up to now is 62.9 secs Computing kpt #: 172 total cpu time spent up to now is 63.0 secs Computing kpt #: 173 total cpu time spent up to now is 63.1 secs Computing kpt #: 174 total cpu time spent up to now is 63.3 secs Computing kpt #: 175 total cpu time spent up to now is 63.4 secs Computing kpt #: 176 total cpu time spent up to now is 63.5 secs Computing kpt #: 177 total cpu time spent up to now is 63.6 secs Computing kpt #: 178 total cpu time spent up to now is 63.7 secs Computing kpt #: 179 total cpu time spent up to now is 63.8 secs Computing kpt #: 180 total cpu time spent up to now is 63.9 secs Computing kpt #: 181 total cpu time spent up to now is 64.0 secs Computing kpt #: 182 total cpu time spent up to now is 64.1 secs Computing kpt #: 183 total cpu time spent up to now is 64.2 secs Computing kpt #: 184 total cpu time spent up to now is 64.4 secs Computing kpt #: 185 total cpu time spent up to now is 64.5 secs Computing kpt #: 186 total cpu time spent up to now is 64.6 secs Computing kpt #: 187 total cpu time spent up to now is 64.8 secs Computing kpt #: 188 total cpu time spent up to now is 65.0 secs Computing kpt #: 189 total cpu time spent up to now is 65.1 secs Computing kpt #: 190 total cpu time spent up to now is 65.3 secs Computing kpt #: 191 total cpu time spent up to now is 66.0 secs Computing kpt #: 192 total cpu time spent up to now is 66.2 secs Computing kpt #: 193 total cpu time spent up to now is 66.5 secs Computing kpt #: 194 total cpu time spent up to now is 66.6 secs Computing kpt #: 195 total cpu time spent up to now is 66.7 secs Computing kpt #: 196 total cpu time spent up to now is 66.8 secs Computing kpt #: 197 total cpu time spent up to now is 67.0 secs Computing kpt #: 198 total cpu time spent up to now is 67.2 secs Computing kpt #: 199 total cpu time spent up to now is 67.4 secs Computing kpt #: 200 total cpu time spent up to now is 67.7 secs Computing kpt #: 201 total cpu time spent up to now is 68.0 secs Computing kpt #: 202 total cpu time spent up to now is 68.3 secs Computing kpt #: 203 total cpu time spent up to now is 68.6 secs Computing kpt #: 204 total cpu time spent up to now is 68.8 secs Computing kpt #: 205 total cpu time spent up to now is 69.0 secs Computing kpt #: 206 total cpu time spent up to now is 69.3 secs Computing kpt #: 207 total cpu time spent up to now is 69.4 secs Computing kpt #: 208 total cpu time spent up to now is 69.6 secs Computing kpt #: 209 total cpu time spent up to now is 69.8 secs Computing kpt #: 210 total cpu time spent up to now is 70.0 secs Computing kpt #: 211 total cpu time spent up to now is 70.2 secs Computing kpt #: 212 total cpu time spent up to now is 70.3 secs Computing kpt #: 213 total cpu time spent up to now is 70.6 secs Computing kpt #: 214 total cpu time spent up to now is 70.9 secs Computing kpt #: 215 total cpu time spent up to now is 71.0 secs Computing kpt #: 216 total cpu time spent up to now is 71.8 secs Computing kpt #: 217 total cpu time spent up to now is 72.0 secs Computing kpt #: 218 total cpu time spent up to now is 72.2 secs Computing kpt #: 219 total cpu time spent up to now is 72.3 secs Computing kpt #: 220 total cpu time spent up to now is 72.5 secs Computing kpt #: 221 total cpu time spent up to now is 72.6 secs Computing kpt #: 222 total cpu time spent up to now is 72.7 secs Computing kpt #: 223 total cpu time spent up to now is 72.8 secs Computing kpt #: 224 total cpu time spent up to now is 72.9 secs Computing kpt #: 225 total cpu time spent up to now is 73.0 secs Computing kpt #: 226 total cpu time spent up to now is 73.1 secs Computing kpt #: 227 total cpu time spent up to now is 73.3 secs Computing kpt #: 228 total cpu time spent up to now is 73.4 secs Computing kpt #: 229 total cpu time spent up to now is 73.5 secs Computing kpt #: 230 total cpu time spent up to now is 73.6 secs Computing kpt #: 231 total cpu time spent up to now is 73.7 secs Computing kpt #: 232 total cpu time spent up to now is 73.8 secs Computing kpt #: 233 total cpu time spent up to now is 73.9 secs Computing kpt #: 234 total cpu time spent up to now is 74.0 secs Computing kpt #: 235 total cpu time spent up to now is 74.2 secs Computing kpt #: 236 total cpu time spent up to now is 74.3 secs Computing kpt #: 237 total cpu time spent up to now is 74.4 secs Computing kpt #: 238 total cpu time spent up to now is 74.5 secs Computing kpt #: 239 total cpu time spent up to now is 74.7 secs Computing kpt #: 240 total cpu time spent up to now is 74.8 secs Computing kpt #: 241 total cpu time spent up to now is 75.0 secs Computing kpt #: 242 total cpu time spent up to now is 75.1 secs Computing kpt #: 243 total cpu time spent up to now is 75.3 secs Computing kpt #: 244 total cpu time spent up to now is 75.4 secs Computing kpt #: 245 total cpu time spent up to now is 75.6 secs Computing kpt #: 246 total cpu time spent up to now is 75.7 secs Computing kpt #: 247 total cpu time spent up to now is 75.8 secs Computing kpt #: 248 total cpu time spent up to now is 75.9 secs Computing kpt #: 249 total cpu time spent up to now is 76.0 secs Computing kpt #: 250 total cpu time spent up to now is 76.1 secs Computing kpt #: 251 total cpu time spent up to now is 76.2 secs Computing kpt #: 252 total cpu time spent up to now is 76.4 secs Computing kpt #: 253 total cpu time spent up to now is 76.8 secs Computing kpt #: 254 total cpu time spent up to now is 77.1 secs Computing kpt #: 255 total cpu time spent up to now is 77.6 secs Computing kpt #: 256 total cpu time spent up to now is 77.7 secs Computing kpt #: 257 total cpu time spent up to now is 78.1 secs Computing kpt #: 258 total cpu time spent up to now is 78.3 secs Computing kpt #: 259 total cpu time spent up to now is 78.7 secs Computing kpt #: 260 total cpu time spent up to now is 78.9 secs Computing kpt #: 261 total cpu time spent up to now is 79.1 secs Computing kpt #: 262 total cpu time spent up to now is 79.2 secs Computing kpt #: 263 total cpu time spent up to now is 79.4 secs Computing kpt #: 264 total cpu time spent up to now is 79.7 secs Computing kpt #: 265 total cpu time spent up to now is 80.0 secs Computing kpt #: 266 total cpu time spent up to now is 80.2 secs Computing kpt #: 267 total cpu time spent up to now is 80.4 secs Computing kpt #: 268 total cpu time spent up to now is 80.6 secs Computing kpt #: 269 total cpu time spent up to now is 80.8 secs Computing kpt #: 270 total cpu time spent up to now is 81.0 secs Computing kpt #: 271 total cpu time spent up to now is 81.2 secs Computing kpt #: 272 total cpu time spent up to now is 81.5 secs Computing kpt #: 273 total cpu time spent up to now is 81.8 secs Computing kpt #: 274 total cpu time spent up to now is 82.6 secs Computing kpt #: 275 total cpu time spent up to now is 82.9 secs Computing kpt #: 276 total cpu time spent up to now is 83.1 secs Computing kpt #: 277 total cpu time spent up to now is 83.2 secs Computing kpt #: 278 total cpu time spent up to now is 83.4 secs Computing kpt #: 279 total cpu time spent up to now is 83.5 secs Computing kpt #: 280 total cpu time spent up to now is 83.6 secs Computing kpt #: 281 total cpu time spent up to now is 83.7 secs Computing kpt #: 282 total cpu time spent up to now is 83.9 secs Computing kpt #: 283 total cpu time spent up to now is 84.0 secs Computing kpt #: 284 total cpu time spent up to now is 84.1 secs Computing kpt #: 285 total cpu time spent up to now is 84.2 secs Computing kpt #: 286 total cpu time spent up to now is 84.4 secs Computing kpt #: 287 total cpu time spent up to now is 84.5 secs Computing kpt #: 288 total cpu time spent up to now is 84.6 secs Computing kpt #: 289 total cpu time spent up to now is 84.7 secs Computing kpt #: 290 total cpu time spent up to now is 84.8 secs Computing kpt #: 291 total cpu time spent up to now is 84.9 secs Computing kpt #: 292 total cpu time spent up to now is 85.0 secs Computing kpt #: 293 total cpu time spent up to now is 85.3 secs Computing kpt #: 294 total cpu time spent up to now is 85.4 secs Computing kpt #: 295 total cpu time spent up to now is 85.5 secs Computing kpt #: 296 total cpu time spent up to now is 85.6 secs Computing kpt #: 297 total cpu time spent up to now is 85.7 secs Computing kpt #: 298 total cpu time spent up to now is 85.9 secs Computing kpt #: 299 total cpu time spent up to now is 86.0 secs Computing kpt #: 300 total cpu time spent up to now is 86.1 secs Computing kpt #: 301 total cpu time spent up to now is 86.2 secs Computing kpt #: 302 total cpu time spent up to now is 86.3 secs Computing kpt #: 303 total cpu time spent up to now is 86.4 secs Computing kpt #: 304 total cpu time spent up to now is 86.9 secs Computing kpt #: 305 total cpu time spent up to now is 87.0 secs Computing kpt #: 306 total cpu time spent up to now is 87.1 secs Computing kpt #: 307 total cpu time spent up to now is 87.4 secs Computing kpt #: 308 total cpu time spent up to now is 87.5 secs Computing kpt #: 309 total cpu time spent up to now is 88.0 secs Computing kpt #: 310 total cpu time spent up to now is 88.1 secs Computing kpt #: 311 total cpu time spent up to now is 88.4 secs Computing kpt #: 312 total cpu time spent up to now is 88.5 secs Computing kpt #: 313 total cpu time spent up to now is 88.9 secs Computing kpt #: 314 total cpu time spent up to now is 89.0 secs Computing kpt #: 315 total cpu time spent up to now is 89.2 secs Computing kpt #: 316 total cpu time spent up to now is 89.8 secs Computing kpt #: 317 total cpu time spent up to now is 90.1 secs Computing kpt #: 318 total cpu time spent up to now is 90.3 secs Computing kpt #: 319 total cpu time spent up to now is 90.4 secs Computing kpt #: 320 total cpu time spent up to now is 90.7 secs Computing kpt #: 321 total cpu time spent up to now is 90.8 secs Computing kpt #: 322 total cpu time spent up to now is 90.9 secs Computing kpt #: 323 total cpu time spent up to now is 91.0 secs Computing kpt #: 324 total cpu time spent up to now is 91.1 secs Computing kpt #: 325 total cpu time spent up to now is 91.3 secs Computing kpt #: 326 total cpu time spent up to now is 91.4 secs Computing kpt #: 327 total cpu time spent up to now is 91.5 secs Computing kpt #: 328 total cpu time spent up to now is 91.7 secs Computing kpt #: 329 total cpu time spent up to now is 91.9 secs Computing kpt #: 330 total cpu time spent up to now is 92.0 secs Computing kpt #: 331 total cpu time spent up to now is 92.1 secs Computing kpt #: 332 total cpu time spent up to now is 92.2 secs Computing kpt #: 333 total cpu time spent up to now is 92.4 secs Computing kpt #: 334 total cpu time spent up to now is 92.5 secs Computing kpt #: 335 total cpu time spent up to now is 92.7 secs Computing kpt #: 336 total cpu time spent up to now is 92.8 secs Computing kpt #: 337 total cpu time spent up to now is 93.0 secs Computing kpt #: 338 total cpu time spent up to now is 93.2 secs Computing kpt #: 339 total cpu time spent up to now is 93.3 secs Computing kpt #: 340 total cpu time spent up to now is 93.5 secs Computing kpt #: 341 total cpu time spent up to now is 93.7 secs Computing kpt #: 342 total cpu time spent up to now is 93.9 secs Computing kpt #: 343 total cpu time spent up to now is 94.0 secs Computing kpt #: 344 total cpu time spent up to now is 94.2 secs Computing kpt #: 345 total cpu time spent up to now is 94.4 secs Computing kpt #: 346 total cpu time spent up to now is 94.6 secs Computing kpt #: 347 total cpu time spent up to now is 94.8 secs Computing kpt #: 348 total cpu time spent up to now is 94.9 secs Computing kpt #: 349 total cpu time spent up to now is 95.1 secs Computing kpt #: 350 total cpu time spent up to now is 95.3 secs Computing kpt #: 351 total cpu time spent up to now is 95.5 secs Computing kpt #: 352 total cpu time spent up to now is 95.8 secs Computing kpt #: 353 total cpu time spent up to now is 95.9 secs Computing kpt #: 354 total cpu time spent up to now is 96.1 secs Computing kpt #: 355 total cpu time spent up to now is 96.3 secs Computing kpt #: 356 total cpu time spent up to now is 96.5 secs Computing kpt #: 357 total cpu time spent up to now is 96.7 secs Computing kpt #: 358 total cpu time spent up to now is 96.9 secs Computing kpt #: 359 total cpu time spent up to now is 97.4 secs Computing kpt #: 360 total cpu time spent up to now is 97.5 secs Computing kpt #: 361 total cpu time spent up to now is 98.3 secs Computing kpt #: 362 total cpu time spent up to now is 99.3 secs Computing kpt #: 363 total cpu time spent up to now is 99.4 secs Computing kpt #: 364 total cpu time spent up to now is 99.8 secs Computing kpt #: 365 total cpu time spent up to now is 99.9 secs Computing kpt #: 366 total cpu time spent up to now is 100.5 secs Computing kpt #: 367 total cpu time spent up to now is 100.8 secs Computing kpt #: 368 total cpu time spent up to now is 101.0 secs Computing kpt #: 369 total cpu time spent up to now is 101.1 secs Computing kpt #: 370 total cpu time spent up to now is 101.5 secs Computing kpt #: 371 total cpu time spent up to now is 101.7 secs Computing kpt #: 372 total cpu time spent up to now is 102.0 secs Computing kpt #: 373 total cpu time spent up to now is 103.1 secs Computing kpt #: 374 total cpu time spent up to now is 103.6 secs Computing kpt #: 375 total cpu time spent up to now is 103.9 secs Computing kpt #: 376 total cpu time spent up to now is 104.5 secs Computing kpt #: 377 total cpu time spent up to now is 105.4 secs Computing kpt #: 378 total cpu time spent up to now is 106.7 secs Computing kpt #: 379 total cpu time spent up to now is 107.0 secs Computing kpt #: 380 total cpu time spent up to now is 107.6 secs Computing kpt #: 381 total cpu time spent up to now is 108.3 secs Computing kpt #: 382 total cpu time spent up to now is 108.7 secs Computing kpt #: 383 total cpu time spent up to now is 109.2 secs Computing kpt #: 384 total cpu time spent up to now is 109.7 secs Computing kpt #: 385 total cpu time spent up to now is 109.9 secs Computing kpt #: 386 total cpu time spent up to now is 110.1 secs Computing kpt #: 387 total cpu time spent up to now is 110.4 secs Computing kpt #: 388 total cpu time spent up to now is 111.4 secs Computing kpt #: 389 total cpu time spent up to now is 111.6 secs Computing kpt #: 390 total cpu time spent up to now is 112.3 secs Computing kpt #: 391 total cpu time spent up to now is 113.1 secs Computing kpt #: 392 total cpu time spent up to now is 113.2 secs Computing kpt #: 393 total cpu time spent up to now is 113.3 secs Computing kpt #: 394 total cpu time spent up to now is 113.4 secs Computing kpt #: 395 total cpu time spent up to now is 113.5 secs Computing kpt #: 396 total cpu time spent up to now is 113.6 secs Computing kpt #: 397 total cpu time spent up to now is 113.7 secs Computing kpt #: 398 total cpu time spent up to now is 113.8 secs Computing kpt #: 399 total cpu time spent up to now is 113.9 secs Computing kpt #: 400 total cpu time spent up to now is 114.0 secs Computing kpt #: 401 total cpu time spent up to now is 114.1 secs Computing kpt #: 402 total cpu time spent up to now is 114.2 secs Computing kpt #: 403 total cpu time spent up to now is 114.4 secs Computing kpt #: 404 total cpu time spent up to now is 114.5 secs Computing kpt #: 405 total cpu time spent up to now is 114.6 secs Computing kpt #: 406 total cpu time spent up to now is 114.7 secs Computing kpt #: 407 total cpu time spent up to now is 114.8 secs Computing kpt #: 408 total cpu time spent up to now is 114.9 secs Computing kpt #: 409 total cpu time spent up to now is 115.0 secs Computing kpt #: 410 total cpu time spent up to now is 115.7 secs Computing kpt #: 411 total cpu time spent up to now is 115.8 secs Computing kpt #: 412 total cpu time spent up to now is 116.0 secs Computing kpt #: 413 total cpu time spent up to now is 116.1 secs Computing kpt #: 414 total cpu time spent up to now is 116.2 secs Computing kpt #: 415 total cpu time spent up to now is 116.3 secs Computing kpt #: 416 total cpu time spent up to now is 116.4 secs Computing kpt #: 417 total cpu time spent up to now is 116.5 secs Computing kpt #: 418 total cpu time spent up to now is 116.6 secs Computing kpt #: 419 total cpu time spent up to now is 116.7 secs Computing kpt #: 420 total cpu time spent up to now is 116.8 secs Computing kpt #: 421 total cpu time spent up to now is 116.9 secs Computing kpt #: 422 total cpu time spent up to now is 117.0 secs Computing kpt #: 423 total cpu time spent up to now is 117.1 secs Computing kpt #: 424 total cpu time spent up to now is 117.2 secs Computing kpt #: 425 total cpu time spent up to now is 117.3 secs Computing kpt #: 426 total cpu time spent up to now is 117.4 secs Computing kpt #: 427 total cpu time spent up to now is 117.5 secs Computing kpt #: 428 total cpu time spent up to now is 117.6 secs Computing kpt #: 429 total cpu time spent up to now is 117.7 secs Computing kpt #: 430 total cpu time spent up to now is 117.8 secs Computing kpt #: 431 total cpu time spent up to now is 117.9 secs Computing kpt #: 432 total cpu time spent up to now is 118.0 secs Computing kpt #: 433 total cpu time spent up to now is 118.1 secs Computing kpt #: 434 total cpu time spent up to now is 118.2 secs Computing kpt #: 435 total cpu time spent up to now is 118.4 secs Computing kpt #: 436 total cpu time spent up to now is 118.5 secs Computing kpt #: 437 total cpu time spent up to now is 118.6 secs Computing kpt #: 438 total cpu time spent up to now is 118.7 secs Computing kpt #: 439 total cpu time spent up to now is 118.8 secs Computing kpt #: 440 total cpu time spent up to now is 118.9 secs Computing kpt #: 441 total cpu time spent up to now is 119.2 secs Computing kpt #: 442 total cpu time spent up to now is 119.5 secs Computing kpt #: 443 total cpu time spent up to now is 120.1 secs Computing kpt #: 444 total cpu time spent up to now is 120.3 secs Computing kpt #: 445 total cpu time spent up to now is 120.4 secs Computing kpt #: 446 total cpu time spent up to now is 120.5 secs Computing kpt #: 447 total cpu time spent up to now is 120.7 secs Computing kpt #: 448 total cpu time spent up to now is 120.8 secs Computing kpt #: 449 total cpu time spent up to now is 121.0 secs Computing kpt #: 450 total cpu time spent up to now is 121.3 secs Computing kpt #: 451 total cpu time spent up to now is 121.5 secs Computing kpt #: 452 total cpu time spent up to now is 121.7 secs Computing kpt #: 453 total cpu time spent up to now is 121.8 secs Computing kpt #: 454 total cpu time spent up to now is 122.0 secs Computing kpt #: 455 total cpu time spent up to now is 122.6 secs Computing kpt #: 456 total cpu time spent up to now is 123.8 secs Computing kpt #: 457 total cpu time spent up to now is 124.2 secs Computing kpt #: 458 total cpu time spent up to now is 124.7 secs Computing kpt #: 459 total cpu time spent up to now is 124.9 secs Computing kpt #: 460 total cpu time spent up to now is 125.1 secs Computing kpt #: 461 total cpu time spent up to now is 125.3 secs Computing kpt #: 462 total cpu time spent up to now is 125.6 secs Computing kpt #: 463 total cpu time spent up to now is 125.8 secs Computing kpt #: 464 total cpu time spent up to now is 125.9 secs Computing kpt #: 465 total cpu time spent up to now is 126.1 secs Computing kpt #: 466 total cpu time spent up to now is 126.3 secs Computing kpt #: 467 total cpu time spent up to now is 126.4 secs Computing kpt #: 468 total cpu time spent up to now is 126.6 secs Computing kpt #: 469 total cpu time spent up to now is 126.8 secs Computing kpt #: 470 total cpu time spent up to now is 127.0 secs Computing kpt #: 471 total cpu time spent up to now is 127.2 secs Computing kpt #: 472 total cpu time spent up to now is 127.3 secs Computing kpt #: 473 total cpu time spent up to now is 127.4 secs Computing kpt #: 474 total cpu time spent up to now is 127.5 secs Computing kpt #: 475 total cpu time spent up to now is 127.6 secs Computing kpt #: 476 total cpu time spent up to now is 127.8 secs Computing kpt #: 477 total cpu time spent up to now is 127.9 secs Computing kpt #: 478 total cpu time spent up to now is 128.0 secs Computing kpt #: 479 total cpu time spent up to now is 128.1 secs Computing kpt #: 480 total cpu time spent up to now is 128.2 secs Computing kpt #: 481 total cpu time spent up to now is 128.3 secs Computing kpt #: 482 total cpu time spent up to now is 128.4 secs Computing kpt #: 483 total cpu time spent up to now is 128.5 secs Computing kpt #: 484 total cpu time spent up to now is 128.6 secs Computing kpt #: 485 total cpu time spent up to now is 128.7 secs Computing kpt #: 486 total cpu time spent up to now is 128.9 secs Computing kpt #: 487 total cpu time spent up to now is 129.0 secs Computing kpt #: 488 total cpu time spent up to now is 129.1 secs Computing kpt #: 489 total cpu time spent up to now is 129.2 secs Computing kpt #: 490 total cpu time spent up to now is 129.3 secs Computing kpt #: 491 total cpu time spent up to now is 129.4 secs Computing kpt #: 492 total cpu time spent up to now is 129.5 secs Computing kpt #: 493 total cpu time spent up to now is 129.6 secs Computing kpt #: 494 total cpu time spent up to now is 129.8 secs Computing kpt #: 495 total cpu time spent up to now is 129.9 secs Computing kpt #: 496 total cpu time spent up to now is 130.0 secs Computing kpt #: 497 total cpu time spent up to now is 130.1 secs Computing kpt #: 498 total cpu time spent up to now is 130.2 secs Computing kpt #: 499 total cpu time spent up to now is 130.4 secs Computing kpt #: 500 total cpu time spent up to now is 130.5 secs Computing kpt #: 501 total cpu time spent up to now is 130.6 secs Computing kpt #: 502 total cpu time spent up to now is 130.8 secs Computing kpt #: 503 total cpu time spent up to now is 130.9 secs Computing kpt #: 504 total cpu time spent up to now is 131.0 secs Computing kpt #: 505 total cpu time spent up to now is 131.1 secs Computing kpt #: 506 total cpu time spent up to now is 131.3 secs Computing kpt #: 507 total cpu time spent up to now is 131.6 secs Computing kpt #: 508 total cpu time spent up to now is 131.8 secs Computing kpt #: 509 total cpu time spent up to now is 132.0 secs Computing kpt #: 510 total cpu time spent up to now is 132.3 secs Computing kpt #: 511 total cpu time spent up to now is 132.5 secs Computing kpt #: 512 total cpu time spent up to now is 132.7 secs Computing kpt #: 513 total cpu time spent up to now is 132.8 secs Computing kpt #: 514 total cpu time spent up to now is 133.0 secs Computing kpt #: 515 total cpu time spent up to now is 133.1 secs Computing kpt #: 516 total cpu time spent up to now is 133.4 secs Computing kpt #: 517 total cpu time spent up to now is 133.5 secs Computing kpt #: 518 total cpu time spent up to now is 133.7 secs Computing kpt #: 519 total cpu time spent up to now is 133.9 secs Computing kpt #: 520 total cpu time spent up to now is 134.1 secs Computing kpt #: 521 total cpu time spent up to now is 134.3 secs Computing kpt #: 522 total cpu time spent up to now is 134.4 secs Computing kpt #: 523 total cpu time spent up to now is 134.6 secs Computing kpt #: 524 total cpu time spent up to now is 135.0 secs Computing kpt #: 525 total cpu time spent up to now is 135.5 secs Computing kpt #: 526 total cpu time spent up to now is 135.6 secs Computing kpt #: 527 total cpu time spent up to now is 135.8 secs Computing kpt #: 528 total cpu time spent up to now is 135.9 secs Computing kpt #: 529 total cpu time spent up to now is 136.1 secs Computing kpt #: 530 total cpu time spent up to now is 136.3 secs Computing kpt #: 531 total cpu time spent up to now is 136.5 secs Computing kpt #: 532 total cpu time spent up to now is 136.6 secs Computing kpt #: 533 total cpu time spent up to now is 136.7 secs Computing kpt #: 534 total cpu time spent up to now is 136.8 secs Computing kpt #: 535 total cpu time spent up to now is 136.9 secs Computing kpt #: 536 total cpu time spent up to now is 137.0 secs Computing kpt #: 537 total cpu time spent up to now is 137.1 secs Computing kpt #: 538 total cpu time spent up to now is 137.2 secs Computing kpt #: 539 total cpu time spent up to now is 137.3 secs Computing kpt #: 540 total cpu time spent up to now is 137.4 secs Computing kpt #: 541 total cpu time spent up to now is 137.5 secs Computing kpt #: 542 total cpu time spent up to now is 137.7 secs Computing kpt #: 543 total cpu time spent up to now is 137.8 secs Computing kpt #: 544 total cpu time spent up to now is 137.9 secs Computing kpt #: 545 total cpu time spent up to now is 138.0 secs Computing kpt #: 546 total cpu time spent up to now is 138.1 secs Computing kpt #: 547 total cpu time spent up to now is 138.2 secs Computing kpt #: 548 total cpu time spent up to now is 138.3 secs Computing kpt #: 549 total cpu time spent up to now is 138.4 secs Computing kpt #: 550 total cpu time spent up to now is 138.5 secs Computing kpt #: 551 total cpu time spent up to now is 138.6 secs Computing kpt #: 552 total cpu time spent up to now is 138.7 secs Computing kpt #: 553 total cpu time spent up to now is 138.8 secs Computing kpt #: 554 total cpu time spent up to now is 138.9 secs Computing kpt #: 555 total cpu time spent up to now is 139.0 secs Computing kpt #: 556 total cpu time spent up to now is 139.1 secs Computing kpt #: 557 total cpu time spent up to now is 139.3 secs Computing kpt #: 558 total cpu time spent up to now is 139.4 secs Computing kpt #: 559 total cpu time spent up to now is 139.6 secs Computing kpt #: 560 total cpu time spent up to now is 140.0 secs Computing kpt #: 561 total cpu time spent up to now is 140.3 secs Computing kpt #: 562 total cpu time spent up to now is 140.6 secs Computing kpt #: 563 total cpu time spent up to now is 140.7 secs Computing kpt #: 564 total cpu time spent up to now is 140.9 secs Computing kpt #: 565 total cpu time spent up to now is 141.1 secs Computing kpt #: 566 total cpu time spent up to now is 141.2 secs Computing kpt #: 567 total cpu time spent up to now is 141.6 secs Computing kpt #: 568 total cpu time spent up to now is 141.8 secs Computing kpt #: 569 total cpu time spent up to now is 142.0 secs Computing kpt #: 570 total cpu time spent up to now is 142.2 secs Computing kpt #: 571 total cpu time spent up to now is 142.3 secs Computing kpt #: 572 total cpu time spent up to now is 142.5 secs Computing kpt #: 573 total cpu time spent up to now is 142.7 secs Computing kpt #: 574 total cpu time spent up to now is 142.9 secs Computing kpt #: 575 total cpu time spent up to now is 143.1 secs Computing kpt #: 576 total cpu time spent up to now is 143.3 secs Computing kpt #: 577 total cpu time spent up to now is 143.5 secs Computing kpt #: 578 total cpu time spent up to now is 143.8 secs Computing kpt #: 579 total cpu time spent up to now is 144.0 secs Computing kpt #: 580 total cpu time spent up to now is 144.2 secs Computing kpt #: 581 total cpu time spent up to now is 144.6 secs Computing kpt #: 582 total cpu time spent up to now is 144.9 secs Computing kpt #: 583 total cpu time spent up to now is 145.1 secs Computing kpt #: 584 total cpu time spent up to now is 145.4 secs Computing kpt #: 585 total cpu time spent up to now is 146.1 secs Computing kpt #: 586 total cpu time spent up to now is 146.3 secs Computing kpt #: 587 total cpu time spent up to now is 146.5 secs Computing kpt #: 588 total cpu time spent up to now is 146.7 secs Computing kpt #: 589 total cpu time spent up to now is 146.9 secs Computing kpt #: 590 total cpu time spent up to now is 147.0 secs Computing kpt #: 591 total cpu time spent up to now is 147.1 secs Computing kpt #: 592 total cpu time spent up to now is 147.3 secs Computing kpt #: 593 total cpu time spent up to now is 147.4 secs Computing kpt #: 594 total cpu time spent up to now is 147.5 secs Computing kpt #: 595 total cpu time spent up to now is 147.6 secs Computing kpt #: 596 total cpu time spent up to now is 147.7 secs Computing kpt #: 597 total cpu time spent up to now is 147.9 secs Computing kpt #: 598 total cpu time spent up to now is 148.0 secs Computing kpt #: 599 total cpu time spent up to now is 148.1 secs Computing kpt #: 600 total cpu time spent up to now is 148.2 secs Computing kpt #: 601 total cpu time spent up to now is 148.3 secs Computing kpt #: 602 total cpu time spent up to now is 148.4 secs Computing kpt #: 603 total cpu time spent up to now is 148.6 secs Computing kpt #: 604 total cpu time spent up to now is 148.7 secs Computing kpt #: 605 total cpu time spent up to now is 148.8 secs Computing kpt #: 606 total cpu time spent up to now is 148.9 secs Computing kpt #: 607 total cpu time spent up to now is 149.0 secs Computing kpt #: 608 total cpu time spent up to now is 149.1 secs Computing kpt #: 609 total cpu time spent up to now is 149.2 secs Computing kpt #: 610 total cpu time spent up to now is 149.3 secs Computing kpt #: 611 total cpu time spent up to now is 149.4 secs Computing kpt #: 612 total cpu time spent up to now is 149.6 secs ethr = 1.25E-10, avg # of iterations = 16.4 total cpu time spent up to now is 149.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1057 PWs) bands (ev): -13.9585 -13.9585 0.7136 0.7136 2.1193 2.1193 2.7678 2.7678 4.4880 4.4880 12.7856 12.7856 15.1767 15.1767 19.5301 19.5301 k = 0.0077 0.0078-0.0000 ( 1058 PWs) bands (ev): -13.9580 -13.9580 0.7092 0.7092 2.0789 2.0789 2.8102 2.8102 4.4939 4.4939 12.7862 12.7862 15.1752 15.1752 19.5319 19.5319 k = 0.0154 0.0156-0.0000 ( 1062 PWs) bands (ev): -13.9565 -13.9565 0.6959 0.6959 1.9792 1.9792 2.9161 2.9161 4.5115 4.5115 12.7879 12.7879 15.1705 15.1705 19.5374 19.5374 k = 0.0231 0.0234-0.0000 ( 1062 PWs) bands (ev): -13.9540 -13.9540 0.6742 0.6742 1.8509 1.8509 3.0546 3.0546 4.5405 4.5405 12.7909 12.7909 15.1623 15.1623 19.4941 19.4941 k = 0.0308 0.0313-0.0000 ( 1062 PWs) bands (ev): -13.9505 -13.9505 0.6443 0.6443 1.7103 1.7103 3.2095 3.2095 4.5804 4.5804 12.7950 12.7950 15.1500 15.1500 19.3565 19.3565 k = 0.0385 0.0391-0.0000 ( 1062 PWs) bands (ev): -13.9459 -13.9459 0.6069 0.6069 1.5645 1.5645 3.3738 3.3738 4.6308 4.6308 12.8003 12.8003 15.1328 15.1328 19.1922 19.1922 k = 0.0462 0.0469-0.0000 ( 1060 PWs) bands (ev): -13.9404 -13.9404 0.5626 0.5626 1.4168 1.4168 3.5440 3.5440 4.6910 4.6910 12.8068 12.8068 15.1095 15.1095 19.0123 19.0123 k = 0.0538 0.0547-0.0000 ( 1060 PWs) bands (ev): -13.9339 -13.9339 0.5120 0.5120 1.2688 1.2688 3.7186 3.7186 4.7602 4.7602 12.8144 12.8144 15.0788 15.0788 18.8266 18.8266 k = 0.0615 0.0625-0.0000 ( 1060 PWs) bands (ev): -13.9264 -13.9264 0.4559 0.4559 1.1214 1.1214 3.8965 3.8965 4.8377 4.8377 12.8231 12.8231 15.0392 15.0392 18.6430 18.6430 k = 0.0692 0.0703-0.0000 ( 1064 PWs) bands (ev): -13.9181 -13.9181 0.3950 0.3950 0.9752 0.9752 4.0773 4.0773 4.9229 4.9229 12.8329 12.8329 14.9888 14.9888 18.4675 18.4675 k = 0.0769 0.0781-0.0000 ( 1064 PWs) bands (ev): -13.9087 -13.9087 0.3298 0.3298 0.8305 0.8305 4.2605 4.2605 5.0149 5.0149 12.8438 12.8438 14.9260 14.9260 18.3050 18.3050 k = 0.0846 0.0859-0.0000 ( 1070 PWs) bands (ev): -13.8985 -13.8985 0.2611 0.2611 0.6876 0.6876 4.4458 4.4458 5.1132 5.1132 12.8558 12.8558 14.8490 14.8490 18.1591 18.1591 k = 0.0923 0.0938-0.0000 ( 1074 PWs) bands (ev): -13.8873 -13.8873 0.1894 0.1894 0.5468 0.5468 4.6330 4.6330 5.2170 5.2170 12.8689 12.8689 14.7566 14.7566 18.0327 18.0327 k = 0.1000 0.1016-0.0000 ( 1080 PWs) bands (ev): -13.8753 -13.8753 0.1153 0.1153 0.4081 0.4081 4.8219 4.8219 5.3259 5.3259 12.8830 12.8830 14.6480 14.6480 17.9275 17.9275 k = 0.1077 0.1094-0.0000 ( 1080 PWs) bands (ev): -13.8624 -13.8624 0.0392 0.0392 0.2718 0.2718 5.0123 5.0123 5.4394 5.4394 12.8980 12.8980 14.5231 14.5231 17.8446 17.8446 k = 0.1154 0.1172-0.0000 ( 1080 PWs) bands (ev): -13.8487 -13.8487 -0.0388 -0.0388 0.1381 0.1381 5.2040 5.2040 5.5569 5.5569 12.9140 12.9140 14.3826 14.3826 17.7837 17.7837 k = 0.1231 0.1250-0.0000 ( 1078 PWs) bands (ev): -13.8341 -13.8341 -0.1186 -0.1186 0.0076 0.0076 5.3967 5.3967 5.6784 5.6784 12.9309 12.9309 14.2278 14.2278 17.7442 17.7442 k = 0.1308 0.1328-0.0000 ( 1078 PWs) bands (ev): -13.8187 -13.8187 -0.2013 -0.2013 -0.1183 -0.1183 5.5898 5.5898 5.8038 5.8038 12.9486 12.9486 14.0604 14.0604 17.7247 17.7247 k = 0.1385 0.1406-0.0000 ( 1080 PWs) bands (ev): -13.8027 -13.8027 -0.2919 -0.2919 -0.2344 -0.2344 5.7820 5.7820 5.9337 5.9337 12.9670 12.9670 13.8824 13.8824 17.7236 17.7236 k = 0.1462 0.1485-0.0000 ( 1084 PWs) bands (ev): -13.7859 -13.7859 -0.3983 -0.3983 -0.3322 -0.3322 5.9694 5.9694 6.0718 6.0718 12.9859 12.9859 13.6959 13.6959 17.7390 17.7390 k = 0.1539 0.1563-0.0000 ( 1086 PWs) bands (ev): -13.7684 -13.7684 -0.5147 -0.5147 -0.4174 -0.4174 6.1410 6.1410 6.2287 6.2287 13.0047 13.0047 13.5035 13.5035 17.7694 17.7694 k = 0.1615 0.1641-0.0000 ( 1082 PWs) bands (ev): -13.7502 -13.7502 -0.6325 -0.6325 -0.4982 -0.4982 6.2905 6.2905 6.4101 6.4101 13.0216 13.0216 13.3087 13.3087 17.8129 17.8129 k = 0.1692 0.1719-0.0000 ( 1082 PWs) bands (ev): -13.7315 -13.7315 -0.7492 -0.7492 -0.5770 -0.5770 6.4299 6.4299 6.6036 6.6036 13.0174 13.0174 13.1323 13.1323 17.8683 17.8683 k = 0.1769 0.1797-0.0000 ( 1078 PWs) bands (ev): -13.7121 -13.7121 -0.8639 -0.8639 -0.6545 -0.6545 6.5665 6.5665 6.8017 6.8017 12.8763 12.8763 13.0912 13.0912 17.9340 17.9340 k = 0.1846 0.1875-0.0000 ( 1078 PWs) bands (ev): -13.6922 -13.6922 -0.9764 -0.9764 -0.7306 -0.7306 6.7023 6.7023 7.0015 7.0015 12.6779 12.6779 13.1072 13.1072 18.0089 18.0089 k = 0.1923 0.1953-0.0000 ( 1080 PWs) bands (ev): -13.6718 -13.6718 -1.0866 -1.0866 -0.8055 -0.8055 6.8377 6.8377 7.2024 7.2024 12.4746 12.4746 13.1289 13.1289 18.0917 18.0917 k = 0.2000 0.2031-0.0000 ( 1084 PWs) bands (ev): -13.6510 -13.6510 -1.1943 -1.1943 -0.8792 -0.8792 6.9727 6.9727 7.4040 7.4040 12.2710 12.2710 13.1523 13.1523 18.1813 18.1813 k = 0.2077 0.2110-0.0000 ( 1084 PWs) bands (ev): -13.6298 -13.6298 -1.2995 -1.2995 -0.9512 -0.9512 7.1072 7.1072 7.6059 7.6059 12.0690 12.0690 13.1768 13.1768 18.2763 18.2763 k = 0.2154 0.2188-0.0000 ( 1084 PWs) bands (ev): -13.6081 -13.6081 -1.4021 -1.4021 -1.0218 -1.0218 7.2407 7.2407 7.8079 7.8079 11.8695 11.8695 13.2019 13.2019 18.3752 18.3752 k = 0.2231 0.2266-0.0000 ( 1080 PWs) bands (ev): -13.5862 -13.5862 -1.5021 -1.5021 -1.0907 -1.0907 7.3730 7.3730 8.0100 8.0100 11.6734 11.6734 13.2275 13.2275 18.4762 18.4762 k = 0.2308 0.2344-0.0000 ( 1080 PWs) bands (ev): -13.5640 -13.5640 -1.5996 -1.5996 -1.1580 -1.1580 7.5035 7.5035 8.2117 8.2117 11.4816 11.4816 13.2536 13.2536 18.5766 18.5766 k = 0.2385 0.2422-0.0000 ( 1080 PWs) bands (ev): -13.5415 -13.5415 -1.6944 -1.6944 -1.2236 -1.2236 7.6317 7.6317 8.4130 8.4130 11.2949 11.2949 13.2799 13.2799 18.6728 18.6728 k = 0.2462 0.2500-0.0000 ( 1084 PWs) bands (ev): -13.5189 -13.5189 -1.7867 -1.7867 -1.2874 -1.2874 7.7568 7.7568 8.6137 8.6137 11.1143 11.1143 13.3065 13.3065 18.7597 18.7597 k = 0.2539 0.2578-0.0000 ( 1084 PWs) bands (ev): -13.4962 -13.4962 -1.8763 -1.8763 -1.3494 -1.3494 7.8780 7.8780 8.8135 8.8135 10.9408 10.9408 13.3332 13.3332 18.8307 18.8307 k = 0.2615 0.2657-0.0000 ( 1084 PWs) bands (ev): -13.4734 -13.4734 -1.9631 -1.9631 -1.4095 -1.4095 7.9940 7.9940 9.0123 9.0123 10.7758 10.7758 13.3601 13.3601 18.8785 18.8785 k = 0.2692 0.2735-0.0000 ( 1084 PWs) bands (ev): -13.4505 -13.4505 -2.0474 -2.0474 -1.4677 -1.4677 8.1033 8.1033 9.2098 9.2098 10.6209 10.6209 13.3870 13.3870 18.8979 18.8979 k = 0.2769 0.2813-0.0000 ( 1086 PWs) bands (ev): -13.4278 -13.4278 -2.1291 -2.1291 -1.5240 -1.5240 8.2039 8.2039 9.4057 9.4057 10.4784 10.4784 13.4139 13.4139 18.8881 18.8881 k = 0.2846 0.2891-0.0000 ( 1086 PWs) bands (ev): -13.4051 -13.4051 -2.2080 -2.2080 -1.5783 -1.5783 8.2932 8.2932 9.5997 9.5997 10.3510 10.3510 13.4407 13.4407 18.8528 18.8528 k = 0.2923 0.2969-0.0000 ( 1086 PWs) bands (ev): -13.3826 -13.3826 -2.2842 -2.2842 -1.6306 -1.6306 8.3677 8.3677 9.7913 9.7913 10.2424 10.2424 13.4673 13.4673 18.7976 18.7976 k = 0.3000 0.3047-0.0000 ( 1090 PWs) bands (ev): -13.3602 -13.3602 -2.3578 -2.3578 -1.6808 -1.6808 8.4238 8.4238 9.9782 9.9782 10.1583 10.1583 13.4937 13.4937 18.7276 18.7276 k = 0.3077 0.3125-0.0000 ( 1090 PWs) bands (ev): -13.3381 -13.3381 -2.4286 -2.4286 -1.7291 -1.7291 8.4577 8.4577 10.0815 10.0815 10.1812 10.1812 13.5198 13.5198 18.6470 18.6470 k = 0.3154 0.3204-0.0000 ( 1090 PWs) bands (ev): -13.3163 -13.3163 -2.4966 -2.4966 -1.7753 -1.7753 8.4668 8.4668 10.0557 10.0557 10.3589 10.3589 13.5455 13.5455 18.5587 18.5587 k = 0.3231 0.3282-0.0000 ( 1090 PWs) bands (ev): -13.2949 -13.2949 -2.5620 -2.5620 -1.8196 -1.8196 8.4510 8.4510 10.0526 10.0526 10.5394 10.5394 13.5708 13.5708 18.4648 18.4648 k = 0.3308 0.3360-0.0000 ( 1086 PWs) bands (ev): -13.2739 -13.2739 -2.6246 -2.6246 -1.8617 -1.8617 8.4125 8.4125 10.0750 10.0750 10.7171 10.7171 13.5956 13.5956 18.3671 18.3671 k = 0.3385 0.3438-0.0000 ( 1086 PWs) bands (ev): -13.2534 -13.2534 -2.6844 -2.6844 -1.9019 -1.9019 8.3557 8.3557 10.1191 10.1191 10.8912 10.8912 13.6199 13.6199 18.2667 18.2667 k = 0.3462 0.3516-0.0000 ( 1086 PWs) bands (ev): -13.2334 -13.2334 -2.7415 -2.7415 -1.9400 -1.9400 8.2854 8.2854 10.1800 10.1800 11.0613 11.0613 13.6434 13.6434 18.1646 18.1646 k = 0.3539 0.3594-0.0000 ( 1086 PWs) bands (ev): -13.2140 -13.2140 -2.7959 -2.7959 -1.9761 -1.9761 8.2061 8.2061 10.2532 10.2532 11.2268 11.2268 13.6663 13.6663 18.0616 18.0616 k = 0.3616 0.3672-0.0000 ( 1086 PWs) bands (ev): -13.1953 -13.1953 -2.8475 -2.8475 -2.0102 -2.0102 8.1217 8.1217 10.3348 10.3348 11.3874 11.3874 13.6885 13.6885 17.9585 17.9585 k = 0.3692 0.3750-0.0000 ( 1086 PWs) bands (ev): -13.1772 -13.1772 -2.8963 -2.8963 -2.0422 -2.0422 8.0348 8.0348 10.4219 10.4219 11.5428 11.5428 13.7098 13.7098 17.8560 17.8560 k = 0.3769 0.3829-0.0000 ( 1078 PWs) bands (ev): -13.1596 -13.1596 -2.9423 -2.9423 -2.0723 -2.0723 7.9478 7.9478 10.5124 10.5124 11.6925 11.6925 13.7303 13.7303 17.7547 17.7547 k = 0.3846 0.3907-0.0000 ( 1070 PWs) bands (ev): -13.1430 -13.1430 -2.9856 -2.9856 -2.1005 -2.1005 7.8621 7.8621 10.6040 10.6040 11.8360 11.8360 13.7498 13.7498 17.6550 17.6550 k = 0.3923 0.3985-0.0000 ( 1070 PWs) bands (ev): -13.1274 -13.1274 -3.0261 -3.0261 -2.1267 -2.1267 7.7788 7.7788 10.6953 10.6953 11.9728 11.9728 13.7683 13.7683 17.5577 17.5577 k = 0.4000 0.4063-0.0000 ( 1070 PWs) bands (ev): -13.1125 -13.1125 -3.0638 -3.0638 -2.1509 -2.1509 7.6991 7.6991 10.7853 10.7853 12.1026 12.1026 13.7858 13.7858 17.4634 17.4634 k = 0.4077 0.4141-0.0000 ( 1078 PWs) bands (ev): -13.0986 -13.0986 -3.0989 -3.0989 -2.1734 -2.1734 7.6235 7.6235 10.8730 10.8730 12.2250 12.2250 13.8022 13.8022 17.3724 17.3724 k = 0.4154 0.4219-0.0000 ( 1078 PWs) bands (ev): -13.0857 -13.0857 -3.1310 -3.1310 -2.1938 -2.1938 7.5527 7.5527 10.9574 10.9574 12.3395 12.3395 13.8175 13.8175 17.2856 17.2856 k = 0.4231 0.4297-0.0000 ( 1078 PWs) bands (ev): -13.0737 -13.0737 -3.1604 -3.1604 -2.2125 -2.2125 7.4869 7.4869 11.0377 11.0377 12.4456 12.4456 13.8316 13.8316 17.2036 17.2036 k = 0.4308 0.4376-0.0000 ( 1078 PWs) bands (ev): -13.0628 -13.0628 -3.1870 -3.1870 -2.2293 -2.2293 7.4266 7.4266 11.1132 11.1132 12.5431 12.5431 13.8445 13.8445 17.1268 17.1268 k = 0.4385 0.4454-0.0000 ( 1078 PWs) bands (ev): -13.0529 -13.0529 -3.2108 -3.2108 -2.2442 -2.2442 7.3721 7.3721 11.1831 11.1831 12.6315 12.6315 13.8561 13.8561 17.0559 17.0559 k = 0.4462 0.4532-0.0000 ( 1082 PWs) bands (ev): -13.0442 -13.0442 -3.2318 -3.2318 -2.2574 -2.2574 7.3235 7.3235 11.2466 11.2466 12.7103 12.7103 13.8664 13.8664 16.9915 16.9915 k = 0.4539 0.4610-0.0000 ( 1082 PWs) bands (ev): -13.0366 -13.0366 -3.2500 -3.2500 -2.2687 -2.2687 7.2811 7.2811 11.3032 11.3032 12.7794 12.7794 13.8754 13.8754 16.9343 16.9343 k = 0.4616 0.4688-0.0000 ( 1086 PWs) bands (ev): -13.0302 -13.0302 -3.2655 -3.2655 -2.2783 -2.2783 7.2449 7.2449 11.3523 11.3523 12.8382 12.8382 13.8831 13.8831 16.8847 16.8847 k = 0.4692 0.4766-0.0000 ( 1086 PWs) bands (ev): -13.0248 -13.0248 -3.2781 -3.2781 -2.2861 -2.2861 7.2152 7.2152 11.3933 11.3933 12.8869 12.8869 13.8894 13.8894 16.8434 16.8434 k = 0.4769 0.4844-0.0000 ( 1092 PWs) bands (ev): -13.0207 -13.0207 -3.2879 -3.2879 -2.2922 -2.2922 7.1920 7.1920 11.4257 11.4257 12.9250 12.9250 13.8943 13.8943 16.8105 16.8105 k = 0.4846 0.4922-0.0000 ( 1092 PWs) bands (ev): -13.0177 -13.0177 -3.2949 -3.2949 -2.2965 -2.2965 7.1754 7.1754 11.4492 11.4492 12.9523 12.9523 13.8979 13.8979 16.7869 16.7869 k = 0.4923 0.5001-0.0000 ( 1088 PWs) bands (ev): -13.0160 -13.0160 -3.2991 -3.2991 -2.2991 -2.2991 7.1654 7.1654 11.4634 11.4634 12.9686 12.9686 13.9000 13.9000 16.7728 16.7728 k = 0.4923 0.5001-0.0000 ( 1088 PWs) bands (ev): -13.0160 -13.0160 -3.2991 -3.2991 -2.2991 -2.2991 7.1654 7.1654 11.4634 11.4634 12.9686 12.9686 13.9000 13.9000 16.7728 16.7728 k = 0.4814 0.5001-0.0000 ( 1090 PWs) bands (ev): -13.0174 -13.0174 -3.2959 -3.2959 -2.2967 -2.2967 7.1735 7.1735 11.4441 11.4441 12.9687 12.9687 13.8983 13.8983 16.7752 16.7752 k = 0.4704 0.5001-0.0000 ( 1090 PWs) bands (ev): -13.0200 -13.0200 -3.2904 -3.2904 -2.2919 -2.2919 7.1884 7.1884 11.4003 11.4003 12.9833 12.9833 13.8952 13.8952 16.7697 16.7697 k = 0.4595 0.5001-0.0000 ( 1088 PWs) bands (ev): -13.0238 -13.0238 -3.2827 -3.2827 -2.2844 -2.2844 7.2100 7.2100 11.3339 11.3339 13.0107 13.0107 13.8908 13.8908 16.7561 16.7561 k = 0.4486 0.5001-0.0000 ( 1088 PWs) bands (ev): -13.0288 -13.0288 -3.2733 -3.2733 -2.2740 -2.2740 7.2384 7.2384 11.2477 11.2477 13.0482 13.0482 13.8850 13.8850 16.7347 16.7347 k = 0.4376 0.5001-0.0000 ( 1088 PWs) bands (ev): -13.0350 -13.0350 -3.2623 -3.2623 -2.2603 -2.2603 7.2735 7.2735 11.1446 11.1446 13.0931 13.0931 13.8779 13.8779 16.7058 16.7058 k = 0.4267 0.5001-0.0000 ( 1086 PWs) bands (ev): -13.0422 -13.0422 -3.2502 -3.2502 -2.2428 -2.2428 7.3151 7.3151 11.0271 11.0271 13.1430 13.1430 13.8696 13.8696 16.6700 16.6700 k = 0.4157 0.5001-0.0000 ( 1086 PWs) bands (ev): -13.0505 -13.0505 -3.2377 -3.2377 -2.2211 -2.2211 7.3632 7.3632 10.8974 10.8974 13.1961 13.1961 13.8601 13.8601 16.6277 16.6277 k = 0.4048 0.5001-0.0000 ( 1084 PWs) bands (ev): -13.0598 -13.0598 -3.2251 -3.2251 -2.1947 -2.1947 7.4177 7.4177 10.7572 10.7572 13.2510 13.2510 13.8496 13.8496 16.5795 16.5795 k = 0.3939 0.5001-0.0000 ( 1081 PWs) bands (ev): -13.0701 -13.0701 -3.2129 -3.2129 -2.1629 -2.1629 7.4785 7.4785 10.6079 10.6079 13.3064 13.3064 13.8381 13.8381 16.5260 16.5260 k = 0.3829 0.5001-0.0000 ( 1085 PWs) bands (ev): -13.0812 -13.0812 -3.2018 -3.2018 -2.1255 -2.1255 7.5452 7.5452 10.4509 10.4509 13.3613 13.3613 13.8257 13.8257 16.4679 16.4679 k = 0.3720 0.5001-0.0000 ( 1084 PWs) bands (ev): -13.0931 -13.0931 -3.1921 -3.1921 -2.0817 -2.0817 7.6178 7.6178 10.2871 10.2871 13.4152 13.4152 13.8127 13.8127 16.4057 16.4057 k = 0.3610 0.5001-0.0000 ( 1081 PWs) bands (ev): -13.1058 -13.1058 -3.1842 -3.1842 -2.0314 -2.0314 7.6960 7.6960 10.1174 10.1174 13.4677 13.4677 13.7993 13.7993 16.3402 16.3402 k = 0.3501 0.5001-0.0000 ( 1083 PWs) bands (ev): -13.1192 -13.1192 -3.1784 -3.1784 -1.9744 -1.9744 7.7792 7.7792 9.9427 9.9427 13.5180 13.5180 13.7858 13.7858 16.2718 16.2718 k = 0.3392 0.5001-0.0000 ( 1081 PWs) bands (ev): -13.1331 -13.1331 -3.1746 -3.1746 -1.9104 -1.9104 7.8670 7.8670 9.7641 9.7641 13.5653 13.5653 13.7731 13.7731 16.2011 16.2011 k = 0.3282 0.5001-0.0000 ( 1079 PWs) bands (ev): -13.1476 -13.1476 -3.1730 -3.1730 -1.8395 -1.8395 7.9583 7.9583 9.5830 9.5830 13.6080 13.6080 13.7628 13.7628 16.1287 16.1287 k = 0.3173 0.5001-0.0000 ( 1075 PWs) bands (ev): -13.1625 -13.1625 -3.1736 -3.1736 -1.7617 -1.7617 8.0514 8.0514 9.4014 9.4014 13.6419 13.6419 13.7590 13.7590 16.0548 16.0548 k = 0.3063 0.5001-0.0000 ( 1071 PWs) bands (ev): -13.1777 -13.1777 -3.1762 -3.1762 -1.6771 -1.6771 8.1428 8.1428 9.2231 9.2231 13.6598 13.6598 13.7693 13.7693 15.9802 15.9802 k = 0.2954 0.5001-0.0000 ( 1071 PWs) bands (ev): -13.1933 -13.1933 -3.1806 -3.1806 -1.5861 -1.5861 8.2244 8.2244 9.0565 9.0565 13.6601 13.6601 13.7952 13.7952 15.9049 15.9049 k = 0.2845 0.5001-0.0000 ( 1072 PWs) bands (ev): -13.2090 -13.2090 -3.1867 -3.1867 -1.4887 -1.4887 8.2765 8.2765 8.9215 8.9215 13.6503 13.6503 13.8294 13.8294 15.8292 15.8292 k = 0.2735 0.5001-0.0000 ( 1074 PWs) bands (ev): -13.2250 -13.2250 -3.1943 -3.1943 -1.3853 -1.3853 8.2608 8.2608 8.8569 8.8569 13.6363 13.6363 13.8662 13.8662 15.7535 15.7535 k = 0.2626 0.5001-0.0000 ( 1074 PWs) bands (ev): -13.2409 -13.2409 -3.2031 -3.2031 -1.2761 -1.2761 8.1571 8.1571 8.8828 8.8828 13.6203 13.6203 13.9036 13.9036 15.6780 15.6780 k = 0.2516 0.5001-0.0000 ( 1073 PWs) bands (ev): -13.2568 -13.2568 -3.2129 -3.2129 -1.1613 -1.1613 7.9964 7.9964 8.9686 8.9686 13.6034 13.6034 13.9406 13.9406 15.6028 15.6028 k = 0.2407 0.5001-0.0000 ( 1071 PWs) bands (ev): -13.2726 -13.2726 -3.2235 -3.2235 -1.0413 -1.0413 7.8092 7.8092 9.0840 9.0840 13.5861 13.5861 13.9770 13.9770 15.5280 15.5280 k = 0.2298 0.5001-0.0000 ( 1071 PWs) bands (ev): -13.2882 -13.2882 -3.2348 -3.2348 -0.9162 -0.9162 7.6093 7.6093 9.2155 9.2155 13.5687 13.5687 14.0127 14.0127 15.4536 15.4536 k = 0.2188 0.5001-0.0000 ( 1075 PWs) bands (ev): -13.3037 -13.3037 -3.2466 -3.2466 -0.7863 -0.7863 7.4024 7.4024 9.3573 9.3573 13.5514 13.5514 14.0478 14.0478 15.3797 15.3797 k = 0.2079 0.5001-0.0000 ( 1075 PWs) bands (ev): -13.3187 -13.3187 -3.2586 -3.2586 -0.6520 -0.6520 7.1915 7.1915 9.5070 9.5070 13.5343 13.5343 14.0822 14.0822 15.3062 15.3062 k = 0.1969 0.5001-0.0000 ( 1073 PWs) bands (ev): -13.3334 -13.3334 -3.2708 -3.2708 -0.5133 -0.5133 6.9781 6.9781 9.6630 9.6630 13.5175 13.5175 14.1162 14.1162 15.2331 15.2331 k = 0.1860 0.5001-0.0000 ( 1070 PWs) bands (ev): -13.3476 -13.3476 -3.2830 -3.2830 -0.3707 -0.3707 6.7633 6.7633 9.8246 9.8246 13.5012 13.5012 14.1498 14.1498 15.1600 15.1600 k = 0.1750 0.5001-0.0000 ( 1070 PWs) bands (ev): -13.3613 -13.3613 -3.2951 -3.2951 -0.2244 -0.2244 6.5479 6.5479 9.9912 9.9912 13.4854 13.4854 14.1831 14.1831 15.0868 15.0868 k = 0.1641 0.5001-0.0000 ( 1070 PWs) bands (ev): -13.3745 -13.3745 -3.3070 -3.3070 -0.0748 -0.0748 6.3323 6.3323 10.1624 10.1624 13.4702 13.4702 14.2164 14.2164 15.0130 15.0130 k = 0.1532 0.5001-0.0000 ( 1068 PWs) bands (ev): -13.3871 -13.3871 -3.3185 -3.3185 0.0780 0.0780 6.1173 6.1173 10.3378 10.3378 13.4557 13.4557 14.2496 14.2496 14.9384 14.9384 k = 0.1422 0.5001-0.0000 ( 1071 PWs) bands (ev): -13.3990 -13.3990 -3.3297 -3.3297 0.2334 0.2334 5.9034 5.9034 10.5172 10.5172 13.4420 13.4420 14.2830 14.2830 14.8623 14.8623 k = 0.1313 0.5001-0.0000 ( 1071 PWs) bands (ev): -13.4102 -13.4102 -3.3403 -3.3403 0.3909 0.3909 5.6912 5.6912 10.7001 10.7001 13.4290 13.4290 14.3167 14.3167 14.7838 14.7838 k = 0.1203 0.5001-0.0000 ( 1073 PWs) bands (ev): -13.4207 -13.4207 -3.3503 -3.3503 0.5502 0.5502 5.4814 5.4814 10.8864 10.8864 13.4169 13.4169 14.3508 14.3508 14.7022 14.7022 k = 0.1094 0.5001-0.0000 ( 1074 PWs) bands (ev): -13.4304 -13.4304 -3.3597 -3.3597 0.7104 0.7104 5.2746 5.2746 11.0756 11.0756 13.4057 13.4057 14.3855 14.3855 14.6162 14.6162 k = 0.0985 0.5001-0.0000 ( 1077 PWs) bands (ev): -13.4393 -13.4393 -3.3683 -3.3683 0.8708 0.8708 5.0720 5.0720 11.2673 11.2673 13.3954 13.3954 14.4201 14.4201 14.5252 14.5252 k = 0.0875 0.5001-0.0000 ( 1079 PWs) bands (ev): -13.4474 -13.4474 -3.3762 -3.3762 1.0302 1.0302 4.8744 4.8744 11.4609 11.4609 13.3861 13.3861 14.4175 14.4175 14.4650 14.4650 k = 0.0766 0.5001-0.0000 ( 1079 PWs) bands (ev): -13.4546 -13.4546 -3.3833 -3.3833 1.1872 1.1872 4.6838 4.6838 11.6558 11.6558 13.3778 13.3778 14.3132 14.3132 14.4986 14.4986 k = 0.0656 0.5001-0.0000 ( 1079 PWs) bands (ev): -13.4608 -13.4608 -3.3895 -3.3895 1.3396 1.3396 4.5021 4.5021 11.8510 11.8510 13.3706 13.3706 14.1948 14.1948 14.5373 14.5373 k = 0.0547 0.5001-0.0000 ( 1076 PWs) bands (ev): -13.4660 -13.4660 -3.3948 -3.3948 1.4846 1.4846 4.3322 4.3322 12.0451 12.0451 13.3644 13.3644 14.0656 14.0656 14.5776 14.5776 k = 0.0438 0.5001-0.0000 ( 1076 PWs) bands (ev): -13.4704 -13.4704 -3.3992 -3.3992 1.6183 1.6183 4.1782 4.1782 12.2356 12.2356 13.3594 13.3594 13.9272 13.9272 14.6184 14.6184 k = 0.0328 0.5001-0.0000 ( 1074 PWs) bands (ev): -13.4738 -13.4738 -3.4026 -3.4026 1.7350 1.7350 4.0456 4.0456 12.4182 12.4182 13.3555 13.3555 13.7839 13.7839 14.6587 14.6587 k = 0.0219 0.5001-0.0000 ( 1072 PWs) bands (ev): -13.4763 -13.4763 -3.4051 -3.4051 1.8276 1.8276 3.9417 3.9417 12.5840 12.5840 13.3527 13.3527 13.6451 13.6451 14.6958 14.6958 k = 0.0109 0.5001-0.0000 ( 1074 PWs) bands (ev): -13.4778 -13.4778 -3.4065 -3.4065 1.8879 1.8879 3.8746 3.8746 12.7129 12.7129 13.3512 13.3512 13.5318 13.5318 14.7238 14.7238 k = 0.0000 0.5001-0.0000 ( 1072 PWs) bands (ev): -13.4782 -13.4782 -3.4070 -3.4070 1.9090 1.9090 3.8513 3.8513 12.7654 12.7654 13.3508 13.3508 13.4843 13.4843 14.7348 14.7348 k = 0.0000 0.5001-0.0000 ( 1072 PWs) bands (ev): -13.4782 -13.4782 -3.4070 -3.4070 1.9090 1.9090 3.8513 3.8513 12.7654 12.7654 13.3508 13.3508 13.4843 13.4843 14.7348 14.7348 k = 0.0000 0.5001 0.0111 ( 1072 PWs) bands (ev): -13.4773 -13.4773 -3.4056 -3.4056 1.9078 1.9078 3.8529 3.8529 12.7656 12.7656 13.2592 13.2592 13.5354 13.5354 14.7773 14.7773 k = 0.0000 0.5001 0.0222 ( 1074 PWs) bands (ev): -13.4745 -13.4745 -3.4015 -3.4015 1.9041 1.9041 3.8577 3.8577 12.7663 12.7663 13.0903 13.0903 13.5933 13.5933 14.8930 14.8930 k = 0.0000 0.5001 0.0333 ( 1076 PWs) bands (ev): -13.4697 -13.4697 -3.3945 -3.3945 1.8979 1.8979 3.8656 3.8656 12.7674 12.7674 12.8911 12.8911 13.6341 13.6341 15.0493 15.0493 k = 0.0000 0.5001 0.0444 ( 1074 PWs) bands (ev): -13.4631 -13.4631 -3.3848 -3.3848 1.8892 1.8892 3.8767 3.8767 12.6738 12.6738 12.7696 12.7696 13.6644 13.6644 15.1103 15.1103 k = 0.0000 0.5001 0.0555 ( 1072 PWs) bands (ev): -13.4545 -13.4545 -3.3722 -3.3722 1.8780 1.8780 3.8909 3.8909 12.4480 12.4480 12.7711 12.7711 13.6901 13.6901 15.1074 15.1074 k = 0.0000 0.5001 0.0666 ( 1072 PWs) bands (ev): -13.4441 -13.4441 -3.3569 -3.3569 1.8640 1.8640 3.9084 3.9084 12.2175 12.2175 12.7727 12.7727 13.7142 13.7142 15.0981 15.0981 k = 0.0000 0.5001 0.0777 ( 1074 PWs) bands (ev): -13.4318 -13.4318 -3.3389 -3.3389 1.8472 1.8472 3.9290 3.9290 11.9855 11.9855 12.7741 12.7741 13.7387 13.7387 15.0855 15.0855 k = 0.0000 0.5001 0.0888 ( 1074 PWs) bands (ev): -13.4176 -13.4176 -3.3181 -3.3181 1.8274 1.8274 3.9527 3.9527 11.7543 11.7543 12.7748 12.7748 13.7646 13.7646 15.0701 15.0701 k = 0.0000 0.5001 0.0999 ( 1078 PWs) bands (ev): -13.4016 -13.4016 -3.2945 -3.2945 1.8044 1.8044 3.9796 3.9796 11.5253 11.5253 12.7744 12.7744 13.7923 13.7923 15.0519 15.0519 k = 0.0000 0.5001 0.1110 ( 1080 PWs) bands (ev): -13.3837 -13.3837 -3.2682 -3.2682 1.7782 1.7782 4.0096 4.0096 11.2999 11.2999 12.7725 12.7725 13.8224 13.8224 15.0310 15.0310 k = 0.0000 0.5001 0.1221 ( 1076 PWs) bands (ev): -13.3639 -13.3639 -3.2392 -3.2392 1.7486 1.7486 4.0428 4.0428 11.0790 11.0790 12.7684 12.7684 13.8549 13.8549 15.0076 15.0076 k = 0.0000 0.5001 0.1332 ( 1078 PWs) bands (ev): -13.3424 -13.3424 -3.2075 -3.2075 1.7153 1.7153 4.0790 4.0790 10.8635 10.8635 12.7613 12.7613 13.8900 13.8900 14.9814 14.9814 k = 0.0000 0.5001 0.1443 ( 1078 PWs) bands (ev): -13.3191 -13.3191 -3.1730 -3.1730 1.6780 1.6780 4.1184 4.1184 10.6539 10.6539 12.7504 12.7504 13.9278 13.9278 14.9529 14.9529 k = 0.0000 0.5001 0.1554 ( 1080 PWs) bands (ev): -13.2940 -13.2940 -3.1359 -3.1359 1.6367 1.6367 4.1608 4.1608 10.4510 10.4510 12.7346 12.7346 13.9684 13.9684 14.9226 14.9226 k = 0.0000 0.5001 0.1665 ( 1080 PWs) bands (ev): -13.2670 -13.2670 -3.0961 -3.0961 1.5911 1.5911 4.2063 4.2063 10.2553 10.2553 12.7130 12.7130 14.0118 14.0118 14.8909 14.8909 k = 0.0000 0.5001 0.1776 ( 1086 PWs) bands (ev): -13.2384 -13.2384 -3.0537 -3.0537 1.5410 1.5410 4.2549 4.2549 10.0673 10.0673 12.6841 12.6841 14.0580 14.0580 14.8588 14.8588 k = 0.0000 0.5001 0.1887 ( 1086 PWs) bands (ev): -13.2080 -13.2080 -3.0086 -3.0086 1.4862 1.4862 4.3065 4.3065 9.8875 9.8875 12.6467 12.6467 14.1071 14.1071 14.8273 14.8273 k = 0.0000 0.5001 0.1998 ( 1086 PWs) bands (ev): -13.1760 -13.1760 -2.9609 -2.9609 1.4266 1.4266 4.3611 4.3611 9.7163 9.7163 12.5994 12.5994 14.1590 14.1590 14.7977 14.7977 k = 0.0000 0.5001 0.2108 ( 1084 PWs) bands (ev): -13.1423 -13.1423 -2.9106 -2.9106 1.3620 1.3620 4.4187 4.4187 9.5540 9.5540 12.5412 12.5412 14.2138 14.2138 14.7712 14.7712 k = 0.0000 0.5001 0.2219 ( 1086 PWs) bands (ev): -13.1070 -13.1070 -2.8578 -2.8578 1.2923 1.2923 4.4791 4.4791 9.4011 9.4011 12.4709 12.4709 14.2715 14.2715 14.7492 14.7492 k = 0.0000 0.5001 0.2330 ( 1088 PWs) bands (ev): -13.0701 -13.0701 -2.8024 -2.8024 1.2174 1.2174 4.5425 4.5425 9.2577 9.2577 12.3879 12.3879 14.3320 14.3320 14.7328 14.7328 k = 0.0000 0.5001 0.2441 ( 1086 PWs) bands (ev): -13.0316 -13.0316 -2.7446 -2.7446 1.1373 1.1373 4.6088 4.6088 9.1240 9.1240 12.2918 12.2918 14.3954 14.3954 14.7229 14.7229 k = 0.0000 0.5001 0.2552 ( 1086 PWs) bands (ev): -12.9916 -12.9916 -2.6843 -2.6843 1.0520 1.0520 4.6779 4.6779 9.0002 9.0002 12.1827 12.1827 14.4617 14.4617 14.7202 14.7202 k = 0.0000 0.5001 0.2663 ( 1082 PWs) bands (ev): -12.9501 -12.9501 -2.6215 -2.6215 0.9616 0.9616 4.7497 4.7497 8.8864 8.8864 12.0611 12.0611 14.5308 14.5308 14.7250 14.7250 k = 0.0000 0.5001 0.2774 ( 1080 PWs) bands (ev): -12.9073 -12.9073 -2.5564 -2.5564 0.8661 0.8661 4.8243 4.8243 8.7826 8.7826 11.9278 11.9278 14.6027 14.6027 14.7373 14.7373 k = 0.0000 0.5001 0.2885 ( 1080 PWs) bands (ev): -12.8631 -12.8631 -2.4890 -2.4890 0.7658 0.7658 4.9015 4.9015 8.6887 8.6887 11.7839 11.7839 14.6775 14.6775 14.7569 14.7569 k = 0.0000 0.5001 0.2996 ( 1080 PWs) bands (ev): -12.8176 -12.8176 -2.4193 -2.4193 0.6608 0.6608 4.9813 4.9813 8.6047 8.6047 11.6305 11.6305 14.7550 14.7550 14.7836 14.7836 k = 0.0000 0.5001 0.3107 ( 1080 PWs) bands (ev): -12.7708 -12.7708 -2.3474 -2.3474 0.5515 0.5515 5.0635 5.0635 8.5305 8.5305 11.4690 11.4690 14.8160 14.8160 14.8361 14.8361 k = 0.0000 0.5001 0.3218 ( 1086 PWs) bands (ev): -12.7229 -12.7229 -2.2733 -2.2733 0.4381 0.4381 5.1482 5.1482 8.4657 8.4657 11.3007 11.3007 14.8550 14.8550 14.9191 14.9191 k = 0.0000 0.5001 0.3329 ( 1086 PWs) bands (ev): -12.6739 -12.6739 -2.1971 -2.1971 0.3209 0.3209 5.2350 5.2350 8.4102 8.4102 11.1270 11.1270 14.8991 14.8991 15.0051 15.0051 k = 0.0000 0.5001 0.3440 ( 1084 PWs) bands (ev): -12.6238 -12.6238 -2.1189 -2.1189 0.2004 0.2004 5.3240 5.3240 8.3637 8.3637 10.9490 10.9490 14.9478 14.9478 15.0938 15.0938 k = 0.0000 0.5001 0.3551 ( 1082 PWs) bands (ev): -12.5728 -12.5728 -2.0387 -2.0387 0.0770 0.0770 5.4148 5.4148 8.3259 8.3259 10.7680 10.7680 15.0003 15.0003 15.1854 15.1854 k = 0.0000 0.5001 0.3662 ( 1082 PWs) bands (ev): -12.5209 -12.5209 -1.9567 -1.9567 -0.0488 -0.0488 5.5074 5.5074 8.2963 8.2963 10.5850 10.5850 15.0559 15.0559 15.2796 15.2796 k = 0.0000 0.5001 0.3773 ( 1084 PWs) bands (ev): -12.4683 -12.4683 -1.8729 -1.8729 -0.1767 -0.1767 5.6013 5.6013 8.2747 8.2747 10.4013 10.4013 15.1134 15.1134 15.3764 15.3764 k = 0.0000 0.5001 0.3884 ( 1080 PWs) bands (ev): -12.4150 -12.4150 -1.7874 -1.7874 -0.3062 -0.3062 5.6963 5.6963 8.2606 8.2606 10.2178 10.2178 15.1717 15.1717 15.4759 15.4759 k = 0.0000 0.5001 0.3995 ( 1082 PWs) bands (ev): -12.3612 -12.3612 -1.7005 -1.7005 -0.4368 -0.4368 5.7920 5.7920 8.2537 8.2537 10.0358 10.0358 15.2286 15.2286 15.5779 15.5779 k = 0.0000 0.5001 0.4106 ( 1084 PWs) bands (ev): -12.3070 -12.3070 -1.6121 -1.6121 -0.5679 -0.5679 5.8878 5.8878 8.2535 8.2535 9.8563 9.8563 15.2812 15.2812 15.6823 15.6823 k = 0.0000 0.5001 0.4217 ( 1086 PWs) bands (ev): -12.2525 -12.2525 -1.5226 -1.5226 -0.6991 -0.6991 5.9831 5.9831 8.2596 8.2596 9.6807 9.6807 15.3241 15.3241 15.7888 15.7888 k = 0.0000 0.5001 0.4328 ( 1086 PWs) bands (ev): -12.1978 -12.1978 -1.4320 -1.4320 -0.8298 -0.8298 6.0770 6.0770 8.2716 8.2716 9.5101 9.5101 15.3483 15.3483 15.8970 15.8970 k = 0.0000 0.5001 0.4439 ( 1086 PWs) bands (ev): -12.1431 -12.1431 -1.3409 -1.3409 -0.9592 -0.9592 6.1685 6.1685 8.2891 8.2891 9.3464 9.3464 15.3387 15.3387 16.0051 16.0051 k = 0.0000 0.5001 0.4550 ( 1088 PWs) bands (ev): -12.0886 -12.0886 -1.2512 -1.2512 -1.0853 -1.0853 6.2561 6.2561 8.3115 8.3115 9.1911 9.1911 15.2785 15.2785 16.1013 16.1013 k = 0.0000 0.5001 0.4661 ( 1090 PWs) bands (ev): -12.0344 -12.0344 -1.2285 -1.2285 -1.1421 -1.1421 6.3380 6.3380 8.3386 8.3386 9.0467 9.0467 15.1620 15.1620 16.0696 16.0696 k = 0.0000 0.5001 0.4772 ( 1092 PWs) bands (ev): -11.9806 -11.9806 -1.3457 -1.3457 -1.0565 -1.0565 6.4121 6.4121 8.3697 8.3697 8.9157 8.9157 15.0012 15.0012 15.9244 15.9244 k = 0.0000 0.5001 0.4883 ( 1090 PWs) bands (ev): -11.9274 -11.9274 -1.4669 -1.4669 -0.9641 -0.9641 6.4757 6.4757 8.4045 8.4045 8.8013 8.8013 14.8132 14.8132 15.7696 15.7696 k = 0.0000 0.5001 0.4994 ( 1090 PWs) bands (ev): -11.8751 -11.8751 -1.5857 -1.5857 -0.8712 -0.8712 6.5257 6.5257 8.4424 8.4424 8.7069 8.7069 14.6103 14.6103 15.6156 15.6156 k = 0.0000 0.5001 0.5105 ( 1088 PWs) bands (ev): -11.8238 -11.8238 -1.7014 -1.7014 -0.7785 -0.7785 6.5590 6.5590 8.4827 8.4827 8.6361 8.6361 14.3998 14.3998 15.4642 15.4642 k = 0.0000 0.5001 0.5216 ( 1088 PWs) bands (ev): -11.7738 -11.7738 -1.8132 -1.8132 -0.6867 -0.6867 6.5732 6.5732 8.5241 8.5241 8.5926 8.5926 14.1859 14.1859 15.3165 15.3165 k = 0.0000 0.5001 0.5327 ( 1086 PWs) bands (ev): -11.7253 -11.7253 -1.9207 -1.9207 -0.5960 -0.5960 6.5671 6.5671 8.5577 8.5577 8.5863 8.5863 13.9710 13.9710 15.1731 15.1731 k = 0.0000 0.5001 0.5438 ( 1086 PWs) bands (ev): -11.6784 -11.6784 -2.0236 -2.0236 -0.5071 -0.5071 6.5413 6.5413 8.5768 8.5768 8.6231 8.6231 13.7568 13.7568 15.0348 15.0348 k = 0.0000 0.5001 0.5549 ( 1092 PWs) bands (ev): -11.6334 -11.6334 -2.1214 -2.1214 -0.4203 -0.4203 6.4981 6.4981 8.6130 8.6130 8.6687 8.6687 13.5446 13.5446 14.9020 14.9020 k = 0.0000 0.5001 0.5660 ( 1090 PWs) bands (ev): -11.5905 -11.5905 -2.2137 -2.2137 -0.3361 -0.3361 6.4413 6.4413 8.6695 8.6695 8.7161 8.7161 13.3353 13.3353 14.7754 14.7754 k = 0.0000 0.5001 0.5771 ( 1090 PWs) bands (ev): -11.5500 -11.5500 -2.3002 -2.3002 -0.2551 -0.2551 6.3748 6.3748 8.7408 8.7408 8.7664 8.7664 13.1298 13.1298 14.6556 14.6556 k = 0.0000 0.5001 0.5882 ( 1092 PWs) bands (ev): -11.5122 -11.5122 -2.3805 -2.3805 -0.1780 -0.1780 6.3026 6.3026 8.8016 8.8016 8.8400 8.8400 12.9289 12.9289 14.5432 14.5432 k = 0.0000 0.5001 0.5993 ( 1092 PWs) bands (ev): -11.4771 -11.4771 -2.4542 -2.4542 -0.1053 -0.1053 6.2282 6.2282 8.8477 8.8477 8.9374 8.9374 12.7338 12.7338 14.4389 14.4389 k = 0.0000 0.5001 0.6104 ( 1094 PWs) bands (ev): -11.4450 -11.4450 -2.5212 -2.5212 -0.0378 -0.0378 6.1547 6.1547 8.8899 8.8899 9.0436 9.0436 12.5454 12.5454 14.3432 14.3432 k = 0.0000 0.5001 0.6215 ( 1096 PWs) bands (ev): -11.4162 -11.4162 -2.5810 -2.5810 0.0240 0.0240 6.0844 6.0844 8.9287 8.9287 9.1542 9.1542 12.3654 12.3654 14.2568 14.2568 k = 0.0000 0.5001 0.6325 ( 1092 PWs) bands (ev): -11.3908 -11.3908 -2.6334 -2.6334 0.0793 0.0793 6.0197 6.0197 8.9639 8.9639 9.2657 9.2657 12.1958 12.1958 14.1804 14.1804 k = 0.0000 0.5001 0.6436 ( 1094 PWs) bands (ev): -11.3690 -11.3690 -2.6782 -2.6782 0.1275 0.1275 5.9620 5.9620 8.9949 8.9949 9.3744 9.3744 12.0393 12.0393 14.1146 14.1146 k = 0.0000 0.5001 0.6547 ( 1094 PWs) bands (ev): -11.3509 -11.3509 -2.7151 -2.7151 0.1679 0.1679 5.9130 5.9130 9.0211 9.0211 9.4760 9.4760 11.8993 11.8993 14.0598 14.0598 k = 0.0000 0.5001 0.6658 ( 1094 PWs) bands (ev): -11.3367 -11.3367 -2.7440 -2.7440 0.2000 0.2000 5.8736 5.8736 9.0420 9.0420 9.5654 9.5654 11.7807 11.7807 14.0167 14.0167 k = 0.0000 0.5001 0.6769 ( 1092 PWs) bands (ev): -11.3264 -11.3264 -2.7647 -2.7647 0.2233 0.2233 5.8449 5.8449 9.0573 9.0573 9.6363 9.6363 11.6891 11.6891 13.9855 13.9855 k = 0.0000 0.5001 0.6880 ( 1088 PWs) bands (ev): -11.3202 -11.3202 -2.7772 -2.7772 0.2375 0.2375 5.8275 5.8275 9.0666 9.0666 9.6823 9.6823 11.6307 11.6307 13.9668 13.9668 k = 0.0000 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.3181 -11.3181 -2.7814 -2.7814 0.2422 0.2422 5.8216 5.8216 9.0697 9.0697 9.6983 9.6983 11.6106 11.6106 13.9605 13.9605 k = 0.0000 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.3181 -11.3181 -2.7814 -2.7814 0.2422 0.2422 5.8216 5.8216 9.0697 9.0697 9.6983 9.6983 11.6106 11.6106 13.9605 13.9605 k = 0.0109 0.5001 0.6991 ( 1088 PWs) bands (ev): -11.3180 -11.3180 -2.7800 -2.7800 0.2427 0.2427 5.8219 5.8219 8.9755 8.9755 9.7951 9.7951 11.5955 11.5955 13.9795 13.9795 k = 0.0219 0.5001 0.6991 ( 1090 PWs) bands (ev): -11.3175 -11.3175 -2.7757 -2.7757 0.2440 0.2440 5.8227 5.8227 8.7765 8.7765 10.0018 10.0018 11.5518 11.5518 14.0350 14.0350 k = 0.0328 0.5001 0.6991 ( 1090 PWs) bands (ev): -11.3167 -11.3167 -2.7686 -2.7686 0.2463 0.2463 5.8241 5.8241 8.5465 8.5465 10.2446 10.2446 11.4833 11.4833 14.1232 14.1232 k = 0.0438 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.3155 -11.3155 -2.7587 -2.7587 0.2494 0.2494 5.8259 5.8259 8.3070 8.3070 10.5019 10.5019 11.3948 11.3948 14.2392 14.2392 k = 0.0547 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.3140 -11.3140 -2.7460 -2.7460 0.2535 0.2535 5.8283 5.8283 8.0648 8.0648 10.7672 10.7672 11.2913 11.2913 14.3780 14.3780 k = 0.0656 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.3122 -11.3122 -2.7304 -2.7304 0.2584 0.2584 5.8311 5.8311 7.8224 7.8224 11.0374 11.0374 11.1773 11.1773 14.5351 14.5351 k = 0.0766 0.5001 0.6991 ( 1094 PWs) bands (ev): -11.3101 -11.3101 -2.7119 -2.7119 0.2642 0.2642 5.8343 5.8343 7.5810 7.5810 11.0556 11.0556 11.3122 11.3122 14.7069 14.7069 k = 0.0875 0.5001 0.6991 ( 1094 PWs) bands (ev): -11.3077 -11.3077 -2.6907 -2.6907 0.2708 0.2708 5.8379 5.8379 7.3413 7.3413 10.9302 10.9302 11.5899 11.5899 14.8904 14.8904 k = 0.0985 0.5001 0.6991 ( 1094 PWs) bands (ev): -11.3050 -11.3050 -2.6666 -2.6666 0.2782 0.2782 5.8417 5.8417 7.1036 7.1036 10.8024 10.8024 11.8706 11.8706 15.0832 15.0832 k = 0.1094 0.5001 0.6991 ( 1096 PWs) bands (ev): -11.3021 -11.3021 -2.6396 -2.6396 0.2864 0.2864 5.8457 5.8457 6.8682 6.8682 10.6741 10.6741 12.1540 12.1540 15.2834 15.2834 k = 0.1203 0.5001 0.6991 ( 1094 PWs) bands (ev): -11.2988 -11.2988 -2.6099 -2.6099 0.2954 0.2954 5.8499 5.8499 6.6353 6.6353 10.5464 10.5464 12.4399 12.4399 15.4891 15.4891 k = 0.1313 0.5001 0.6991 ( 1094 PWs) bands (ev): -11.2954 -11.2954 -2.5773 -2.5773 0.3051 0.3051 5.8541 5.8541 6.4049 6.4049 10.4205 10.4205 12.7280 12.7280 15.5325 15.5325 k = 0.1422 0.5001 0.6991 ( 1094 PWs) bands (ev): -11.2917 -11.2917 -2.5418 -2.5418 0.3154 0.3154 5.8582 5.8582 6.1772 6.1772 10.2970 10.2970 13.0183 13.0183 15.3578 15.3578 k = 0.1532 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.2878 -11.2878 -2.5035 -2.5035 0.3264 0.3264 5.8622 5.8622 5.9522 5.9522 10.1767 10.1767 13.3106 13.3106 15.1864 15.1864 k = 0.1641 0.5001 0.6991 ( 1090 PWs) bands (ev): -11.2836 -11.2836 -2.4624 -2.4624 0.3379 0.3379 5.7298 5.7298 5.8658 5.8658 10.0600 10.0600 13.6048 13.6048 15.0184 15.0184 k = 0.1750 0.5001 0.6991 ( 1090 PWs) bands (ev): -11.2793 -11.2793 -2.4185 -2.4185 0.3500 0.3500 5.5103 5.5103 5.8691 5.8691 9.9473 9.9473 13.9005 13.9005 14.8543 14.8543 k = 0.1860 0.5001 0.6991 ( 1082 PWs) bands (ev): -11.2747 -11.2747 -2.3717 -2.3717 0.3626 0.3626 5.2937 5.2937 5.8719 5.8719 9.8392 9.8392 14.1970 14.1970 14.6950 14.6950 k = 0.1969 0.5001 0.6991 ( 1080 PWs) bands (ev): -11.2701 -11.2701 -2.3221 -2.3221 0.3756 0.3756 5.0799 5.0799 5.8740 5.8740 9.7357 9.7357 14.4747 14.4747 14.5601 14.5601 k = 0.2079 0.5001 0.6991 ( 1082 PWs) bands (ev): -11.2654 -11.2654 -2.2697 -2.2697 0.3890 0.3890 4.8689 4.8689 5.8754 5.8754 9.6372 9.6372 14.3788 14.3788 14.8043 14.8043 k = 0.2188 0.5001 0.6991 ( 1084 PWs) bands (ev): -11.2606 -11.2606 -2.2145 -2.2145 0.4027 0.4027 4.6609 4.6609 5.8760 5.8760 9.5439 9.5439 14.2322 14.2322 15.1048 15.1048 k = 0.2298 0.5001 0.6991 ( 1084 PWs) bands (ev): -11.2557 -11.2557 -2.1565 -2.1565 0.4166 0.4166 4.4558 4.4558 5.8757 5.8757 9.4560 9.4560 14.0888 14.0888 15.4076 15.4076 k = 0.2407 0.5001 0.6991 ( 1084 PWs) bands (ev): -11.2508 -11.2508 -2.0957 -2.0957 0.4307 0.4307 4.2537 4.2537 5.8744 5.8744 9.3736 9.3736 13.9497 13.9497 15.7117 15.7117 k = 0.2516 0.5001 0.6991 ( 1086 PWs) bands (ev): -11.2459 -11.2459 -2.0321 -2.0321 0.4449 0.4449 4.0546 4.0546 5.8720 5.8720 9.2966 9.2966 13.8151 13.8151 16.0167 16.0167 k = 0.2626 0.5001 0.6991 ( 1084 PWs) bands (ev): -11.2409 -11.2409 -1.9657 -1.9657 0.4592 0.4592 3.8585 3.8585 5.8686 5.8686 9.2253 9.2253 13.6853 13.6853 16.0323 16.0323 k = 0.2735 0.5001 0.6991 ( 1084 PWs) bands (ev): -11.2360 -11.2360 -1.8965 -1.8965 0.4734 0.4734 3.6655 3.6655 5.8641 5.8641 9.1597 9.1597 13.5604 13.5604 15.8953 15.8953 k = 0.2845 0.5001 0.6991 ( 1088 PWs) bands (ev): -11.2311 -11.2311 -1.8246 -1.8246 0.4875 0.4875 3.4756 3.4756 5.8584 5.8584 9.0995 9.0995 13.4405 13.4405 15.7608 15.7608 k = 0.2954 0.5001 0.6991 ( 1088 PWs) bands (ev): -11.2263 -11.2263 -1.7500 -1.7500 0.5014 0.5014 3.2888 3.2888 5.8517 5.8517 9.0449 9.0449 13.3257 13.3257 15.6300 15.6300 k = 0.3063 0.5001 0.6991 ( 1084 PWs) bands (ev): -11.2215 -11.2215 -1.6726 -1.6726 0.5151 0.5151 3.1053 3.1053 5.8441 5.8441 8.9955 8.9955 13.2162 13.2162 15.5033 15.5033 k = 0.3173 0.5001 0.6991 ( 1082 PWs) bands (ev): -11.2169 -11.2169 -1.5926 -1.5926 0.5284 0.5284 2.9249 2.9249 5.8355 5.8355 8.9514 8.9514 13.1120 13.1120 15.3813 15.3813 k = 0.3282 0.5001 0.6991 ( 1084 PWs) bands (ev): -11.2124 -11.2124 -1.5099 -1.5099 0.5412 0.5412 2.7479 2.7479 5.8260 5.8260 8.9122 8.9122 13.0133 13.0133 15.2645 15.2645 k = 0.3392 0.5001 0.6991 ( 1086 PWs) bands (ev): -11.2081 -11.2081 -1.4246 -1.4246 0.5534 0.5534 2.5743 2.5743 5.8160 5.8160 8.8777 8.8777 12.9201 12.9201 15.1531 15.1531 k = 0.3501 0.5001 0.6991 ( 1084 PWs) bands (ev): -11.2039 -11.2039 -1.3368 -1.3368 0.5650 0.5650 2.4042 2.4042 5.8054 5.8054 8.8477 8.8477 12.8326 12.8326 15.0475 15.0475 k = 0.3610 0.5001 0.6991 ( 1088 PWs) bands (ev): -11.1999 -11.1999 -1.2466 -1.2466 0.5758 0.5758 2.2377 2.2377 5.7945 5.7945 8.8218 8.8218 12.7508 12.7508 14.9479 14.9479 k = 0.3720 0.5001 0.6991 ( 1086 PWs) bands (ev): -11.1961 -11.1961 -1.1540 -1.1540 0.5857 0.5857 2.0751 2.0751 5.7834 5.7834 8.7997 8.7997 12.6748 12.6748 14.8546 14.8546 k = 0.3829 0.5001 0.6991 ( 1086 PWs) bands (ev): -11.1926 -11.1926 -1.0593 -1.0593 0.5945 0.5945 1.9165 1.9165 5.7724 5.7724 8.7811 8.7811 12.6048 12.6048 14.7679 14.7679 k = 0.3939 0.5001 0.6991 ( 1088 PWs) bands (ev): -11.1894 -11.1894 -0.9626 -0.9626 0.6020 0.6020 1.7624 1.7624 5.7615 5.7615 8.7656 8.7656 12.5407 12.5407 14.6880 14.6880 k = 0.4048 0.5001 0.6991 ( 1086 PWs) bands (ev): -11.1863 -11.1863 -0.8642 -0.8642 0.6080 0.6080 1.6132 1.6132 5.7510 5.7510 8.7530 8.7530 12.4827 12.4827 14.6151 14.6151 k = 0.4157 0.5001 0.6991 ( 1086 PWs) bands (ev): -11.1836 -11.1836 -0.7645 -0.7645 0.6121 0.6121 1.4697 1.4697 5.7411 5.7411 8.7429 8.7429 12.4308 12.4308 14.5494 14.5494 k = 0.4267 0.5001 0.6991 ( 1088 PWs) bands (ev): -11.1812 -11.1812 -0.6643 -0.6643 0.6137 0.6137 1.3330 1.3330 5.7319 5.7319 8.7350 8.7350 12.3850 12.3850 14.4911 14.4911 k = 0.4376 0.5001 0.6991 ( 1090 PWs) bands (ev): -11.1791 -11.1791 -0.5645 -0.5645 0.6120 0.6120 1.2050 1.2050 5.7236 5.7236 8.7289 8.7289 12.3455 12.3455 14.4405 14.4405 k = 0.4486 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.1773 -11.1773 -0.4666 -0.4666 0.6057 0.6057 1.0883 1.0883 5.7163 5.7163 8.7245 8.7245 12.3123 12.3123 14.3976 14.3976 k = 0.4595 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.1759 -11.1759 -0.3734 -0.3734 0.5935 0.5935 0.9872 0.9872 5.7102 5.7102 8.7216 8.7216 12.2854 12.2854 14.3626 14.3626 k = 0.4704 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.1748 -11.1748 -0.2895 -0.2895 0.5748 0.5748 0.9067 0.9067 5.7053 5.7053 8.7198 8.7198 12.2648 12.2648 14.3356 14.3356 k = 0.4814 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.1740 -11.1740 -0.2221 -0.2221 0.5535 0.5535 0.8501 0.8501 5.7017 5.7017 8.7191 8.7191 12.2507 12.2507 14.3168 14.3168 k = 0.4923 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.1736 -11.1736 -0.1818 -0.1818 0.5414 0.5414 0.8162 0.8162 5.6995 5.6995 8.7194 8.7194 12.2429 12.2429 14.3061 14.3061 k = 0.4923 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.1736 -11.1736 -0.1818 -0.1818 0.5414 0.5414 0.8162 0.8162 5.6995 5.6995 8.7194 8.7194 12.2429 12.2429 14.3061 14.3061 k = 0.4846 0.4922 0.6991 ( 1092 PWs) bands (ev): -11.1741 -11.1741 -0.2289 -0.2289 0.5468 0.5468 0.8650 0.8650 5.7028 5.7028 8.7178 8.7178 12.2527 12.2527 14.3201 14.3201 k = 0.4769 0.4844 0.6991 ( 1092 PWs) bands (ev): -11.1750 -11.1750 -0.2989 -0.2989 0.5550 0.5550 0.9385 0.9385 5.7082 5.7082 8.7153 8.7153 12.2690 12.2690 14.3435 14.3435 k = 0.4692 0.4766 0.6991 ( 1092 PWs) bands (ev): -11.1762 -11.1762 -0.3844 -0.3844 0.5658 0.5658 1.0297 1.0297 5.7158 5.7158 8.7118 8.7118 12.2919 12.2919 14.3761 14.3761 k = 0.4616 0.4688 0.6991 ( 1092 PWs) bands (ev): -11.1777 -11.1777 -0.4799 -0.4799 0.5791 0.5791 1.1331 1.1331 5.7255 5.7255 8.7075 8.7075 12.3213 12.3213 14.4179 14.4179 k = 0.4539 0.4610 0.6991 ( 1092 PWs) bands (ev): -11.1796 -11.1796 -0.5816 -0.5816 0.5950 0.5950 1.2448 1.2448 5.7374 5.7374 8.7026 8.7026 12.3572 12.3572 14.4687 14.4687 k = 0.4462 0.4532 0.6991 ( 1096 PWs) bands (ev): -11.1819 -11.1819 -0.6872 -0.6872 0.6135 0.6135 1.3625 1.3625 5.7515 5.7515 8.6970 8.6970 12.3995 12.3995 14.5283 14.5283 k = 0.4385 0.4454 0.6991 ( 1096 PWs) bands (ev): -11.1845 -11.1845 -0.7952 -0.7952 0.6348 0.6348 1.4845 1.4845 5.7677 5.7677 8.6911 8.6911 12.4484 12.4484 14.5967 14.5967 k = 0.4308 0.4376 0.6991 ( 1092 PWs) bands (ev): -11.1874 -11.1874 -0.9044 -0.9044 0.6588 0.6588 1.6098 1.6098 5.7860 5.7860 8.6849 8.6849 12.5037 12.5037 14.6735 14.6735 k = 0.4231 0.4297 0.6991 ( 1092 PWs) bands (ev): -11.1905 -11.1905 -1.0142 -1.0142 0.6856 0.6856 1.7377 1.7377 5.8064 5.8064 8.6788 8.6788 12.5654 12.5654 14.7587 14.7587 k = 0.4154 0.4219 0.6991 ( 1092 PWs) bands (ev): -11.1940 -11.1940 -1.1240 -1.1240 0.7152 0.7152 1.8676 1.8676 5.8290 5.8290 8.6728 8.6728 12.6336 12.6336 14.8520 14.8520 k = 0.4077 0.4141 0.6991 ( 1092 PWs) bands (ev): -11.1978 -11.1978 -1.2336 -1.2336 0.7474 0.7474 1.9991 1.9991 5.8536 5.8536 8.6671 8.6671 12.7081 12.7081 14.9531 14.9531 k = 0.4000 0.4063 0.6991 ( 1084 PWs) bands (ev): -11.2019 -11.2019 -1.3425 -1.3425 0.7826 0.7826 2.1321 2.1321 5.8803 5.8803 8.6620 8.6620 12.7889 12.7889 15.0620 15.0620 k = 0.3923 0.3985 0.6991 ( 1084 PWs) bands (ev): -11.2063 -11.2063 -1.4506 -1.4506 0.8204 0.8204 2.2662 2.2662 5.9090 5.9090 8.6577 8.6577 12.8760 12.8760 15.1783 15.1783 k = 0.3846 0.3907 0.6991 ( 1084 PWs) bands (ev): -11.2109 -11.2109 -1.5577 -1.5577 0.8609 0.8609 2.4014 2.4014 5.9398 5.9398 8.6542 8.6542 12.9693 12.9693 15.3018 15.3018 k = 0.3769 0.3829 0.6991 ( 1084 PWs) bands (ev): -11.2158 -11.2158 -1.6637 -1.6637 0.9042 0.9042 2.5375 2.5375 5.9726 5.9726 8.6519 8.6519 13.0688 13.0688 15.4325 15.4325 k = 0.3692 0.3750 0.6991 ( 1084 PWs) bands (ev): -11.2210 -11.2210 -1.7684 -1.7684 0.9503 0.9503 2.6744 2.6744 6.0074 6.0074 8.6509 8.6509 13.1743 13.1743 15.5700 15.5700 k = 0.3616 0.3672 0.6991 ( 1082 PWs) bands (ev): -11.2263 -11.2263 -1.8717 -1.8717 0.9990 0.9990 2.8121 2.8121 6.0441 6.0441 8.6514 8.6514 13.2859 13.2859 15.7141 15.7141 k = 0.3539 0.3594 0.6991 ( 1084 PWs) bands (ev): -11.2320 -11.2320 -1.9736 -1.9736 1.0505 1.0505 2.9504 2.9504 6.0827 6.0827 8.6535 8.6535 13.4034 13.4034 15.8648 15.8648 k = 0.3462 0.3516 0.6991 ( 1084 PWs) bands (ev): -11.2378 -11.2378 -2.0739 -2.0739 1.1047 1.1047 3.0893 3.0893 6.1233 6.1233 8.6573 8.6573 13.5268 13.5268 16.0217 16.0217 k = 0.3385 0.3438 0.6991 ( 1086 PWs) bands (ev): -11.2438 -11.2438 -2.1727 -2.1727 1.1616 1.1616 3.2288 3.2288 6.1657 6.1657 8.6630 8.6630 13.6558 13.6558 16.1848 16.1848 k = 0.3308 0.3360 0.6991 ( 1086 PWs) bands (ev): -11.2501 -11.2501 -2.2698 -2.2698 1.2212 1.2212 3.3689 3.3689 6.2099 6.2099 8.6708 8.6708 13.7904 13.7904 16.3538 16.3538 k = 0.3231 0.3282 0.6991 ( 1082 PWs) bands (ev): -11.2564 -11.2564 -2.3652 -2.3652 1.2834 1.2834 3.5096 3.5096 6.2560 6.2560 8.6808 8.6808 13.9304 13.9304 16.5286 16.5286 k = 0.3154 0.3204 0.6991 ( 1086 PWs) bands (ev): -11.2630 -11.2630 -2.4588 -2.4588 1.3482 1.3482 3.6507 3.6507 6.3037 6.3037 8.6930 8.6930 14.0756 14.0756 16.5618 16.5618 k = 0.3077 0.3125 0.6991 ( 1086 PWs) bands (ev): -11.2697 -11.2697 -2.5506 -2.5506 1.4157 1.4157 3.7924 3.7924 6.3532 6.3532 8.7075 8.7075 14.2256 14.2256 16.3057 16.3057 k = 0.3000 0.3047 0.6991 ( 1086 PWs) bands (ev): -11.2765 -11.2765 -2.6405 -2.6405 1.4857 1.4857 3.9345 3.9345 6.4043 6.4043 8.7246 8.7246 14.3803 14.3803 16.0502 16.0502 k = 0.2923 0.2969 0.6991 ( 1082 PWs) bands (ev): -11.2834 -11.2834 -2.7285 -2.7285 1.5584 1.5584 4.0772 4.0772 6.4570 6.4570 8.7441 8.7441 14.5391 14.5391 15.7958 15.7958 k = 0.2846 0.2891 0.6991 ( 1086 PWs) bands (ev): -11.2905 -11.2905 -2.8146 -2.8146 1.6335 1.6335 4.2203 4.2203 6.5112 6.5112 8.7663 8.7663 14.7014 14.7014 15.5424 15.5424 k = 0.2769 0.2813 0.6991 ( 1082 PWs) bands (ev): -11.2976 -11.2976 -2.8987 -2.8987 1.7112 1.7112 4.3640 4.3640 6.5669 6.5669 8.7912 8.7912 14.8665 14.8665 15.2903 15.2903 k = 0.2692 0.2735 0.6991 ( 1086 PWs) bands (ev): -11.3048 -11.3048 -2.9809 -2.9809 1.7915 1.7915 4.5082 4.5082 6.6240 6.6240 8.8188 8.8188 15.0326 15.0326 15.0403 15.0403 k = 0.2615 0.2657 0.6991 ( 1086 PWs) bands (ev): -11.3120 -11.3120 -3.0610 -3.0610 1.8742 1.8742 4.6529 4.6529 6.6825 6.6825 8.8491 8.8491 14.7906 14.7906 15.1999 15.1999 k = 0.2539 0.2578 0.6991 ( 1086 PWs) bands (ev): -11.3193 -11.3193 -3.1390 -3.1390 1.9593 1.9593 4.7981 4.7981 6.7421 6.7421 8.8824 8.8824 14.5432 14.5432 15.3639 15.3639 k = 0.2462 0.2500 0.6991 ( 1094 PWs) bands (ev): -11.3266 -11.3266 -3.2150 -3.2150 2.0467 2.0467 4.9439 4.9439 6.8029 6.8029 8.9184 8.9184 14.2974 14.2974 15.5209 15.5209 k = 0.2385 0.2422 0.6991 ( 1094 PWs) bands (ev): -11.3338 -11.3338 -3.2888 -3.2888 2.1365 2.1365 5.0902 5.0902 6.8648 6.8648 8.9574 8.9574 14.0538 14.0538 15.6644 15.6644 k = 0.2308 0.2344 0.6991 ( 1090 PWs) bands (ev): -11.3410 -11.3410 -3.3605 -3.3605 2.2286 2.2286 5.2370 5.2370 6.9278 6.9278 8.9992 8.9992 13.8122 13.8122 15.7833 15.7833 k = 0.2231 0.2266 0.6991 ( 1090 PWs) bands (ev): -11.3482 -11.3482 -3.4301 -3.4301 2.3230 2.3230 5.3844 5.3844 6.9915 6.9915 9.0440 9.0440 13.5728 13.5728 15.8626 15.8626 k = 0.2154 0.2188 0.6991 ( 1088 PWs) bands (ev): -11.3553 -11.3553 -3.4974 -3.4974 2.4195 2.4195 5.5324 5.5324 7.0561 7.0561 9.0917 9.0917 13.3357 13.3357 15.8871 15.8871 k = 0.2077 0.2110 0.6991 ( 1088 PWs) bands (ev): -11.3624 -11.3624 -3.5625 -3.5625 2.5181 2.5181 5.6809 5.6809 7.1212 7.1212 9.1422 9.1422 13.1011 13.1011 15.8509 15.8509 k = 0.2000 0.2031 0.6991 ( 1088 PWs) bands (ev): -11.3694 -11.3694 -3.6255 -3.6255 2.6188 2.6188 5.8299 5.8299 7.1869 7.1869 9.1957 9.1957 12.8690 12.8690 15.7624 15.7624 k = 0.1923 0.1953 0.6991 ( 1088 PWs) bands (ev): -11.3762 -11.3762 -3.6862 -3.6862 2.7213 2.7213 5.9794 5.9794 7.2529 7.2529 9.2520 9.2520 12.6396 12.6396 15.6368 15.6368 k = 0.1846 0.1875 0.6991 ( 1084 PWs) bands (ev): -11.3829 -11.3829 -3.7446 -3.7446 2.8257 2.8257 6.1294 6.1294 7.3192 7.3192 9.3111 9.3111 12.4131 12.4131 15.4868 15.4868 k = 0.1769 0.1797 0.6991 ( 1076 PWs) bands (ev): -11.3895 -11.3895 -3.8007 -3.8007 2.9319 2.9319 6.2799 6.2799 7.3855 7.3855 9.3731 9.3731 12.1897 12.1897 15.3216 15.3216 k = 0.1692 0.1719 0.6991 ( 1076 PWs) bands (ev): -11.3959 -11.3959 -3.8546 -3.8546 3.0395 3.0395 6.4307 6.4307 7.4517 7.4517 9.4377 9.4377 11.9693 11.9693 15.1467 15.1467 k = 0.1615 0.1641 0.6991 ( 1080 PWs) bands (ev): -11.4023 -11.4023 -3.9062 -3.9062 3.1485 3.1485 6.5819 6.5819 7.5175 7.5175 9.5049 9.5049 11.7523 11.7523 14.9656 14.9656 k = 0.1539 0.1563 0.6991 ( 1080 PWs) bands (ev): -11.4084 -11.4084 -3.9554 -3.9554 3.2589 3.2589 6.7334 6.7334 7.5829 7.5829 9.5748 9.5748 11.5390 11.5390 14.7808 14.7808 k = 0.1462 0.1485 0.6991 ( 1080 PWs) bands (ev): -11.4143 -11.4143 -4.0024 -4.0024 3.3703 3.3703 6.8850 6.8850 7.6475 7.6475 9.6470 9.6470 11.3295 11.3295 14.5939 14.5939 k = 0.1385 0.1406 0.6991 ( 1076 PWs) bands (ev): -11.4199 -11.4199 -4.0469 -4.0469 3.4825 3.4825 7.0366 7.0366 7.7114 7.7114 9.7216 9.7216 11.1241 11.1241 14.4061 14.4061 k = 0.1308 0.1328 0.6991 ( 1076 PWs) bands (ev): -11.4253 -11.4253 -4.0892 -4.0892 3.5953 3.5953 7.1881 7.1881 7.7739 7.7739 9.7983 9.7983 10.9231 10.9231 14.2181 14.2181 k = 0.1231 0.1250 0.6991 ( 1076 PWs) bands (ev): -11.4306 -11.4306 -4.1291 -4.1291 3.7084 3.7084 7.3393 7.3393 7.8351 7.8351 9.8769 9.8769 10.7269 10.7269 14.0308 14.0308 k = 0.1154 0.1172 0.6991 ( 1076 PWs) bands (ev): -11.4355 -11.4355 -4.1666 -4.1666 3.8214 3.8214 7.4898 7.4898 7.8946 7.8946 9.9572 9.9572 10.5358 10.5358 13.8449 13.8449 k = 0.1077 0.1094 0.6991 ( 1076 PWs) bands (ev): -11.4403 -11.4403 -4.2017 -4.2017 3.9338 3.9338 7.6394 7.6394 7.9521 7.9521 10.0386 10.0386 10.3507 10.3507 13.6610 13.6610 k = 0.1000 0.1016 0.6991 ( 1076 PWs) bands (ev): -11.4447 -11.4447 -4.2344 -4.2344 4.0453 4.0453 7.7876 7.7876 8.0075 8.0075 10.1165 10.1165 10.1764 10.1764 13.4799 13.4799 k = 0.0923 0.0938 0.6991 ( 1084 PWs) bands (ev): -11.4491 -11.4491 -4.2648 -4.2648 4.1550 4.1550 7.9340 7.9340 8.0603 8.0603 9.9957 9.9957 10.2082 10.2082 13.3020 13.3020 k = 0.0846 0.0859 0.6991 ( 1088 PWs) bands (ev): -11.4530 -11.4530 -4.2927 -4.2927 4.2626 4.2626 8.0778 8.0778 8.1103 8.1103 9.8314 9.8314 10.2913 10.2913 13.1283 13.1283 k = 0.0769 0.0781 0.6991 ( 1088 PWs) bands (ev): -11.4566 -11.4566 -4.3183 -4.3183 4.3672 4.3672 8.1572 8.1572 8.2182 8.2182 9.6749 9.6749 10.3747 10.3747 12.9597 12.9597 k = 0.0692 0.0703 0.6991 ( 1088 PWs) bands (ev): -11.4598 -11.4598 -4.3414 -4.3414 4.4678 4.4678 8.2008 8.2008 8.3540 8.3540 9.5280 9.5280 10.4570 10.4570 12.7973 12.7973 k = 0.0615 0.0625 0.6991 ( 1088 PWs) bands (ev): -11.4627 -11.4627 -4.3621 -4.3621 4.5634 4.5634 8.2407 8.2407 8.4835 8.4835 9.3923 9.3923 10.5373 10.5373 12.6423 12.6423 k = 0.0538 0.0547 0.6991 ( 1088 PWs) bands (ev): -11.4653 -11.4653 -4.3804 -4.3804 4.6528 4.6528 8.2767 8.2767 8.6043 8.6043 9.2699 9.2699 10.6144 10.6144 12.4963 12.4963 k = 0.0462 0.0469 0.6991 ( 1092 PWs) bands (ev): -11.4676 -11.4676 -4.3962 -4.3962 4.7348 4.7348 8.3083 8.3083 8.7117 8.7117 9.1650 9.1650 10.6869 10.6869 12.3612 12.3612 k = 0.0385 0.0391 0.6991 ( 1100 PWs) bands (ev): -11.4696 -11.4696 -4.4097 -4.4097 4.8076 4.8076 8.3355 8.3355 8.7956 8.7956 9.0870 9.0870 10.7533 10.7533 12.2394 12.2394 k = 0.0308 0.0313 0.6991 ( 1100 PWs) bands (ev): -11.4712 -11.4712 -4.4207 -4.4207 4.8701 4.8701 8.3582 8.3582 8.8329 8.8329 9.0579 9.0579 10.8116 10.8116 12.1334 12.1334 k = 0.0231 0.0234 0.6991 ( 1098 PWs) bands (ev): -11.4724 -11.4724 -4.4292 -4.4292 4.9206 4.9206 8.3760 8.3760 8.8174 8.8174 9.0824 9.0824 10.8600 10.8600 12.0464 12.0464 k = 0.0154 0.0156 0.6991 ( 1098 PWs) bands (ev): -11.4733 -11.4733 -4.4353 -4.4353 4.9578 4.9578 8.3889 8.3889 8.7865 8.7865 9.1216 9.1216 10.8963 10.8963 11.9813 11.9813 k = 0.0077 0.0078 0.6991 ( 1098 PWs) bands (ev): -11.4738 -11.4738 -4.4390 -4.4390 4.9807 4.9807 8.3966 8.3966 8.7633 8.7633 9.1505 9.1505 10.9190 10.9190 11.9410 11.9410 k = 0.0000 0.0000 0.6991 ( 1102 PWs) bands (ev): -11.4740 -11.4740 -4.4402 -4.4402 4.9883 4.9883 8.3992 8.3992 8.7550 8.7550 9.1609 9.1609 10.9266 10.9266 11.9273 11.9273 k = 0.0000 0.0000 0.6991 ( 1102 PWs) bands (ev): -11.4740 -11.4740 -4.4402 -4.4402 4.9883 4.9883 8.3992 8.3992 8.7550 8.7550 9.1609 9.1609 10.9266 10.9266 11.9273 11.9273 k = 0.0000 0.0000 0.6880 ( 1102 PWs) bands (ev): -11.4766 -11.4766 -4.4356 -4.4356 4.9864 4.9864 8.3139 8.3139 8.8365 8.8365 9.1592 9.1592 10.9058 10.9058 11.9516 11.9516 k = 0.0000 0.0000 0.6769 ( 1102 PWs) bands (ev): -11.4844 -11.4844 -4.4219 -4.4219 4.9805 4.9805 8.1510 8.1510 8.9691 8.9691 9.1733 9.1733 10.8487 10.8487 12.0195 12.0195 k = 0.0000 0.0000 0.6658 ( 1098 PWs) bands (ev): -11.4973 -11.4973 -4.3991 -4.3991 4.9707 4.9707 7.9718 7.9718 9.0144 9.0144 9.2810 9.2810 10.7662 10.7662 12.1198 12.1198 k = 0.0000 0.0000 0.6547 ( 1098 PWs) bands (ev): -11.5152 -11.5152 -4.3675 -4.3675 4.9571 4.9571 7.7891 7.7891 8.9806 8.9806 9.4624 9.4624 10.6686 10.6686 12.2424 12.2424 k = 0.0000 0.0000 0.6436 ( 1098 PWs) bands (ev): -11.5380 -11.5380 -4.3271 -4.3271 4.9398 4.9398 7.6065 7.6065 8.9197 8.9197 9.6637 9.6637 10.5629 10.5629 12.3803 12.3803 k = 0.0000 0.0000 0.6325 ( 1094 PWs) bands (ev): -11.5653 -11.5653 -4.2783 -4.2783 4.9188 4.9188 7.4254 7.4254 8.8436 8.8436 9.8732 9.8732 10.4533 10.4533 12.5292 12.5292 k = 0.0000 0.0000 0.6215 ( 1094 PWs) bands (ev): -11.5971 -11.5971 -4.2213 -4.2213 4.8943 4.8943 7.2463 7.2463 8.7564 8.7564 10.0876 10.0876 10.3426 10.3426 12.6864 12.6864 k = 0.0000 0.0000 0.6104 ( 1090 PWs) bands (ev): -11.6329 -11.6329 -4.1564 -4.1564 4.8665 4.8665 7.0696 7.0696 8.6605 8.6605 10.2315 10.2315 10.3071 10.3071 12.8504 12.8504 k = 0.0000 0.0000 0.5993 ( 1082 PWs) bands (ev): -11.6726 -11.6726 -4.0840 -4.0840 4.8355 4.8355 6.8955 6.8955 8.5576 8.5576 10.1235 10.1235 10.5285 10.5285 13.0199 13.0199 k = 0.0000 0.0000 0.5882 ( 1082 PWs) bands (ev): -11.7159 -11.7159 -4.0046 -4.0046 4.8014 4.8014 6.7242 6.7242 8.4491 8.4491 10.0175 10.0175 10.7537 10.7537 13.1940 13.1940 k = 0.0000 0.0000 0.5771 ( 1082 PWs) bands (ev): -11.7624 -11.7624 -3.9184 -3.9184 4.7645 4.7645 6.5556 6.5556 8.3363 8.3363 9.9145 9.9145 10.9818 10.9818 13.3723 13.3723 k = 0.0000 0.0000 0.5660 ( 1086 PWs) bands (ev): -11.8119 -11.8119 -3.8259 -3.8259 4.7249 4.7249 6.3898 6.3898 8.2203 8.2203 9.8149 9.8149 11.2129 11.2129 13.5542 13.5542 k = 0.0000 0.0000 0.5549 ( 1086 PWs) bands (ev): -11.8639 -11.8639 -3.7275 -3.7275 4.6830 4.6830 6.2270 6.2270 8.1019 8.1019 9.7192 9.7192 11.4468 11.4468 13.7396 13.7396 k = 0.0000 0.0000 0.5438 ( 1082 PWs) bands (ev): -11.9182 -11.9182 -3.6235 -3.6235 4.6388 4.6388 6.0671 6.0671 7.9819 7.9819 9.6276 9.6276 11.6834 11.6834 13.9282 13.9282 k = 0.0000 0.0000 0.5327 ( 1090 PWs) bands (ev): -11.9747 -11.9747 -3.5146 -3.5146 4.5925 4.5925 5.9101 5.9101 7.8609 7.8609 9.5402 9.5402 11.9226 11.9226 14.1195 14.1195 k = 0.0000 0.0000 0.5216 ( 1086 PWs) bands (ev): -12.0328 -12.0328 -3.4011 -3.4011 4.5445 4.5445 5.7562 5.7562 7.7394 7.7394 9.4577 9.4577 12.1645 12.1645 14.3133 14.3133 k = 0.0000 0.0000 0.5105 ( 1074 PWs) bands (ev): -12.0924 -12.0924 -3.2833 -3.2833 4.4950 4.4950 5.6053 5.6053 7.6180 7.6180 9.3800 9.3800 12.4090 12.4090 14.5095 14.5095 k = 0.0000 0.0000 0.4994 ( 1078 PWs) bands (ev): -12.1532 -12.1532 -3.1618 -3.1618 4.4438 4.4438 5.4575 5.4575 7.4969 7.4969 9.3073 9.3073 12.6559 12.6559 14.7077 14.7077 k = 0.0000 0.0000 0.4883 ( 1078 PWs) bands (ev): -12.2149 -12.2149 -3.0370 -3.0370 4.3915 4.3915 5.3127 5.3127 7.3766 7.3766 9.2400 9.2400 12.9052 12.9052 14.9077 14.9077 k = 0.0000 0.0000 0.4772 ( 1074 PWs) bands (ev): -12.2772 -12.2772 -2.9092 -2.9092 4.3382 4.3382 5.1710 5.1710 7.2573 7.2573 9.1782 9.1782 13.1569 13.1569 15.1091 15.1091 k = 0.0000 0.0000 0.4661 ( 1074 PWs) bands (ev): -12.3401 -12.3401 -2.7790 -2.7790 4.2839 4.2839 5.0324 5.0324 7.1392 7.1392 9.1221 9.1221 13.4109 13.4109 15.3116 15.3116 k = 0.0000 0.0000 0.4550 ( 1068 PWs) bands (ev): -12.4031 -12.4031 -2.6466 -2.6466 4.2291 4.2291 4.8969 4.8969 7.0227 7.0227 9.0719 9.0719 13.6673 13.6673 15.5148 15.5148 k = 0.0000 0.0000 0.4439 ( 1068 PWs) bands (ev): -12.4664 -12.4664 -2.5127 -2.5127 4.1737 4.1737 4.7645 4.7645 6.9078 6.9078 9.0278 9.0278 13.9257 13.9257 15.7182 15.7182 k = 0.0000 0.0000 0.4328 ( 1070 PWs) bands (ev): -12.5296 -12.5296 -2.3775 -2.3775 4.1180 4.1180 4.6352 4.6352 6.7947 6.7947 8.9901 8.9901 14.1862 14.1862 15.9213 15.9213 k = 0.0000 0.0000 0.4217 ( 1078 PWs) bands (ev): -12.5926 -12.5926 -2.2416 -2.2416 4.0620 4.0620 4.5089 4.5089 6.6835 6.6835 8.9590 8.9590 14.4486 14.4486 16.1233 16.1233 k = 0.0000 0.0000 0.4106 ( 1074 PWs) bands (ev): -12.6550 -12.6550 -2.1052 -2.1052 4.0061 4.0061 4.3860 4.3860 6.5745 6.5745 8.9348 8.9348 14.7129 14.7129 16.3234 16.3234 k = 0.0000 0.0000 0.3995 ( 1074 PWs) bands (ev): -12.7170 -12.7170 -1.9688 -1.9688 3.9504 3.9504 4.2662 4.2662 6.4677 6.4677 8.9176 8.9176 14.9790 14.9790 16.5208 16.5208 k = 0.0000 0.0000 0.3884 ( 1074 PWs) bands (ev): -12.7783 -12.7783 -1.8329 -1.8329 3.8949 3.8949 4.1495 4.1495 6.3632 6.3632 8.9077 8.9077 15.2466 15.2466 16.7142 16.7142 k = 0.0000 0.0000 0.3773 ( 1074 PWs) bands (ev): -12.8387 -12.8387 -1.6978 -1.6978 3.8398 3.8398 4.0361 4.0361 6.2611 6.2611 8.9053 8.9053 15.5156 15.5156 16.9021 16.9021 k = 0.0000 0.0000 0.3662 ( 1074 PWs) bands (ev): -12.8983 -12.8983 -1.5640 -1.5640 3.7852 3.7852 3.9258 3.9258 6.1614 6.1614 8.9107 8.9107 15.7857 15.7857 17.0828 17.0828 k = 0.0000 0.0000 0.3551 ( 1074 PWs) bands (ev): -12.9568 -12.9568 -1.4317 -1.4317 3.7312 3.7312 3.8187 3.8187 6.0642 6.0642 8.9240 8.9240 16.0567 16.0567 17.2543 17.2543 k = 0.0000 0.0000 0.3440 ( 1070 PWs) bands (ev): -13.0142 -13.0142 -1.3015 -1.3015 3.6780 3.6780 3.7149 3.7149 5.9697 5.9697 8.9456 8.9456 16.3282 16.3282 17.4144 17.4144 k = 0.0000 0.0000 0.3329 ( 1070 PWs) bands (ev): -13.0704 -13.0704 -1.1737 -1.1737 3.6142 3.6142 3.6257 3.6257 5.8777 5.8777 8.9756 8.9756 16.5997 16.5997 17.5600 17.5600 k = 0.0000 0.0000 0.3218 ( 1070 PWs) bands (ev): -13.1253 -13.1253 -1.0485 -1.0485 3.5168 3.5168 3.5743 3.5743 5.7885 5.7885 9.0141 9.0141 16.8707 16.8707 17.6887 17.6887 k = 0.0000 0.0000 0.3107 ( 1070 PWs) bands (ev): -13.1789 -13.1789 -0.9265 -0.9265 3.4226 3.4226 3.5239 3.5239 5.7020 5.7020 9.0614 9.0614 17.1403 17.1403 17.7978 17.7978 k = 0.0000 0.0000 0.2996 ( 1074 PWs) bands (ev): -13.2311 -13.2311 -0.8078 -0.8078 3.3316 3.3316 3.4747 3.4747 5.6183 5.6183 9.1175 9.1175 17.4075 17.4075 17.8854 17.8854 k = 0.0000 0.0000 0.2885 ( 1074 PWs) bands (ev): -13.2817 -13.2817 -0.6928 -0.6928 3.2439 3.2439 3.4266 3.4266 5.5373 5.5373 9.1827 9.1827 17.6704 17.6704 17.9508 17.9508 k = 0.0000 0.0000 0.2774 ( 1070 PWs) bands (ev): -13.3308 -13.3308 -0.5816 -0.5816 3.1595 3.1595 3.3800 3.3800 5.4593 5.4593 9.2569 9.2569 17.9186 17.9186 18.0020 18.0020 k = 0.0000 0.0000 0.2663 ( 1070 PWs) bands (ev): -13.3784 -13.3784 -0.4747 -0.4747 3.0783 3.0783 3.3346 3.3346 5.3841 5.3841 9.3403 9.3403 17.9991 17.9991 18.1905 18.1905 k = 0.0000 0.0000 0.2552 ( 1070 PWs) bands (ev): -13.4243 -13.4243 -0.3722 -0.3722 3.0003 3.0003 3.2906 3.2906 5.3118 5.3118 9.4328 9.4328 17.9973 17.9973 18.4288 18.4288 k = 0.0000 0.0000 0.2441 ( 1070 PWs) bands (ev): -13.4685 -13.4685 -0.2742 -0.2742 2.9257 2.9257 3.2481 3.2481 5.2424 5.2424 9.5345 9.5345 17.9728 17.9728 18.6551 18.6551 k = 0.0000 0.0000 0.2330 ( 1070 PWs) bands (ev): -13.5110 -13.5110 -0.1810 -0.1810 2.8543 2.8543 3.2071 3.2071 5.1760 5.1760 9.6451 9.6451 17.9293 17.9293 18.8629 18.8629 k = 0.0000 0.0000 0.2219 ( 1074 PWs) bands (ev): -13.5517 -13.5517 -0.0925 -0.0925 2.7861 2.7861 3.1676 3.1676 5.1126 5.1126 9.7646 9.7646 17.8685 17.8685 19.0468 19.0468 k = 0.0000 0.0000 0.2108 ( 1070 PWs) bands (ev): -13.5906 -13.5906 -0.0089 -0.0089 2.7213 2.7213 3.1299 3.1299 5.0521 5.0521 9.8927 9.8927 17.7922 17.7922 19.2022 19.2022 k = 0.0000 0.0000 0.1998 ( 1074 PWs) bands (ev): -13.6277 -13.6277 0.0698 0.0698 2.6597 2.6597 3.0937 3.0937 4.9947 4.9947 10.0293 10.0293 17.7014 17.7014 19.3265 19.3265 k = 0.0000 0.0000 0.1887 ( 1076 PWs) bands (ev): -13.6629 -13.6629 0.1435 0.1435 2.6015 2.6015 3.0594 3.0594 4.9402 4.9402 10.1740 10.1740 17.5972 17.5972 19.4205 19.4205 k = 0.0000 0.0000 0.1776 ( 1076 PWs) bands (ev): -13.6963 -13.6963 0.2124 0.2124 2.5465 2.5465 3.0268 3.0268 4.8889 4.8889 10.3263 10.3263 17.4805 17.4805 19.4874 19.4874 k = 0.0000 0.0000 0.1665 ( 1076 PWs) bands (ev): -13.7277 -13.7277 0.2763 0.2763 2.4949 2.4949 2.9960 2.9960 4.8405 4.8405 10.4860 10.4860 17.3522 17.3522 19.5324 19.5324 k = 0.0000 0.0000 0.1554 ( 1070 PWs) bands (ev): -13.7571 -13.7571 0.3355 0.3355 2.4466 2.4466 2.9671 2.9671 4.7953 4.7953 10.6523 10.6523 17.2130 17.2130 19.5605 19.5605 k = 0.0000 0.0000 0.1443 ( 1068 PWs) bands (ev): -13.7846 -13.7846 0.3900 0.3900 2.4015 2.4015 2.9400 2.9400 4.7531 4.7531 10.8248 10.8248 17.0636 17.0636 19.5762 19.5762 k = 0.0000 0.0000 0.1332 ( 1069 PWs) bands (ev): -13.8102 -13.8102 0.4398 0.4398 2.3598 2.3598 2.9148 2.9148 4.7140 4.7140 11.0025 11.0025 16.9050 16.9050 19.5832 19.5832 k = 0.0000 0.0000 0.1221 ( 1069 PWs) bands (ev): -13.8338 -13.8338 0.4851 0.4851 2.3215 2.3215 2.8916 2.8916 4.6780 4.6780 11.1846 11.1846 16.7386 16.7386 19.5842 19.5842 k = 0.0000 0.0000 0.1110 ( 1069 PWs) bands (ev): -13.8553 -13.8553 0.5260 0.5260 2.2864 2.2864 2.8703 2.8703 4.6451 4.6451 11.3701 11.3701 16.5655 16.5655 19.5812 19.5812 k = 0.0000 0.0000 0.0999 ( 1071 PWs) bands (ev): -13.8749 -13.8749 0.5624 0.5624 2.2547 2.2547 2.8509 2.8509 4.6153 4.6153 11.5575 11.5575 16.3873 16.3873 19.5757 19.5757 k = 0.0000 0.0000 0.0888 ( 1071 PWs) bands (ev): -13.8924 -13.8924 0.5948 0.5948 2.2263 2.2263 2.8336 2.8336 4.5886 4.5886 11.7452 11.7452 16.2065 16.2065 19.5689 19.5689 k = 0.0000 0.0000 0.0777 ( 1073 PWs) bands (ev): -13.9079 -13.9079 0.6230 0.6230 2.2012 2.2012 2.8182 2.8182 4.5650 4.5650 11.9310 11.9310 16.0254 16.0254 19.5615 19.5615 k = 0.0000 0.0000 0.0666 ( 1065 PWs) bands (ev): -13.9213 -13.9213 0.6473 0.6473 2.1795 2.1795 2.8049 2.8049 4.5446 4.5446 12.1120 12.1120 15.8474 15.8474 19.5542 19.5542 k = 0.0000 0.0000 0.0555 ( 1069 PWs) bands (ev): -13.9327 -13.9327 0.6676 0.6676 2.1611 2.1611 2.7936 2.7936 4.5273 4.5273 12.2844 12.2844 15.6767 15.6767 19.5474 19.5474 k = 0.0000 0.0000 0.0444 ( 1065 PWs) bands (ev): -13.9420 -13.9420 0.6844 0.6844 2.1461 2.1461 2.7843 2.7843 4.5132 4.5132 12.4431 12.4431 15.5189 15.5189 19.5415 19.5415 k = 0.0000 0.0000 0.0333 ( 1065 PWs) bands (ev): -13.9492 -13.9492 0.6972 0.6972 2.1344 2.1344 2.7771 2.7771 4.5022 4.5022 12.5812 12.5812 15.3811 15.3811 19.5366 19.5366 k = 0.0000 0.0000 0.0222 ( 1061 PWs) bands (ev): -13.9544 -13.9544 0.7063 0.7063 2.1260 2.1260 2.7719 2.7719 4.4943 4.4943 12.6903 12.6903 15.2721 15.2721 19.5330 19.5330 k = 0.0000 0.0000 0.0111 ( 1061 PWs) bands (ev): -13.9575 -13.9575 0.7118 0.7118 2.1210 2.1210 2.7688 2.7688 4.4896 4.4896 12.7610 12.7610 15.2013 15.2013 19.5308 19.5308 k = 0.0000 0.0000 0.0000 ( 1057 PWs) bands (ev): -13.9585 -13.9585 0.7136 0.7136 2.1193 2.1193 2.7678 2.7678 4.4880 4.4880 12.7856 12.7856 15.1767 15.1767 19.5301 19.5301 k = 0.0000 0.0000 0.0000 ( 1057 PWs) bands (ev): -13.9585 -13.9585 0.7136 0.7136 2.1193 2.1193 2.7678 2.7678 4.4880 4.4880 12.7856 12.7856 15.1767 15.1767 19.5301 19.5301 k =-0.0078 0.0077 0.0000 ( 1057 PWs) bands (ev): -13.9580 -13.9580 0.7003 0.7003 2.1342 2.1342 2.7505 2.7505 4.5079 4.5079 12.7862 12.7862 15.1755 15.1755 19.3191 19.3191 k =-0.0156 0.0154 0.0000 ( 1061 PWs) bands (ev): -13.9565 -13.9565 0.6620 0.6620 2.1771 2.1771 2.7010 2.7010 4.5651 4.5651 12.7880 12.7880 15.1714 15.1714 19.0512 19.0512 k =-0.0234 0.0231 0.0000 ( 1069 PWs) bands (ev): -13.9539 -13.9539 0.6026 0.6026 2.2440 2.2440 2.6250 2.6250 4.6542 4.6542 12.7910 12.7910 15.1641 15.1641 18.7846 18.7846 k =-0.0312 0.0308 0.0000 ( 1075 PWs) bands (ev): -13.9504 -13.9504 0.5268 0.5268 2.3290 2.3290 2.5300 2.5300 4.7687 4.7687 12.7951 12.7951 15.1526 15.1526 18.5238 18.5238 k =-0.0391 0.0385 0.0000 ( 1075 PWs) bands (ev): -13.9457 -13.9457 0.4396 0.4396 2.3946 2.3946 2.4549 2.4549 4.9027 4.9027 12.8006 12.8006 15.1356 15.1356 18.2717 18.2717 k =-0.0469 0.0461 0.0000 ( 1073 PWs) bands (ev): -13.9400 -13.9400 0.3441 0.3441 2.2900 2.2900 2.5517 2.5517 5.0516 5.0516 12.8072 12.8072 15.1113 15.1113 18.0309 18.0309 k =-0.0547 0.0538 0.0000 ( 1073 PWs) bands (ev): -13.9334 -13.9334 0.2430 0.2430 2.1635 2.1635 2.6724 2.6724 5.2121 5.2121 12.8149 12.8149 15.0772 15.0772 17.8044 17.8044 k =-0.0625 0.0615 0.0000 ( 1071 PWs) bands (ev): -13.9257 -13.9257 0.1382 0.1382 2.0319 2.0319 2.8011 2.8011 5.3817 5.3817 12.8239 12.8239 15.0305 15.0305 17.5957 17.5957 k =-0.0703 0.0692 0.0000 ( 1075 PWs) bands (ev): -13.9171 -13.9171 0.0311 0.0311 1.8975 1.8975 2.9355 2.9355 5.5588 5.5588 12.8340 12.8340 14.9681 14.9681 17.4083 17.4083 k =-0.0781 0.0769 0.0000 ( 1074 PWs) bands (ev): -13.9075 -13.9075 -0.0773 -0.0773 1.7617 1.7617 3.0746 3.0746 5.7421 5.7421 12.8452 12.8452 14.8868 14.8868 17.2457 17.2457 k =-0.0859 0.0846 0.0000 ( 1078 PWs) bands (ev): -13.8971 -13.8971 -0.1862 -0.1862 1.6254 1.6254 3.2173 3.2173 5.9307 5.9307 12.8575 12.8575 14.7844 14.7844 17.1105 17.1105 k =-0.0938 0.0923 0.0000 ( 1078 PWs) bands (ev): -13.8857 -13.8857 -0.2951 -0.2951 1.4894 1.4894 3.3633 3.3633 6.1240 6.1240 12.8709 12.8709 14.6596 14.6596 17.0040 17.0040 k =-0.1016 0.1000 0.0000 ( 1078 PWs) bands (ev): -13.8734 -13.8734 -0.4034 -0.4034 1.3542 1.3542 3.5120 3.5120 6.3214 6.3214 12.8853 12.8853 14.5130 14.5130 16.9260 16.9260 k =-0.1094 0.1077 0.0000 ( 1078 PWs) bands (ev): -13.8602 -13.8602 -0.5111 -0.5111 1.2201 1.2201 3.6630 3.6630 6.5225 6.5225 12.9008 12.9008 14.3467 14.3467 16.8743 16.8743 k =-0.1172 0.1154 0.0000 ( 1078 PWs) bands (ev): -13.8461 -13.8461 -0.6176 -0.6176 1.0874 1.0874 3.8161 3.8161 6.7270 6.7270 12.9172 12.9172 14.1637 14.1637 16.8461 16.8461 k =-0.1250 0.1231 0.0000 ( 1080 PWs) bands (ev): -13.8312 -13.8312 -0.7230 -0.7230 0.9564 0.9564 3.9711 3.9711 6.9346 6.9346 12.9345 12.9345 13.9674 13.9674 16.8380 16.8380 k =-0.1328 0.1308 0.0000 ( 1084 PWs) bands (ev): -13.8155 -13.8155 -0.8269 -0.8269 0.8272 0.8272 4.1277 4.1277 7.1452 7.1452 12.9527 12.9527 13.7609 13.7609 16.8468 16.8468 k =-0.1406 0.1384 0.0000 ( 1084 PWs) bands (ev): -13.7991 -13.7991 -0.9292 -0.9292 0.7000 0.7000 4.2858 4.2858 7.3586 7.3586 12.9715 12.9715 13.5473 13.5473 16.8696 16.8696 k =-0.1484 0.1461 0.0000 ( 1078 PWs) bands (ev): -13.7818 -13.7818 -1.0299 -1.0299 0.5749 0.5749 4.4454 4.4454 7.5746 7.5746 12.9903 12.9903 13.3295 13.3295 16.9038 16.9038 k =-0.1562 0.1538 0.0000 ( 1078 PWs) bands (ev): -13.7639 -13.7639 -1.1288 -1.1288 0.4521 0.4521 4.6060 4.6060 7.7930 7.7930 13.0033 13.0033 13.1152 13.1152 16.9471 16.9471 k =-0.1641 0.1615 0.0000 ( 1078 PWs) bands (ev): -13.7454 -13.7454 -1.2259 -1.2259 0.3314 0.3314 4.7678 4.7678 8.0138 8.0138 12.8724 12.8724 13.0438 13.0438 16.9977 16.9977 k =-0.1719 0.1692 0.0000 ( 1078 PWs) bands (ev): -13.7262 -13.7262 -1.3210 -1.3210 0.2132 0.2132 4.9306 4.9306 8.2368 8.2368 12.6519 12.6519 13.0622 13.0622 17.0536 17.0536 k =-0.1797 0.1769 0.0000 ( 1078 PWs) bands (ev): -13.7065 -13.7065 -1.4142 -1.4142 0.0974 0.0974 5.0944 5.0944 8.4619 8.4619 12.4288 12.4288 13.0845 13.0845 17.1130 17.1130 k =-0.1875 0.1846 0.0000 ( 1078 PWs) bands (ev): -13.6862 -13.6862 -1.5054 -1.5054 -0.0160 -0.0160 5.2589 5.2589 8.6890 8.6890 12.2062 12.2062 13.1081 13.1081 17.1739 17.1739 k =-0.1953 0.1923 0.0000 ( 1078 PWs) bands (ev): -13.6654 -13.6654 -1.5945 -1.5945 -0.1269 -0.1269 5.4243 5.4243 8.9180 8.9180 11.9853 11.9853 13.1324 13.1324 17.2340 17.2340 k =-0.2031 0.2000 0.0000 ( 1078 PWs) bands (ev): -13.6441 -13.6441 -1.6814 -1.6814 -0.2352 -0.2352 5.5903 5.5903 9.1488 9.1488 11.7666 11.7666 13.1574 13.1574 17.2907 17.2907 k =-0.2109 0.2077 0.0000 ( 1074 PWs) bands (ev): -13.6224 -13.6224 -1.7662 -1.7662 -0.3409 -0.3409 5.7573 5.7573 9.3814 9.3814 11.5507 11.5507 13.1830 13.1830 17.3406 17.3406 k =-0.2188 0.2154 0.0000 ( 1078 PWs) bands (ev): -13.6003 -13.6003 -1.8489 -1.8489 -0.4440 -0.4440 5.9245 5.9245 9.6155 9.6155 11.3378 11.3378 13.2091 13.2091 17.3799 17.3799 k =-0.2266 0.2231 0.0000 ( 1082 PWs) bands (ev): -13.5780 -13.5780 -1.9293 -1.9293 -0.5445 -0.5445 6.0923 6.0923 9.8511 9.8511 11.1284 11.1284 13.2355 13.2355 17.4044 17.4044 k =-0.2344 0.2307 0.0000 ( 1082 PWs) bands (ev): -13.5554 -13.5554 -2.0075 -2.0075 -0.6423 -0.6423 6.2605 6.2605 10.0879 10.0879 10.9228 10.9228 13.2624 13.2624 17.4100 17.4100 k =-0.2422 0.2384 0.0000 ( 1078 PWs) bands (ev): -13.5325 -13.5325 -2.0834 -2.0834 -0.7374 -0.7374 6.4292 6.4292 10.3259 10.3259 10.7213 10.7213 13.2896 13.2896 17.3936 17.3936 k =-0.2500 0.2461 0.0000 ( 1078 PWs) bands (ev): -13.5095 -13.5095 -2.1570 -2.1570 -0.8298 -0.8298 6.5982 6.5982 10.5176 10.5176 10.5714 10.5714 13.3170 13.3170 17.3536 17.3536 k =-0.2578 0.2538 0.0000 ( 1078 PWs) bands (ev): -13.4864 -13.4864 -2.2284 -2.2284 -0.9195 -0.9195 6.7675 6.7675 10.3291 10.3291 10.8069 10.8069 13.3446 13.3446 17.2903 17.2903 k =-0.2656 0.2615 0.0000 ( 1078 PWs) bands (ev): -13.4632 -13.4632 -2.2975 -2.2975 -1.0064 -1.0064 6.9370 6.9370 10.1406 10.1406 11.0479 11.0479 13.3723 13.3723 17.2062 17.2062 k =-0.2734 0.2692 0.0000 ( 1078 PWs) bands (ev): -13.4400 -13.4400 -2.3642 -2.3642 -1.0906 -1.0906 7.1068 7.1068 9.9565 9.9565 11.2897 11.2897 13.4001 13.4001 17.1044 17.1044 k =-0.2812 0.2769 0.0000 ( 1082 PWs) bands (ev): -13.4169 -13.4169 -2.4287 -2.4287 -1.1721 -1.1721 7.2768 7.2768 9.7773 9.7773 11.5319 11.5319 13.4279 13.4279 16.9879 16.9879 k =-0.2891 0.2846 0.0000 ( 1082 PWs) bands (ev): -13.3939 -13.3939 -2.4908 -2.4908 -1.2508 -1.2508 7.4469 7.4469 9.6031 9.6031 11.7746 11.7746 13.4557 13.4557 16.8599 16.8599 k =-0.2969 0.2923 0.0000 ( 1084 PWs) bands (ev): -13.3711 -13.3711 -2.5505 -2.5505 -1.3266 -1.3266 7.6170 7.6170 9.4340 9.4340 12.0172 12.0172 13.4835 13.4835 16.7228 16.7228 k =-0.3047 0.3000 0.0000 ( 1080 PWs) bands (ev): -13.3485 -13.3485 -2.6079 -2.6079 -1.3997 -1.3997 7.7873 7.7873 9.2701 9.2701 12.2597 12.2597 13.5114 13.5114 16.5786 16.5786 k =-0.3125 0.3077 0.0000 ( 1076 PWs) bands (ev): -13.3261 -13.3261 -2.6630 -2.6630 -1.4700 -1.4700 7.9576 7.9576 9.1117 9.1117 12.5015 12.5015 13.5394 13.5394 16.4288 16.4288 k =-0.3203 0.3154 0.0000 ( 1076 PWs) bands (ev): -13.3042 -13.3042 -2.7157 -2.7157 -1.5374 -1.5374 8.1276 8.1276 8.9589 8.9589 12.7420 12.7420 13.5678 13.5678 16.2747 16.2747 k =-0.3281 0.3230 0.0000 ( 1076 PWs) bands (ev): -13.2826 -13.2826 -2.7662 -2.7662 -1.6021 -1.6021 8.2972 8.2972 8.8121 8.8121 12.9800 12.9800 13.5973 13.5973 16.1172 16.1172 k =-0.3359 0.3307 0.0000 ( 1078 PWs) bands (ev): -13.2616 -13.2616 -2.8143 -2.8143 -1.6639 -1.6639 8.4645 8.4645 8.6731 8.6731 13.2129 13.2129 13.6305 13.6305 15.9568 15.9568 k =-0.3438 0.3384 0.0000 ( 1072 PWs) bands (ev): -13.2410 -13.2410 -2.8600 -2.8600 -1.7228 -1.7228 8.5240 8.5240 8.6477 8.6477 13.4298 13.4298 13.6778 13.6778 15.7946 15.7946 k =-0.3516 0.3461 0.0000 ( 1074 PWs) bands (ev): -13.2210 -13.2210 -2.9035 -2.9035 -1.7789 -1.7789 8.3999 8.3999 8.8115 8.8115 13.5830 13.5830 13.7861 13.7861 15.6306 15.6306 k =-0.3594 0.3538 0.0000 ( 1070 PWs) bands (ev): -13.2017 -13.2017 -2.9446 -2.9446 -1.8322 -1.8322 8.2768 8.2768 8.9801 8.9801 13.6464 13.6464 13.9813 13.9813 15.4657 15.4657 k =-0.3672 0.3615 0.0000 ( 1070 PWs) bands (ev): -13.1830 -13.1830 -2.9834 -2.9834 -1.8826 -1.8826 8.1592 8.1592 9.1488 9.1488 13.6807 13.6807 14.2021 14.2021 15.3001 15.3001 k =-0.3750 0.3692 0.0000 ( 1070 PWs) bands (ev): -13.1651 -13.1651 -3.0200 -3.0200 -1.9302 -1.9302 8.0476 8.0476 9.3173 9.3173 13.7071 13.7071 14.4263 14.4263 15.1340 15.1340 k =-0.3828 0.3769 0.0000 ( 1070 PWs) bands (ev): -13.1480 -13.1480 -3.0542 -3.0542 -1.9749 -1.9749 7.9422 7.9422 9.4853 9.4853 13.7301 13.7301 14.6488 14.6488 14.9682 14.9682 k =-0.3906 0.3846 0.0000 ( 1070 PWs) bands (ev): -13.1317 -13.1317 -3.0862 -3.0862 -2.0167 -2.0167 7.8432 7.8432 9.6526 9.6526 13.7510 13.7510 14.7974 14.7974 14.8729 14.8729 k =-0.3984 0.3923 0.0000 ( 1074 PWs) bands (ev): -13.1164 -13.1164 -3.1159 -3.1159 -2.0557 -2.0557 7.7506 7.7506 9.8190 9.8190 13.7699 13.7699 14.6352 14.6352 15.0842 15.0842 k =-0.4062 0.4000 0.0000 ( 1070 PWs) bands (ev): -13.1020 -13.1020 -3.1433 -3.1433 -2.0918 -2.0918 7.6645 7.6645 9.9843 9.9843 13.7872 13.7872 14.4710 14.4710 15.2924 15.2924 k =-0.4141 0.4077 0.0000 ( 1070 PWs) bands (ev): -13.0885 -13.0885 -3.1685 -3.1685 -2.1250 -2.1250 7.5850 7.5850 10.1482 10.1482 13.8025 13.8025 14.3084 14.3084 15.4935 15.4935 k =-0.4219 0.4153 0.0000 ( 1070 PWs) bands (ev): -13.0761 -13.0761 -3.1915 -3.1915 -2.1553 -2.1553 7.5122 7.5122 10.3104 10.3104 13.8149 13.8149 14.1487 14.1487 15.6862 15.6862 k =-0.4297 0.4230 0.0000 ( 1074 PWs) bands (ev): -13.0648 -13.0648 -3.2122 -3.2122 -2.1828 -2.1828 7.4461 7.4461 10.4700 10.4700 13.8202 13.8202 13.9970 13.9970 15.8688 15.8688 k =-0.4375 0.4307 0.0000 ( 1078 PWs) bands (ev): -13.0546 -13.0546 -3.2307 -3.2307 -2.2074 -2.2074 7.3868 7.3868 10.6265 10.6265 13.7824 13.7824 13.8899 13.8899 16.0397 16.0397 k =-0.4453 0.4384 0.0000 ( 1082 PWs) bands (ev): -13.0455 -13.0455 -3.2472 -3.2472 -2.2291 -2.2291 7.3343 7.3343 10.7787 10.7787 13.6565 13.6565 13.8740 13.8740 16.1973 16.1973 k =-0.4531 0.4461 0.0000 ( 1084 PWs) bands (ev): -13.0376 -13.0376 -3.2614 -3.2614 -2.2479 -2.2479 7.2887 7.2887 10.9252 10.9252 13.5150 13.5150 13.8781 13.8781 16.3396 16.3396 k =-0.4609 0.4538 0.0000 ( 1084 PWs) bands (ev): -13.0308 -13.0308 -3.2734 -3.2734 -2.2638 -2.2638 7.2501 7.2501 11.0637 11.0637 13.3782 13.3782 13.8842 13.8842 16.4649 16.4649 k =-0.4688 0.4615 0.0000 ( 1088 PWs) bands (ev): -13.0253 -13.0253 -3.2831 -3.2831 -2.2768 -2.2768 7.2185 7.2185 11.1907 11.1907 13.2513 13.2513 13.8899 13.8899 16.5708 16.5708 k =-0.4766 0.4692 0.0000 ( 1088 PWs) bands (ev): -13.0211 -13.0211 -3.2907 -3.2907 -2.2869 -2.2869 7.1938 7.1938 11.3017 11.3017 13.1405 13.1405 13.8945 13.8945 16.6556 16.6556 k =-0.4844 0.4769 0.0000 ( 1088 PWs) bands (ev): -13.0179 -13.0179 -3.2961 -3.2961 -2.2942 -2.2942 7.1762 7.1762 11.3900 11.3900 13.0522 13.0522 13.8979 13.8979 16.7176 16.7176 k =-0.4922 0.4846 0.0000 ( 1088 PWs) bands (ev): -13.0161 -13.0161 -3.2994 -3.2994 -2.2985 -2.2985 7.1656 7.1656 11.4479 11.4479 12.9944 12.9944 13.9000 13.9000 16.7553 16.7553 k =-0.5000 0.4923 0.0000 ( 1088 PWs) bands (ev): -13.0154 -13.0154 -3.3005 -3.3005 -2.2999 -2.2999 7.1621 7.1621 11.4681 11.4681 12.9741 12.9741 13.9007 13.9007 16.7680 16.7680 k =-0.5000 0.4923 0.0000 ( 1088 PWs) bands (ev): -13.0154 -13.0154 -3.3005 -3.3005 -2.2999 -2.2999 7.1621 7.1621 11.4681 11.4681 12.9741 12.9741 13.9007 13.9007 16.7680 16.7680 k =-0.4923 0.5001-0.0000 ( 1088 PWs) bands (ev): -13.0160 -13.0160 -3.2991 -3.2991 -2.2991 -2.2991 7.1654 7.1654 11.4634 11.4634 12.9686 12.9686 13.9000 13.9000 16.7728 16.7728 k =-0.4923 0.5001-0.0000 ( 1088 PWs) bands (ev): -13.0160 -13.0160 -3.2991 -3.2991 -2.2991 -2.2991 7.1654 7.1654 11.4634 11.4634 12.9686 12.9686 13.9000 13.9000 16.7728 16.7728 k =-0.4923 0.5001 0.0111 ( 1088 PWs) bands (ev): -13.0151 -13.0151 -3.2976 -3.2976 -2.2978 -2.2978 7.1668 7.1668 11.4262 11.4262 12.9670 12.9670 13.9368 13.9368 16.7709 16.7709 k =-0.4923 0.5001 0.0222 ( 1088 PWs) bands (ev): -13.0125 -13.0125 -3.2934 -3.2934 -2.2939 -2.2939 7.1710 7.1710 11.3208 11.3208 12.9616 12.9616 14.0410 14.0410 16.7652 16.7652 k =-0.4923 0.5001 0.0333 ( 1090 PWs) bands (ev): -13.0083 -13.0083 -3.2862 -3.2862 -2.2875 -2.2875 7.1781 7.1781 11.1616 11.1616 12.9520 12.9520 14.1986 14.1986 16.7556 16.7556 k =-0.4923 0.5001 0.0444 ( 1090 PWs) bands (ev): -13.0022 -13.0022 -3.2763 -3.2763 -2.2785 -2.2785 7.1879 7.1879 10.9639 10.9639 12.9382 12.9382 14.3946 14.3946 16.7419 16.7419 k =-0.4923 0.5001 0.0555 ( 1090 PWs) bands (ev): -12.9945 -12.9945 -3.2635 -3.2635 -2.2670 -2.2670 7.2004 7.2004 10.7399 10.7399 12.9197 12.9197 14.6168 14.6168 16.7237 16.7237 k =-0.4923 0.5001 0.0666 ( 1090 PWs) bands (ev): -12.9851 -12.9851 -3.2478 -3.2478 -2.2528 -2.2528 7.2156 7.2156 10.4981 10.4981 12.8964 12.8964 14.8563 14.8563 16.7006 16.7006 k =-0.4923 0.5001 0.0777 ( 1088 PWs) bands (ev): -12.9740 -12.9740 -3.2293 -3.2293 -2.2362 -2.2362 7.2335 7.2335 10.2446 10.2446 12.8681 12.8681 15.1073 15.1073 16.6723 16.6723 k =-0.4923 0.5001 0.0888 ( 1086 PWs) bands (ev): -12.9612 -12.9612 -3.2080 -3.2080 -2.2170 -2.2170 7.2539 7.2539 9.9834 9.9834 12.8348 12.8348 15.3654 15.3654 16.6384 16.6384 k =-0.4923 0.5001 0.0999 ( 1086 PWs) bands (ev): -12.9468 -12.9468 -3.1839 -3.1839 -2.1952 -2.1952 7.2766 7.2766 9.7171 9.7171 12.7959 12.7959 15.6272 15.6272 16.5986 16.5986 k =-0.4923 0.5001 0.1110 ( 1082 PWs) bands (ev): -12.9307 -12.9307 -3.1569 -3.1569 -2.1710 -2.1710 7.3015 7.3015 9.4481 9.4481 12.7515 12.7515 15.8892 15.8892 16.5539 16.5539 k =-0.4923 0.5001 0.1221 ( 1078 PWs) bands (ev): -12.9130 -12.9130 -3.1271 -3.1271 -2.1442 -2.1442 7.3280 7.3280 9.1782 9.1782 12.7010 12.7010 16.1420 16.1420 16.5112 16.5112 k =-0.4923 0.5001 0.1332 ( 1080 PWs) bands (ev): -12.8937 -12.8937 -3.0946 -3.0946 -2.1150 -2.1150 7.3554 7.3554 8.9090 8.9090 12.6441 12.6441 16.3189 16.3189 16.5350 16.5350 k =-0.4923 0.5001 0.1443 ( 1076 PWs) bands (ev): -12.8727 -12.8727 -3.0593 -3.0593 -2.0833 -2.0833 7.3822 7.3822 8.6430 8.6430 12.5807 12.5807 16.3023 16.3023 16.7416 16.7416 k =-0.4923 0.5001 0.1554 ( 1076 PWs) bands (ev): -12.8503 -12.8503 -3.0212 -3.0212 -2.0492 -2.0492 7.4050 7.4050 8.3840 8.3840 12.5103 12.5103 16.2250 16.2250 16.9964 16.9964 k =-0.4923 0.5001 0.1665 ( 1076 PWs) bands (ev): -12.8263 -12.8263 -2.9804 -2.9804 -2.0126 -2.0126 7.4157 7.4157 8.1408 8.1408 12.4328 12.4328 16.1282 16.1282 17.2571 17.2571 k =-0.4923 0.5001 0.1776 ( 1074 PWs) bands (ev): -12.8007 -12.8007 -2.9367 -2.9367 -1.9737 -1.9737 7.3918 7.3918 7.9363 7.9363 12.3479 12.3479 16.0171 16.0171 17.5175 17.5175 k =-0.4923 0.5001 0.1887 ( 1074 PWs) bands (ev): -12.7736 -12.7736 -2.8904 -2.8904 -1.9324 -1.9324 7.2903 7.2903 7.8137 7.8137 12.2554 12.2554 15.8928 15.8928 17.7760 17.7760 k =-0.4923 0.5001 0.1998 ( 1076 PWs) bands (ev): -12.7451 -12.7451 -2.8414 -2.8414 -1.8888 -1.8888 7.1030 7.1030 7.7817 7.7817 12.1553 12.1553 15.7559 15.7559 18.0313 18.0313 k =-0.4923 0.5001 0.2108 ( 1076 PWs) bands (ev): -12.7151 -12.7151 -2.7898 -2.7898 -1.8429 -1.8429 6.8718 6.8718 7.7986 7.7986 12.0474 12.0474 15.6070 15.6070 18.2827 18.2827 k =-0.4923 0.5001 0.2219 ( 1078 PWs) bands (ev): -12.6838 -12.6838 -2.7355 -2.7355 -1.7947 -1.7947 6.6245 6.6245 7.8368 7.8368 11.9318 11.9318 15.4469 15.4469 18.5291 18.5291 k =-0.4923 0.5001 0.2330 ( 1078 PWs) bands (ev): -12.6511 -12.6511 -2.6787 -2.6787 -1.7443 -1.7443 6.3716 6.3716 7.8860 7.8860 11.8086 11.8086 15.2766 15.2766 18.7689 18.7689 k =-0.4923 0.5001 0.2441 ( 1076 PWs) bands (ev): -12.6170 -12.6170 -2.6191 -2.6191 -1.6918 -1.6918 6.1173 6.1173 7.9423 7.9423 11.6781 11.6781 15.0970 15.0970 18.9970 18.9970 k =-0.4923 0.5001 0.2552 ( 1080 PWs) bands (ev): -12.5817 -12.5817 -2.5571 -2.5571 -1.6371 -1.6371 5.8636 5.8636 8.0039 8.0039 11.5403 11.5403 14.9092 14.9092 19.1826 19.1826 k =-0.4923 0.5001 0.2663 ( 1082 PWs) bands (ev): -12.5452 -12.5452 -2.4925 -2.4925 -1.5803 -1.5803 5.6116 5.6116 8.0698 8.0698 11.3957 11.3957 14.7144 14.7144 19.2046 19.2046 k =-0.4923 0.5001 0.2774 ( 1082 PWs) bands (ev): -12.5074 -12.5074 -2.4255 -2.4255 -1.5215 -1.5215 5.3619 5.3619 8.1396 8.1396 11.2447 11.2447 14.5137 14.5137 19.1600 19.1600 k =-0.4923 0.5001 0.2885 ( 1079 PWs) bands (ev): -12.4685 -12.4685 -2.3560 -2.3560 -1.4607 -1.4607 5.1149 5.1149 8.2129 8.2129 11.0876 11.0876 14.3082 14.3082 19.1170 19.1170 k =-0.4923 0.5001 0.2996 ( 1079 PWs) bands (ev): -12.4286 -12.4286 -2.2841 -2.2841 -1.3980 -1.3980 4.8712 4.8712 8.2897 8.2897 10.9250 10.9250 14.0988 14.0988 19.0825 19.0825 k =-0.4923 0.5001 0.3107 ( 1077 PWs) bands (ev): -12.3876 -12.3876 -2.2098 -2.2098 -1.3335 -1.3335 4.6308 4.6308 8.3697 8.3697 10.7573 10.7573 13.8866 13.8866 19.0576 19.0576 k =-0.4923 0.5001 0.3218 ( 1077 PWs) bands (ev): -12.3457 -12.3457 -2.1333 -2.1333 -1.2673 -1.2673 4.3941 4.3941 8.4528 8.4528 10.5851 10.5851 13.6723 13.6723 19.0424 19.0424 k =-0.4923 0.5001 0.3329 ( 1076 PWs) bands (ev): -12.3030 -12.3030 -2.0546 -2.0546 -1.1993 -1.1993 4.1613 4.1613 8.5391 8.5391 10.4090 10.4090 13.4567 13.4567 19.0366 19.0366 k =-0.4923 0.5001 0.3440 ( 1082 PWs) bands (ev): -12.2595 -12.2595 -1.9737 -1.9737 -1.1298 -1.1298 3.9326 3.9326 8.6283 8.6283 10.2292 10.2292 13.2406 13.2406 19.0398 19.0398 k =-0.4923 0.5001 0.3551 ( 1084 PWs) bands (ev): -12.2152 -12.2152 -1.8906 -1.8906 -1.0589 -1.0589 3.7081 3.7081 8.7206 8.7206 10.0467 10.0467 13.0245 13.0245 19.0517 19.0517 k =-0.4923 0.5001 0.3662 ( 1086 PWs) bands (ev): -12.1704 -12.1704 -1.8056 -1.8056 -0.9866 -0.9866 3.4881 3.4881 8.8158 8.8158 9.8616 9.8616 12.8091 12.8091 19.0719 19.0719 k =-0.4923 0.5001 0.3773 ( 1088 PWs) bands (ev): -12.1250 -12.1250 -1.7186 -1.7186 -0.9130 -0.9130 3.2727 3.2727 8.9139 8.9139 9.6747 9.6747 12.5949 12.5949 19.0998 19.0998 k =-0.4923 0.5001 0.3884 ( 1092 PWs) bands (ev): -12.0792 -12.0792 -1.6298 -1.6298 -0.8383 -0.8383 3.0621 3.0621 9.0149 9.0149 9.4864 9.4864 12.3824 12.3824 19.1352 19.1352 k =-0.4923 0.5001 0.3995 ( 1094 PWs) bands (ev): -12.0331 -12.0331 -1.5393 -1.5393 -0.7626 -0.7626 2.8566 2.8566 9.1187 9.1187 9.2973 9.2973 12.1720 12.1720 19.1776 19.1776 k =-0.4923 0.5001 0.4106 ( 1092 PWs) bands (ev): -11.9867 -11.9867 -1.4471 -1.4471 -0.6860 -0.6860 2.6562 2.6562 9.1077 9.1077 9.2254 9.2254 11.9642 11.9642 19.2264 19.2264 k =-0.4923 0.5001 0.4217 ( 1090 PWs) bands (ev): -11.9402 -11.9402 -1.3534 -1.3534 -0.6088 -0.6088 2.4612 2.4612 8.9182 8.9182 9.3348 9.3348 11.7593 11.7593 19.1013 19.1013 k =-0.4923 0.5001 0.4328 ( 1092 PWs) bands (ev): -11.8938 -11.8938 -1.2584 -1.2584 -0.5311 -0.5311 2.2717 2.2717 8.7291 8.7291 9.4469 9.4469 11.5578 11.5578 18.8415 18.8415 k =-0.4923 0.5001 0.4439 ( 1090 PWs) bands (ev): -11.8475 -11.8475 -1.1622 -1.1622 -0.4531 -0.4531 2.0880 2.0880 8.5410 8.5410 9.5617 9.5617 11.3601 11.3601 18.5848 18.5848 k =-0.4923 0.5001 0.4550 ( 1088 PWs) bands (ev): -11.8015 -11.8015 -1.0651 -1.0651 -0.3751 -0.3751 1.9102 1.9102 8.3543 8.3543 9.6790 9.6790 11.1665 11.1665 18.3315 18.3315 k =-0.4923 0.5001 0.4661 ( 1090 PWs) bands (ev): -11.7559 -11.7559 -0.9671 -0.9671 -0.2972 -0.2972 1.7386 1.7386 8.1694 8.1694 9.7989 9.7989 10.9774 10.9774 18.0816 18.0816 k =-0.4923 0.5001 0.4772 ( 1090 PWs) bands (ev): -11.7109 -11.7109 -0.8686 -0.8686 -0.2198 -0.2198 1.5734 1.5734 7.9867 7.9867 9.9211 9.9211 10.7933 10.7933 17.8352 17.8352 k =-0.4923 0.5001 0.4883 ( 1094 PWs) bands (ev): -11.6667 -11.6667 -0.7697 -0.7697 -0.1432 -0.1432 1.4149 1.4149 7.8068 7.8068 10.0454 10.0454 10.6147 10.6147 17.5924 17.5924 k =-0.4923 0.5001 0.4994 ( 1099 PWs) bands (ev): -11.6233 -11.6233 -0.6708 -0.6708 -0.0678 -0.0678 1.2633 1.2633 7.6300 7.6300 10.1704 10.1704 10.4432 10.4432 17.3533 17.3533 k =-0.4923 0.5001 0.5105 ( 1099 PWs) bands (ev): -11.5810 -11.5810 -0.5722 -0.5722 0.0060 0.0060 1.1191 1.1191 7.4570 7.4570 10.2496 10.2496 10.3256 10.3256 17.1180 17.1180 k =-0.4923 0.5001 0.5216 ( 1100 PWs) bands (ev): -11.5398 -11.5398 -0.4742 -0.4742 0.0775 0.0775 0.9827 0.9827 7.2881 7.2881 10.1059 10.1059 10.4393 10.4393 16.8867 16.8867 k =-0.4923 0.5001 0.5327 ( 1100 PWs) bands (ev): -11.5001 -11.5001 -0.3773 -0.3773 0.1458 0.1458 0.8552 0.8552 7.1239 7.1239 9.9528 9.9528 10.5711 10.5711 16.6596 16.6596 k =-0.4923 0.5001 0.5438 ( 1100 PWs) bands (ev): -11.4618 -11.4618 -0.2819 -0.2819 0.2089 0.2089 0.7381 0.7381 6.9650 6.9650 9.8057 9.8057 10.7056 10.7056 16.4369 16.4369 k =-0.4923 0.5001 0.5549 ( 1100 PWs) bands (ev): -11.4253 -11.4253 -0.1884 -0.1884 0.2628 0.2628 0.6356 0.6356 6.8119 6.8119 9.6658 9.6658 10.8418 10.8418 16.2188 16.2188 k =-0.4923 0.5001 0.5660 ( 1100 PWs) bands (ev): -11.3906 -11.3906 -0.0976 -0.0976 0.2960 0.2960 0.5587 0.5587 6.6654 6.6654 9.5338 9.5338 10.9791 10.9791 16.0057 16.0057 k =-0.4923 0.5001 0.5771 ( 1099 PWs) bands (ev): -11.3579 -11.3579 -0.0101 -0.0101 0.2867 0.2867 0.5294 0.5294 6.5260 6.5260 9.4102 9.4102 11.1170 11.1170 15.7981 15.7981 k =-0.4923 0.5001 0.5882 ( 1096 PWs) bands (ev): -11.3275 -11.3275 0.0728 0.0728 0.2357 0.2357 0.5471 0.5471 6.3947 6.3947 9.2953 9.2953 11.2550 11.2550 15.5966 15.5966 k =-0.4923 0.5001 0.5993 ( 1092 PWs) bands (ev): -11.2994 -11.2994 0.1392 0.1392 0.1814 0.1814 0.5845 0.5845 6.2721 6.2721 9.1897 9.1897 11.3922 11.3922 15.4019 15.4019 k =-0.4923 0.5001 0.6104 ( 1088 PWs) bands (ev): -11.2738 -11.2738 0.0946 0.0946 0.2324 0.2324 0.6262 0.6262 6.1591 6.1591 9.0938 9.0938 11.5276 11.5276 15.2150 15.2150 k =-0.4923 0.5001 0.6215 ( 1088 PWs) bands (ev): -11.2509 -11.2509 0.0332 0.0332 0.2992 0.2992 0.6669 0.6669 6.0565 6.0565 9.0080 9.0080 11.6598 11.6598 15.0374 15.0374 k =-0.4923 0.5001 0.6325 ( 1090 PWs) bands (ev): -11.2308 -11.2308 -0.0224 -0.0224 0.3600 0.3600 0.7043 0.7043 5.9652 5.9652 8.9327 8.9327 11.7870 11.7870 14.8709 14.8709 k =-0.4923 0.5001 0.6436 ( 1092 PWs) bands (ev): -11.2135 -11.2135 -0.0704 -0.0704 0.4134 0.4134 0.7373 0.7373 5.8862 5.8862 8.8683 8.8683 11.9065 11.9065 14.7182 14.7182 k =-0.4923 0.5001 0.6547 ( 1092 PWs) bands (ev): -11.1993 -11.1993 -0.1102 -0.1102 0.4584 0.4584 0.7651 0.7651 5.8201 5.8201 8.8151 8.8151 12.0150 12.0150 14.5824 14.5824 k =-0.4923 0.5001 0.6658 ( 1092 PWs) bands (ev): -11.1881 -11.1881 -0.1414 -0.1414 0.4942 0.4942 0.7872 0.7872 5.7679 5.7679 8.7734 8.7734 12.1080 12.1080 14.4682 14.4682 k =-0.4923 0.5001 0.6769 ( 1092 PWs) bands (ev): -11.1801 -11.1801 -0.1638 -0.1638 0.5203 0.5203 0.8032 0.8032 5.7301 5.7301 8.7435 8.7435 12.1805 12.1805 14.3806 14.3806 k =-0.4923 0.5001 0.6880 ( 1090 PWs) bands (ev): -11.1752 -11.1752 -0.1773 -0.1773 0.5361 0.5361 0.8130 0.8130 5.7072 5.7072 8.7254 8.7254 12.2269 12.2269 14.3251 14.3251 k =-0.4923 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.1736 -11.1736 -0.1818 -0.1818 0.5414 0.5414 0.8162 0.8162 5.6995 5.6995 8.7194 8.7194 12.2429 12.2429 14.3061 14.3061 k =-0.4923 0.5001 0.6991 ( 1092 PWs) bands (ev): -11.1736 -11.1736 -0.1818 -0.1818 0.5414 0.5414 0.8162 0.8162 5.6995 5.6995 8.7194 8.7194 12.2429 12.2429 14.3061 14.3061 k =-0.5000 0.4923 0.6991 ( 1088 PWs) bands (ev): -11.1733 -11.1733 -0.1651 -0.1651 0.5395 0.5395 0.7991 0.7991 5.6985 5.6985 8.7199 8.7199 12.2397 12.2397 14.3014 14.3014 k =-0.5000 0.4923 0.6991 ( 1088 PWs) bands (ev): -11.1733 -11.1733 -0.1651 -0.1651 0.5395 0.5395 0.7991 0.7991 5.6985 5.6985 8.7199 8.7199 12.2397 12.2397 14.3014 14.3014 k =-0.5000 0.4923 0.6880 ( 1092 PWs) bands (ev): -11.1750 -11.1750 -0.1605 -0.1605 0.5342 0.5342 0.7957 0.7957 5.7061 5.7061 8.7259 8.7259 12.2236 12.2236 14.3205 14.3205 k =-0.5000 0.4923 0.6769 ( 1092 PWs) bands (ev): -11.1799 -11.1799 -0.1466 -0.1466 0.5184 0.5184 0.7856 0.7856 5.7290 5.7290 8.7440 8.7440 12.1772 12.1772 14.3760 14.3760 k =-0.5000 0.4923 0.6658 ( 1092 PWs) bands (ev): -11.1879 -11.1879 -0.1236 -0.1236 0.4923 0.4923 0.7689 0.7689 5.7668 5.7668 8.7739 8.7739 12.1047 12.1047 14.4636 14.4636 k =-0.5000 0.4923 0.6547 ( 1092 PWs) bands (ev): -11.1991 -11.1991 -0.0914 -0.0914 0.4565 0.4565 0.7459 0.7459 5.8191 5.8191 8.8156 8.8156 12.0115 12.0115 14.5780 14.5780 k =-0.5000 0.4923 0.6436 ( 1092 PWs) bands (ev): -11.2134 -11.2134 -0.0502 -0.0502 0.4115 0.4115 0.7167 0.7167 5.8851 5.8851 8.8688 8.8688 11.9029 11.9029 14.7137 14.7137 k =-0.5000 0.4923 0.6325 ( 1092 PWs) bands (ev): -11.2306 -11.2306 -0.0000 -0.0000 0.3581 0.3581 0.6816 0.6816 5.9642 5.9642 8.9332 8.9332 11.7834 11.7834 14.8666 14.8666 k =-0.5000 0.4923 0.6215 ( 1088 PWs) bands (ev): -11.2507 -11.2507 0.0587 0.0587 0.2972 0.2972 0.6411 0.6411 6.0554 6.0554 9.0085 9.0085 11.6561 11.6561 15.0331 15.0331 k =-0.5000 0.4923 0.6104 ( 1088 PWs) bands (ev): -11.2736 -11.2736 0.1250 0.1250 0.2306 0.2306 0.5955 0.5955 6.1580 6.1580 9.0943 9.0943 11.5238 11.5238 15.2108 15.2108 k =-0.5000 0.4923 0.5993 ( 1090 PWs) bands (ev): -11.2992 -11.2992 0.1482 0.1482 0.2094 0.2094 0.5453 0.5453 6.2711 6.2711 9.1903 9.1903 11.3883 11.3883 15.3977 15.3977 k =-0.5000 0.4923 0.5882 ( 1094 PWs) bands (ev): -11.3272 -11.3272 0.0724 0.0724 0.2900 0.2900 0.4910 0.4910 6.3937 6.3937 9.2959 9.2959 11.2510 11.2510 15.5924 15.5924 k =-0.5000 0.4923 0.5771 ( 1098 PWs) bands (ev): -11.3577 -11.3577 -0.0111 -0.0111 0.3783 0.3783 0.4366 0.4366 6.5250 6.5250 9.4108 9.4108 11.1129 11.1129 15.7940 15.7940 k =-0.5000 0.4923 0.5660 ( 1100 PWs) bands (ev): -11.3903 -11.3903 -0.0988 -0.0988 0.3654 0.3654 0.4883 0.4883 6.6644 6.6644 9.5345 9.5345 10.9748 10.9748 16.0017 16.0017 k =-0.5000 0.4923 0.5549 ( 1100 PWs) bands (ev): -11.4250 -11.4250 -0.1897 -0.1897 0.3014 0.3014 0.5961 0.5961 6.8109 6.8109 9.6667 9.6667 10.8373 10.8373 16.2148 16.2148 k =-0.5000 0.4923 0.5438 ( 1100 PWs) bands (ev): -11.4615 -11.4615 -0.2832 -0.2832 0.2335 0.2335 0.7128 0.7128 6.9640 6.9640 9.8067 9.8067 10.7008 10.7008 16.4329 16.4329 k =-0.5000 0.4923 0.5327 ( 1100 PWs) bands (ev): -11.4998 -11.4998 -0.3786 -0.3786 0.1629 0.1629 0.8374 0.8374 7.1230 7.1230 9.9544 9.9544 10.5657 10.5657 16.6557 16.6557 k =-0.5000 0.4923 0.5216 ( 1100 PWs) bands (ev): -11.5396 -11.5396 -0.4756 -0.4756 0.0902 0.0902 0.9695 0.9695 7.2872 7.2872 10.1091 10.1091 10.4323 10.4323 16.8829 16.8829 k =-0.5000 0.4923 0.5105 ( 1100 PWs) bands (ev): -11.5807 -11.5807 -0.5736 -0.5736 0.0157 0.0157 1.1087 1.1087 7.4561 7.4561 10.2706 10.2706 10.3007 10.3007 17.1142 17.1142 k =-0.5000 0.4923 0.4994 ( 1100 PWs) bands (ev): -11.6230 -11.6230 -0.6722 -0.6722 -0.0602 -0.0602 1.2551 1.2551 7.6292 7.6292 10.1712 10.1712 10.4385 10.4385 17.3495 17.3495 k =-0.5000 0.4923 0.4883 ( 1096 PWs) bands (ev): -11.6664 -11.6664 -0.7711 -0.7711 -0.1371 -0.1371 1.4082 1.4082 7.8060 7.8060 10.0439 10.0439 10.6122 10.6122 17.5887 17.5887 k =-0.5000 0.4923 0.4772 ( 1092 PWs) bands (ev): -11.7106 -11.7106 -0.8700 -0.8700 -0.2149 -0.2149 1.5679 1.5679 7.9860 7.9860 9.9189 9.9189 10.7915 10.7915 17.8315 17.8315 k =-0.5000 0.4923 0.4661 ( 1088 PWs) bands (ev): -11.7556 -11.7556 -0.9685 -0.9685 -0.2931 -0.2931 1.7341 1.7341 8.1687 8.1687 9.7963 9.7963 10.9759 10.9759 18.0780 18.0780 k =-0.5000 0.4923 0.4550 ( 1088 PWs) bands (ev): -11.8012 -11.8012 -1.0664 -1.0664 -0.3717 -0.3717 1.9064 1.9064 8.3536 8.3536 9.6762 9.6762 11.1652 11.1652 18.3281 18.3281 k =-0.5000 0.4923 0.4439 ( 1088 PWs) bands (ev): -11.8471 -11.8471 -1.1636 -1.1636 -0.4503 -0.4503 2.0848 2.0848 8.5404 8.5404 9.5587 9.5587 11.3588 11.3588 18.5815 18.5815 k =-0.5000 0.4923 0.4328 ( 1092 PWs) bands (ev): -11.8934 -11.8934 -1.2598 -1.2598 -0.5288 -0.5288 2.2690 2.2690 8.7285 8.7285 9.4438 9.4438 11.5566 11.5566 18.8384 18.8384 k =-0.5000 0.4923 0.4217 ( 1090 PWs) bands (ev): -11.9398 -11.9398 -1.3548 -1.3548 -0.6069 -0.6069 2.4589 2.4589 8.9177 8.9177 9.3316 9.3316 11.7581 11.7581 19.0985 19.0985 k =-0.5000 0.4923 0.4106 ( 1094 PWs) bands (ev): -11.9863 -11.9863 -1.4485 -1.4485 -0.6845 -0.6845 2.6543 2.6543 9.1073 9.1073 9.2222 9.2222 11.9630 11.9630 19.2396 19.2396 k =-0.5000 0.4923 0.3995 ( 1094 PWs) bands (ev): -12.0327 -12.0327 -1.5406 -1.5406 -0.7613 -0.7613 2.8550 2.8550 9.1155 9.1155 9.2969 9.2969 12.1708 12.1708 19.1906 19.1906 k =-0.5000 0.4923 0.3884 ( 1094 PWs) bands (ev): -12.0788 -12.0788 -1.6312 -1.6312 -0.8373 -0.8373 3.0608 3.0608 9.0116 9.0116 9.4862 9.4862 12.3811 12.3811 19.1482 19.1482 k =-0.5000 0.4923 0.3773 ( 1090 PWs) bands (ev): -12.1246 -12.1246 -1.7200 -1.7200 -0.9122 -0.9122 3.2716 3.2716 8.9106 8.9106 9.6745 9.6745 12.5937 12.5937 19.1127 19.1127 k =-0.5000 0.4923 0.3662 ( 1090 PWs) bands (ev): -12.1700 -12.1700 -1.8070 -1.8070 -0.9859 -0.9859 3.4872 3.4872 8.8124 8.8124 9.8615 9.8615 12.8078 12.8078 19.0847 19.0847 k =-0.5000 0.4923 0.3551 ( 1082 PWs) bands (ev): -12.2147 -12.2147 -1.8920 -1.8920 -1.0584 -1.0584 3.7075 3.7075 8.7172 8.7172 10.0467 10.0467 13.0233 13.0233 19.0645 19.0645 k =-0.5000 0.4923 0.3440 ( 1082 PWs) bands (ev): -12.2590 -12.2590 -1.9750 -1.9750 -1.1295 -1.1295 3.9321 3.9321 8.6249 8.6249 10.2294 10.2294 13.2393 13.2393 19.0525 19.0525 k =-0.5000 0.4923 0.3329 ( 1074 PWs) bands (ev): -12.3025 -12.3025 -2.0559 -2.0559 -1.1991 -1.1991 4.1610 4.1610 8.5356 8.5356 10.4093 10.4093 13.4554 13.4554 19.0492 19.0492 k =-0.5000 0.4923 0.3218 ( 1074 PWs) bands (ev): -12.3452 -12.3452 -2.1347 -2.1347 -1.2671 -1.2671 4.3940 4.3940 8.4493 8.4493 10.5856 10.5856 13.6710 13.6710 19.0549 19.0549 k =-0.5000 0.4923 0.3107 ( 1078 PWs) bands (ev): -12.3872 -12.3872 -2.2112 -2.2112 -1.3335 -1.3335 4.6308 4.6308 8.3662 8.3662 10.7580 10.7580 13.8852 13.8852 19.0701 19.0701 k =-0.5000 0.4923 0.2996 ( 1080 PWs) bands (ev): -12.4281 -12.4281 -2.2855 -2.2855 -1.3981 -1.3981 4.8713 4.8713 8.2861 8.2861 10.9258 10.9258 14.0975 14.0975 19.0950 19.0950 k =-0.5000 0.4923 0.2885 ( 1080 PWs) bands (ev): -12.4681 -12.4681 -2.3574 -2.3574 -1.4609 -1.4609 5.1152 5.1152 8.2094 8.2094 11.0886 11.0886 14.3068 14.3068 19.1296 19.1296 k =-0.5000 0.4923 0.2774 ( 1080 PWs) bands (ev): -12.5069 -12.5069 -2.4268 -2.4268 -1.5217 -1.5217 5.3623 5.3623 8.1360 8.1360 11.2458 11.2458 14.5124 14.5124 19.1731 19.1731 k =-0.5000 0.4923 0.2663 ( 1080 PWs) bands (ev): -12.5447 -12.5447 -2.4939 -2.4939 -1.5806 -1.5806 5.6121 5.6121 8.0662 8.0662 11.3971 11.3971 14.7131 14.7131 19.2198 19.2198 k =-0.5000 0.4923 0.2552 ( 1080 PWs) bands (ev): -12.5812 -12.5812 -2.5585 -2.5585 -1.6374 -1.6374 5.8643 5.8643 8.0002 8.0002 11.5419 11.5419 14.9080 14.9080 19.2104 19.2104 k =-0.5000 0.4923 0.2441 ( 1080 PWs) bands (ev): -12.6165 -12.6165 -2.6206 -2.6206 -1.6922 -1.6922 6.1181 6.1181 7.9386 7.9386 11.6799 11.6799 15.0958 15.0958 19.0233 19.0233 k =-0.5000 0.4923 0.2330 ( 1076 PWs) bands (ev): -12.6505 -12.6505 -2.6800 -2.6800 -1.7448 -1.7448 6.3726 6.3726 7.8823 7.8823 11.8108 11.8108 15.2757 15.2757 18.7888 18.7888 k =-0.5000 0.4923 0.2219 ( 1076 PWs) bands (ev): -12.6832 -12.6832 -2.7369 -2.7369 -1.7952 -1.7952 6.6256 6.6256 7.8330 7.8330 11.9342 11.9342 15.4462 15.4462 18.5441 18.5441 k =-0.5000 0.4923 0.2108 ( 1076 PWs) bands (ev): -12.7146 -12.7146 -2.7912 -2.7912 -1.8435 -1.8435 6.8730 6.8730 7.7948 7.7948 12.0500 12.0500 15.6066 15.6066 18.2939 18.2939 k =-0.5000 0.4923 0.1998 ( 1076 PWs) bands (ev): -12.7445 -12.7445 -2.8428 -2.8428 -1.8894 -1.8894 7.1040 7.1040 7.7782 7.7782 12.1581 12.1581 15.7559 15.7559 18.0394 18.0394 k =-0.5000 0.4923 0.1887 ( 1074 PWs) bands (ev): -12.7730 -12.7730 -2.8918 -2.8918 -1.9331 -1.9331 7.2908 7.2908 7.8109 7.8109 12.2585 12.2585 15.8936 15.8936 17.7814 17.7814 k =-0.5000 0.4923 0.1776 ( 1076 PWs) bands (ev): -12.8002 -12.8002 -2.9382 -2.9382 -1.9744 -1.9744 7.3909 7.3909 7.9349 7.9349 12.3512 12.3512 16.0190 16.0190 17.5202 17.5202 k =-0.5000 0.4923 0.1665 ( 1076 PWs) bands (ev): -12.8257 -12.8257 -2.9818 -2.9818 -2.0133 -2.0133 7.4137 7.4137 8.1407 8.1407 12.4363 12.4363 16.1318 16.1318 17.2567 17.2567 k =-0.5000 0.4923 0.1554 ( 1076 PWs) bands (ev): -12.8497 -12.8497 -3.0226 -3.0226 -2.0499 -2.0499 7.4025 7.4025 8.3845 8.3845 12.5141 12.5141 16.2319 16.2319 16.9918 16.9918 k =-0.5000 0.4923 0.1443 ( 1076 PWs) bands (ev): -12.8722 -12.8722 -3.0607 -3.0607 -2.0840 -2.0840 7.3794 7.3794 8.6439 8.6439 12.5847 12.5847 16.3176 16.3176 16.7277 16.7277 k =-0.5000 0.4923 0.1332 ( 1080 PWs) bands (ev): -12.8931 -12.8931 -3.0960 -3.0960 -2.1158 -2.1158 7.3524 7.3524 8.9102 8.9102 12.6483 12.6483 16.3626 16.3626 16.4920 16.4920 k =-0.5000 0.4923 0.1221 ( 1080 PWs) bands (ev): -12.9124 -12.9124 -3.1285 -3.1285 -2.1450 -2.1450 7.3249 7.3249 9.1796 9.1796 12.7054 12.7054 16.1666 16.1666 16.4866 16.4866 k =-0.5000 0.4923 0.1110 ( 1080 PWs) bands (ev): -12.9300 -12.9300 -3.1583 -3.1583 -2.1718 -2.1718 7.2984 7.2984 9.4499 9.4499 12.7561 12.7561 15.9032 15.9032 16.5396 16.5396 k =-0.5000 0.4923 0.0999 ( 1088 PWs) bands (ev): -12.9462 -12.9462 -3.1853 -3.1853 -2.1961 -2.1961 7.2735 7.2735 9.7191 9.7191 12.8008 12.8008 15.6369 15.6369 16.5881 16.5881 k =-0.5000 0.4923 0.0888 ( 1092 PWs) bands (ev): -12.9607 -12.9607 -3.2094 -3.2094 -2.2178 -2.2178 7.2507 7.2507 9.9856 9.9856 12.8396 12.8396 15.3726 15.3726 16.6299 16.6299 k =-0.5000 0.4923 0.0777 ( 1088 PWs) bands (ev): -12.9734 -12.9734 -3.2307 -3.2307 -2.2370 -2.2370 7.2303 7.2303 10.2472 10.2472 12.8732 12.8732 15.1129 15.1129 16.6651 16.6651 k =-0.5000 0.4923 0.0666 ( 1084 PWs) bands (ev): -12.9844 -12.9844 -3.2492 -3.2492 -2.2536 -2.2536 7.2124 7.2124 10.5010 10.5010 12.9016 12.9016 14.8609 14.8609 16.6943 16.6943 k =-0.5000 0.4923 0.0555 ( 1092 PWs) bands (ev): -12.9940 -12.9940 -3.2649 -3.2649 -2.2678 -2.2678 7.1971 7.1971 10.7430 10.7430 12.9249 12.9249 14.6201 14.6201 16.7177 16.7177 k =-0.5000 0.4923 0.0444 ( 1092 PWs) bands (ev): -13.0016 -13.0016 -3.2777 -3.2777 -2.2794 -2.2794 7.1846 7.1846 10.9674 10.9674 12.9435 12.9435 14.3972 14.3972 16.7363 16.7363 k =-0.5000 0.4923 0.0333 ( 1088 PWs) bands (ev): -13.0076 -13.0076 -3.2876 -3.2876 -2.2884 -2.2884 7.1747 7.1747 11.1655 11.1655 12.9575 12.9575 14.2005 14.2005 16.7504 16.7504 k =-0.5000 0.4923 0.0222 ( 1084 PWs) bands (ev): -13.0119 -13.0119 -3.2947 -3.2947 -2.2948 -2.2948 7.1677 7.1677 11.3252 11.3252 12.9671 12.9671 14.0423 14.0423 16.7604 16.7604 k =-0.5000 0.4923 0.0111 ( 1088 PWs) bands (ev): -13.0146 -13.0146 -3.2990 -3.2990 -2.2987 -2.2987 7.1635 7.1635 11.4308 11.4308 12.9724 12.9724 13.9376 13.9376 16.7661 16.7661 k =-0.5000 0.4923 0.0000 ( 1088 PWs) bands (ev): -13.0154 -13.0154 -3.3005 -3.3005 -2.2999 -2.2999 7.1621 7.1621 11.4681 11.4681 12.9741 12.9741 13.9007 13.9007 16.7680 16.7680 k = 0.0000 0.0000 0.6991 ( 1102 PWs) bands (ev): -11.4740 -11.4740 -4.4402 -4.4402 4.9883 4.9883 8.3992 8.3992 8.7550 8.7550 9.1609 9.1609 10.9266 10.9266 11.9273 11.9273 k =-0.0078 0.0077 0.6991 ( 1098 PWs) bands (ev): -11.4738 -11.4738 -4.4389 -4.4389 4.9814 4.9814 8.3921 8.3921 8.7461 8.7461 9.1683 9.1683 10.9366 10.9366 11.9396 11.9396 k =-0.0156 0.0154 0.6991 ( 1098 PWs) bands (ev): -11.4732 -11.4732 -4.4353 -4.4353 4.9609 4.9609 8.3711 8.3711 8.7190 8.7190 9.1915 9.1915 10.9660 10.9660 11.9761 11.9761 k =-0.0234 0.0231 0.6991 ( 1098 PWs) bands (ev): -11.4723 -11.4723 -4.4292 -4.4292 4.9273 4.9273 8.3372 8.3372 8.6729 8.6729 9.2319 9.2319 11.0139 11.0139 12.0354 12.0354 k =-0.0312 0.0308 0.6991 ( 1094 PWs) bands (ev): -11.4710 -11.4710 -4.4206 -4.4206 4.8816 4.8816 8.2918 8.2918 8.6083 8.6083 9.2903 9.2903 11.0790 11.0790 12.1152 12.1152 k =-0.0391 0.0385 0.6991 ( 1094 PWs) bands (ev): -11.4693 -11.4693 -4.4096 -4.4096 4.8247 4.8247 8.2366 8.2366 8.5270 8.5270 9.3662 9.3662 11.1596 11.1596 12.2133 12.2133 k =-0.0469 0.0461 0.6991 ( 1094 PWs) bands (ev): -11.4673 -11.4673 -4.3961 -4.3961 4.7579 4.7579 8.1731 8.1731 8.4315 8.4315 9.4582 9.4582 11.2538 11.2538 12.3271 12.3271 k =-0.0547 0.0538 0.6991 ( 1096 PWs) bands (ev): -11.4650 -11.4650 -4.3802 -4.3802 4.6826 4.6826 8.1031 8.1031 8.3242 8.3242 9.5650 9.5650 11.3602 11.3602 12.4543 12.4543 k =-0.0625 0.0615 0.6991 ( 1096 PWs) bands (ev): -11.4623 -11.4623 -4.3619 -4.3619 4.5999 4.5999 8.0281 8.0281 8.2074 8.2074 9.6850 9.6850 11.4772 11.4772 12.5930 12.5930 k =-0.0703 0.0692 0.6991 ( 1100 PWs) bands (ev): -11.4594 -11.4594 -4.3412 -4.3412 4.5110 4.5110 7.9491 7.9491 8.0829 8.0829 9.8168 9.8168 11.6035 11.6035 12.6109 12.6109 k =-0.0781 0.0769 0.6991 ( 1100 PWs) bands (ev): -11.4561 -11.4561 -4.3180 -4.3180 4.4170 4.4170 7.8674 7.8674 7.9526 7.9526 9.9593 9.9593 11.7379 11.7379 12.4964 12.4964 k =-0.0859 0.0846 0.6991 ( 1092 PWs) bands (ev): -11.4523 -11.4523 -4.2924 -4.2924 4.3190 4.3190 7.7831 7.7831 7.8184 7.8184 10.1114 10.1114 11.8796 11.8796 12.3796 12.3796 k =-0.0938 0.0923 0.6991 ( 1088 PWs) bands (ev): -11.4483 -11.4483 -4.2644 -4.2644 4.2177 4.2177 7.6743 7.6743 7.7038 7.7038 10.2721 10.2721 12.0278 12.0278 12.2612 12.2612 k =-0.1016 0.1000 0.6991 ( 1088 PWs) bands (ev): -11.4440 -11.4440 -4.2340 -4.2340 4.1139 4.1139 7.5338 7.5338 7.6175 7.6175 10.4406 10.4406 12.1420 12.1420 12.1816 12.1816 k =-0.1094 0.1077 0.6991 ( 1088 PWs) bands (ev): -11.4395 -11.4395 -4.2011 -4.2011 4.0083 4.0083 7.3896 7.3896 7.5325 7.5325 10.6163 10.6163 12.0225 12.0225 12.3407 12.3407 k =-0.1172 0.1154 0.6991 ( 1088 PWs) bands (ev): -11.4346 -11.4346 -4.1659 -4.1659 3.9014 3.9014 7.2433 7.2433 7.4485 7.4485 10.7983 10.7983 11.9033 11.9033 12.5044 12.5044 k =-0.1250 0.1231 0.6991 ( 1084 PWs) bands (ev): -11.4293 -11.4293 -4.1283 -4.1283 3.7938 3.7938 7.0956 7.0956 7.3656 7.3656 10.9864 10.9864 11.7847 11.7847 12.6724 12.6724 k =-0.1328 0.1308 0.6991 ( 1084 PWs) bands (ev): -11.4240 -11.4240 -4.0883 -4.0883 3.6859 3.6859 6.9469 6.9469 7.2838 7.2838 11.1799 11.1799 11.6669 11.6669 12.8443 12.8443 k =-0.1406 0.1384 0.6991 ( 1084 PWs) bands (ev): -11.4184 -11.4184 -4.0460 -4.0460 3.5781 3.5781 6.7975 6.7975 7.2035 7.2035 11.3785 11.3785 11.5504 11.5504 13.0196 13.0196 k =-0.1484 0.1461 0.6991 ( 1086 PWs) bands (ev): -11.4125 -11.4125 -4.0013 -4.0013 3.4706 3.4706 6.6475 6.6475 7.1248 7.1248 11.4353 11.4353 11.5817 11.5817 13.1981 13.1981 k =-0.1562 0.1538 0.6991 ( 1078 PWs) bands (ev): -11.4064 -11.4064 -3.9541 -3.9541 3.3637 3.3637 6.4973 6.4973 7.0479 7.0479 11.3217 11.3217 11.7894 11.7894 13.3795 13.3795 k =-0.1641 0.1615 0.6991 ( 1078 PWs) bands (ev): -11.4001 -11.4001 -3.9047 -3.9047 3.2578 3.2578 6.3469 6.3469 6.9730 6.9730 11.2098 11.2098 12.0012 12.0012 13.5634 13.5634 k =-0.1719 0.1692 0.6991 ( 1078 PWs) bands (ev): -11.3937 -11.3937 -3.8530 -3.8530 3.1529 3.1529 6.1964 6.1964 6.9002 6.9002 11.0998 11.0998 12.2169 12.2169 13.7496 13.7496 k =-0.1797 0.1769 0.6991 ( 1078 PWs) bands (ev): -11.3870 -11.3870 -3.7990 -3.7990 3.0493 3.0493 6.0461 6.0461 6.8295 6.8295 10.9917 10.9917 12.4363 12.4363 13.9376 13.9376 k =-0.1875 0.1846 0.6991 ( 1078 PWs) bands (ev): -11.3803 -11.3803 -3.7426 -3.7426 2.9472 2.9472 5.8959 5.8959 6.7611 6.7611 10.8857 10.8857 12.6591 12.6591 14.1271 14.1271 k =-0.1953 0.1923 0.6991 ( 1078 PWs) bands (ev): -11.3733 -11.3733 -3.6840 -3.6840 2.8467 2.8467 5.7459 5.7459 6.6949 6.6949 10.7818 10.7818 12.8852 12.8852 14.3176 14.3176 k =-0.2031 0.2000 0.6991 ( 1082 PWs) bands (ev): -11.3664 -11.3664 -3.6231 -3.6231 2.7479 2.7479 5.5962 5.5962 6.6310 6.6310 10.6801 10.6801 13.1144 13.1144 14.5085 14.5085 k =-0.2109 0.2077 0.6991 ( 1078 PWs) bands (ev): -11.3591 -11.3591 -3.5599 -3.5599 2.6509 2.6509 5.4468 5.4468 6.5695 6.5695 10.5807 10.5807 13.3466 13.3466 14.6992 14.6992 k =-0.2188 0.2154 0.6991 ( 1078 PWs) bands (ev): -11.3519 -11.3519 -3.4945 -3.4945 2.5559 2.5559 5.2977 5.2977 6.5104 6.5104 10.4835 10.4835 13.5817 13.5817 14.8886 14.8886 k =-0.2266 0.2231 0.6991 ( 1082 PWs) bands (ev): -11.3447 -11.3447 -3.4268 -3.4268 2.4629 2.4629 5.1490 5.1490 6.4537 6.4537 10.3888 10.3888 13.8194 13.8194 15.0756 15.0756 k =-0.2344 0.2307 0.6991 ( 1082 PWs) bands (ev): -11.3374 -11.3374 -3.3570 -3.3570 2.3720 2.3720 5.0007 5.0007 6.3994 6.3994 10.2964 10.2964 14.0597 14.0597 15.2584 15.2584 k =-0.2422 0.2384 0.6991 ( 1082 PWs) bands (ev): -11.3300 -11.3300 -3.2850 -3.2850 2.2832 2.2832 4.8528 4.8528 6.3475 6.3475 10.2065 10.2065 14.3024 14.3024 15.4348 15.4348 k =-0.2500 0.2461 0.6991 ( 1082 PWs) bands (ev): -11.3226 -11.3226 -3.2107 -3.2107 2.1967 2.1967 4.7053 4.7053 6.2981 6.2981 10.1190 10.1190 14.5474 14.5474 15.3049 15.3049 k =-0.2578 0.2538 0.6991 ( 1086 PWs) bands (ev): -11.3152 -11.3152 -3.1344 -3.1344 2.1125 2.1125 4.5581 4.5581 6.2510 6.2510 10.0341 10.0341 14.7946 14.7946 15.1409 15.1409 k =-0.2656 0.2615 0.6991 ( 1086 PWs) bands (ev): -11.3079 -11.3079 -3.0560 -3.0560 2.0306 2.0306 4.4114 4.4114 6.2063 6.2063 9.9516 9.9516 14.9747 14.9747 15.0439 15.0439 k =-0.2734 0.2692 0.6991 ( 1086 PWs) bands (ev): -11.3006 -11.3006 -2.9754 -2.9754 1.9511 1.9511 4.2652 4.2652 6.1639 6.1639 9.8717 9.8717 14.8089 14.8089 15.2950 15.2950 k =-0.2812 0.2769 0.6991 ( 1086 PWs) bands (ev): -11.2933 -11.2933 -2.8928 -2.8928 1.8740 1.8740 4.1193 4.1193 6.1239 6.1239 9.7944 9.7944 14.6452 14.6452 15.5480 15.5480 k =-0.2891 0.2846 0.6991 ( 1086 PWs) bands (ev): -11.2861 -11.2861 -2.8081 -2.8081 1.7994 1.7994 3.9739 3.9739 6.0861 6.0861 9.7197 9.7197 14.4847 14.4847 15.8026 15.8026 k =-0.2969 0.2923 0.6991 ( 1086 PWs) bands (ev): -11.2790 -11.2790 -2.7214 -2.7214 1.7273 1.7273 3.8289 3.8289 6.0506 6.0506 9.6476 9.6476 14.3281 14.3281 16.0584 16.0584 k =-0.3047 0.3000 0.6991 ( 1086 PWs) bands (ev): -11.2721 -11.2721 -2.6328 -2.6328 1.6576 1.6576 3.6844 3.6844 6.0172 6.0172 9.5781 9.5781 14.1760 14.1760 16.0538 16.0538 k =-0.3125 0.3077 0.6991 ( 1084 PWs) bands (ev): -11.2651 -11.2651 -2.5421 -2.5421 1.5906 1.5906 3.5402 3.5402 5.9861 5.9861 9.5113 9.5113 14.0285 14.0285 15.9878 15.9878 k =-0.3203 0.3154 0.6991 ( 1080 PWs) bands (ev): -11.2584 -11.2584 -2.4495 -2.4495 1.5262 1.5262 3.3966 3.3966 5.9570 5.9570 9.4471 9.4471 13.8862 13.8862 15.9031 15.9031 k =-0.3281 0.3230 0.6991 ( 1076 PWs) bands (ev): -11.2518 -11.2518 -2.3551 -2.3551 1.4644 1.4644 3.2534 3.2534 5.9299 5.9299 9.3856 9.3856 13.7491 13.7491 15.8063 15.8063 k =-0.3359 0.3307 0.6991 ( 1072 PWs) bands (ev): -11.2454 -11.2454 -2.2589 -2.2589 1.4052 1.4052 3.1107 3.1107 5.9047 5.9047 9.3267 9.3267 13.6174 13.6174 15.7022 15.7022 k =-0.3438 0.3384 0.6991 ( 1072 PWs) bands (ev): -11.2393 -11.2393 -2.1608 -2.1608 1.3486 1.3486 2.9684 2.9684 5.8814 5.8814 9.2705 9.2705 13.4913 13.4913 15.5945 15.5945 k =-0.3516 0.3461 0.6991 ( 1084 PWs) bands (ev): -11.2334 -11.2334 -2.0611 -2.0611 1.2945 1.2945 2.8267 2.8267 5.8598 5.8598 9.2170 9.2170 13.3709 13.3709 15.4857 15.4857 k =-0.3594 0.3538 0.6991 ( 1084 PWs) bands (ev): -11.2276 -11.2276 -1.9596 -1.9596 1.2432 1.2432 2.6856 2.6856 5.8400 5.8400 9.1662 9.1662 13.2563 13.2563 15.3777 15.3777 k =-0.3672 0.3615 0.6991 ( 1088 PWs) bands (ev): -11.2222 -11.2222 -1.8564 -1.8564 1.1946 1.1946 2.5451 2.5451 5.8219 5.8219 9.1182 9.1182 13.1475 13.1475 15.2718 15.2718 k =-0.3750 0.3692 0.6991 ( 1092 PWs) bands (ev): -11.2169 -11.2169 -1.7518 -1.7518 1.1487 1.1487 2.4052 2.4052 5.8053 5.8053 9.0728 9.0728 13.0447 13.0447 15.1692 15.1692 k =-0.3828 0.3769 0.6991 ( 1090 PWs) bands (ev): -11.2119 -11.2119 -1.6456 -1.6456 1.1055 1.1055 2.2660 2.2660 5.7904 5.7904 9.0302 9.0302 12.9479 12.9479 15.0704 15.0704 k =-0.3906 0.3846 0.6991 ( 1090 PWs) bands (ev): -11.2071 -11.2071 -1.5379 -1.5379 1.0651 1.0651 2.1277 2.1277 5.7768 5.7768 8.9903 8.9903 12.8572 12.8572 14.9762 14.9762 k =-0.3984 0.3923 0.6991 ( 1090 PWs) bands (ev): -11.2026 -11.2026 -1.4290 -1.4290 1.0273 1.0273 1.9902 1.9902 5.7646 5.7646 8.9531 8.9531 12.7725 12.7725 14.8871 14.8871 k =-0.4062 0.4000 0.6991 ( 1090 PWs) bands (ev): -11.1984 -11.1984 -1.3189 -1.3189 0.9923 0.9923 1.8537 1.8537 5.7537 5.7537 8.9186 8.9186 12.6940 12.6940 14.8033 14.8033 k =-0.4141 0.4077 0.6991 ( 1086 PWs) bands (ev): -11.1945 -11.1945 -1.2076 -1.2076 0.9600 0.9600 1.7183 1.7183 5.7440 5.7440 8.8869 8.8869 12.6217 12.6217 14.7253 14.7253 k =-0.4219 0.4153 0.6991 ( 1086 PWs) bands (ev): -11.1909 -11.1909 -1.0956 -1.0956 0.9304 0.9304 1.5843 1.5843 5.7354 5.7354 8.8580 8.8580 12.5556 12.5556 14.6534 14.6534 k =-0.4297 0.4230 0.6991 ( 1084 PWs) bands (ev): -11.1876 -11.1876 -0.9829 -0.9829 0.9034 0.9034 1.4519 1.4519 5.7279 5.7279 8.8318 8.8318 12.4957 12.4957 14.5877 14.5877 k =-0.4375 0.4307 0.6991 ( 1084 PWs) bands (ev): -11.1846 -11.1846 -0.8699 -0.8699 0.8790 0.8790 1.3216 1.3216 5.7214 5.7214 8.8083 8.8083 12.4420 12.4420 14.5284 14.5284 k =-0.4453 0.4384 0.6991 ( 1084 PWs) bands (ev): -11.1820 -11.1820 -0.7572 -0.7572 0.8570 0.8570 1.1941 1.1941 5.7158 5.7158 8.7876 8.7876 12.3947 12.3947 14.4757 14.4757 k =-0.4531 0.4461 0.6991 ( 1088 PWs) bands (ev): -11.1798 -11.1798 -0.6454 -0.6454 0.8369 0.8369 1.0705 1.0705 5.7110 5.7110 8.7696 8.7696 12.3536 12.3536 14.4298 14.4298 k =-0.4609 0.4538 0.6991 ( 1088 PWs) bands (ev): -11.1778 -11.1778 -0.5358 -0.5358 0.8164 0.8164 0.9543 0.9543 5.7071 5.7071 8.7545 8.7545 12.3188 12.3188 14.3908 14.3908 k =-0.4688 0.4615 0.6991 ( 1088 PWs) bands (ev): -11.1763 -11.1763 -0.4302 -0.4302 0.7828 0.7828 0.8602 0.8602 5.7039 5.7039 8.7420 8.7420 12.2903 12.2903 14.3587 14.3587 k =-0.4766 0.4692 0.6991 ( 1092 PWs) bands (ev): -11.1750 -11.1750 -0.3321 -0.3321 0.7072 0.7072 0.8205 0.8205 5.7015 5.7015 8.7323 8.7323 12.2682 12.2682 14.3337 14.3337 k =-0.4844 0.4769 0.6991 ( 1092 PWs) bands (ev): -11.1741 -11.1741 -0.2477 -0.2477 0.6239 0.6239 0.8071 0.8071 5.6998 5.6998 8.7254 8.7254 12.2523 12.2523 14.3158 14.3158 k =-0.4922 0.4846 0.6991 ( 1088 PWs) bands (ev): -11.1735 -11.1735 -0.1875 -0.1875 0.5625 0.5625 0.8010 0.8010 5.6988 5.6988 8.7213 8.7213 12.2428 12.2428 14.3050 14.3050 k =-0.5000 0.4923 0.6991 ( 1088 PWs) bands (ev): -11.1733 -11.1733 -0.1651 -0.1651 0.5395 0.5395 0.7991 0.7991 5.6985 5.6985 8.7199 8.7199 12.2397 12.2397 14.3014 14.3014 Writing output data file GeH4.save init_run : 1.60s CPU 11.14s WALL ( 1 calls) electrons : 111.67s CPU 115.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.26s CPU 1.31s WALL ( 1 calls) Called by electrons: c_bands : 111.58s CPU 115.32s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.67s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.07s CPU 0.38s WALL ( 1 calls) newd : 0.14s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 612 calls) cegterg : 68.51s CPU 69.34s WALL ( 712 calls) Called by sum_band: Called by *egterg: h_psi : 42.46s CPU 46.41s WALL ( 11341 calls) s_psi : 0.24s CPU 0.72s WALL ( 11341 calls) g_psi : 0.04s CPU 0.09s WALL ( 10017 calls) cdiaghg : 15.52s CPU 15.08s WALL ( 10629 calls) cegterg:over : 4.85s CPU 4.19s WALL ( 10017 calls) cegterg:upda : 0.27s CPU 0.64s WALL ( 10017 calls) cegterg:last : 0.12s CPU 0.50s WALL ( 2381 calls) Called by h_psi: h_psi:vloc : 37.94s CPU 42.90s WALL ( 11341 calls) h_psi:vnl : 4.49s CPU 3.43s WALL ( 11341 calls) add_vuspsi : 0.18s CPU 0.52s WALL ( 11341 calls) General routines calbec : 4.30s CPU 2.83s WALL ( 11341 calls) fft : 0.26s CPU 1.21s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 36.52s CPU 41.27s WALL ( 465872 calls) interpolate : 0.08s CPU 0.15s WALL ( 4 calls) davcio : 0.03s CPU 0.43s WALL ( 1224 calls) Parallel routines fft_scatter : 25.09s CPU 29.14s WALL ( 465895 calls) PWSCF : 2m21.87s CPU 4m30.77s WALL This run was terminated on: 11:39:58 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=