Program PWSCF v.5.1.1 starts on 27Aug2015 at 3:40:50 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: ./BAs.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized 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 19 9 3 372 137 24 Max 20 10 4 375 149 27 Sum 913 475 151 17933 6855 1243 bravais-lattice index = 14 lattice parameter (alat) = 6.3338 a.u. unit-cell volume = 179.6683 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.333768 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) B 3.00 10.81100 B( 1.00) 6 Sym. Ops. (no 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 441 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 2) = ( 0.0074627 -0.0043086 0.0060933), wk = 0.0022676 k( 3) = ( 0.0149254 -0.0086172 0.0121865), wk = 0.0022676 k( 4) = ( 0.0223881 -0.0129258 0.0182798), wk = 0.0022676 k( 5) = ( 0.0298507 -0.0172343 0.0243730), wk = 0.0022676 k( 6) = ( 0.0373134 -0.0215429 0.0304663), wk = 0.0022676 k( 7) = ( 0.0447761 -0.0258515 0.0365595), wk = 0.0022676 k( 8) = ( 0.0522388 -0.0301601 0.0426528), wk = 0.0022676 k( 9) = ( 0.0597015 -0.0344687 0.0487461), wk = 0.0022676 k( 10) = ( 0.0671642 -0.0387773 0.0548393), wk = 0.0022676 k( 11) = ( 0.0746269 -0.0430858 0.0609326), wk = 0.0022676 k( 12) = ( 0.0820895 -0.0473944 0.0670258), wk = 0.0022676 k( 13) = ( 0.0895522 -0.0517030 0.0731191), wk = 0.0022676 k( 14) = ( 0.0970149 -0.0560116 0.0792124), wk = 0.0022676 k( 15) = ( 0.1044776 -0.0603202 0.0853056), wk = 0.0022676 k( 16) = ( 0.1119403 -0.0646288 0.0913989), wk = 0.0022676 k( 17) = ( 0.1194030 -0.0689373 0.0974921), wk = 0.0022676 k( 18) = ( 0.1268657 -0.0732459 0.1035854), wk = 0.0022676 k( 19) = ( 0.1343284 -0.0775545 0.1096786), wk = 0.0022676 k( 20) = ( 0.1417910 -0.0818631 0.1157719), wk = 0.0022676 k( 21) = ( 0.1492537 -0.0861717 0.1218652), wk = 0.0022676 k( 22) = ( 0.1567164 -0.0904803 0.1279584), wk = 0.0022676 k( 23) = ( 0.1641791 -0.0947888 0.1340517), wk = 0.0022676 k( 24) = ( 0.1716418 -0.0990974 0.1401449), wk = 0.0022676 k( 25) = ( 0.1791045 -0.1034060 0.1462382), wk = 0.0022676 k( 26) = ( 0.1865672 -0.1077146 0.1523314), wk = 0.0022676 k( 27) = ( 0.1940299 -0.1120232 0.1584247), wk = 0.0022676 k( 28) = ( 0.2014925 -0.1163318 0.1645180), wk = 0.0022676 k( 29) = ( 0.2089552 -0.1206404 0.1706112), wk = 0.0022676 k( 30) = ( 0.2164179 -0.1249489 0.1767045), wk = 0.0022676 k( 31) = ( 0.2238806 -0.1292575 0.1827977), wk = 0.0022676 k( 32) = ( 0.2313433 -0.1335661 0.1888910), wk = 0.0022676 k( 33) = ( 0.2388060 -0.1378747 0.1949843), wk = 0.0022676 k( 34) = ( 0.2462687 -0.1421833 0.2010775), wk = 0.0022676 k( 35) = ( 0.2537313 -0.1464919 0.2071708), wk = 0.0022676 k( 36) = ( 0.2611940 -0.1508004 0.2132640), wk = 0.0022676 k( 37) = ( 0.2686567 -0.1551090 0.2193573), wk = 0.0022676 k( 38) = ( 0.2761194 -0.1594176 0.2254505), wk = 0.0022676 k( 39) = ( 0.2835821 -0.1637262 0.2315438), wk = 0.0022676 k( 40) = ( 0.2910448 -0.1680348 0.2376371), wk = 0.0022676 k( 41) = ( 0.2985075 -0.1723434 0.2437303), wk = 0.0022676 k( 42) = ( 0.3059701 -0.1766519 0.2498236), wk = 0.0022676 k( 43) = ( 0.3134328 -0.1809605 0.2559168), wk = 0.0022676 k( 44) = ( 0.3208955 -0.1852691 0.2620101), wk = 0.0022676 k( 45) = ( 0.3283582 -0.1895777 0.2681034), wk = 0.0022676 k( 46) = ( 0.3358209 -0.1938863 0.2741966), wk = 0.0022676 k( 47) = ( 0.3432836 -0.1981949 0.2802899), wk = 0.0022676 k( 48) = ( 0.3507463 -0.2025035 0.2863831), wk = 0.0022676 k( 49) = ( 0.3582090 -0.2068120 0.2924764), wk = 0.0022676 k( 50) = ( 0.3656716 -0.2111206 0.2985696), wk = 0.0022676 k( 51) = ( 0.3731343 -0.2154292 0.3046629), wk = 0.0022676 k( 52) = ( 0.3805970 -0.2197378 0.3107562), wk = 0.0022676 k( 53) = ( 0.3880597 -0.2240464 0.3168494), wk = 0.0022676 k( 54) = ( 0.3955224 -0.2283550 0.3229427), wk = 0.0022676 k( 55) = ( 0.4029851 -0.2326635 0.3290359), wk = 0.0022676 k( 56) = ( 0.4104478 -0.2369721 0.3351292), wk = 0.0022676 k( 57) = ( 0.4179104 -0.2412807 0.3412225), wk = 0.0022676 k( 58) = ( 0.4253731 -0.2455893 0.3473157), wk = 0.0022676 k( 59) = ( 0.4328358 -0.2498979 0.3534090), wk = 0.0022676 k( 60) = ( 0.4402985 -0.2542065 0.3595022), wk = 0.0022676 k( 61) = ( 0.4477612 -0.2585150 0.3655955), wk = 0.0022676 k( 62) = ( 0.4552239 -0.2628236 0.3716887), wk = 0.0022676 k( 63) = ( 0.4626866 -0.2671322 0.3777820), wk = 0.0022676 k( 64) = ( 0.4701493 -0.2714408 0.3838753), wk = 0.0022676 k( 65) = ( 0.4776119 -0.2757494 0.3899685), wk = 0.0022676 k( 66) = ( 0.4850746 -0.2800580 0.3960618), wk = 0.0022676 k( 67) = ( 0.4925373 -0.2843665 0.4021550), wk = 0.0022676 k( 68) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022676 k( 69) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022676 k( 70) = ( 0.5000000 -0.2801847 0.4142519), wk = 0.0022676 k( 71) = ( 0.5000000 -0.2716942 0.4202556), wk = 0.0022676 k( 72) = ( 0.5000000 -0.2632038 0.4262592), wk = 0.0022676 k( 73) = ( 0.5000000 -0.2547134 0.4322629), wk = 0.0022676 k( 74) = ( 0.5000000 -0.2462229 0.4382666), wk = 0.0022676 k( 75) = ( 0.5000000 -0.2377325 0.4442702), wk = 0.0022676 k( 76) = ( 0.5000000 -0.2292420 0.4502739), wk = 0.0022676 k( 77) = ( 0.5000000 -0.2207516 0.4562775), wk = 0.0022676 k( 78) = ( 0.5000000 -0.2122611 0.4622812), wk = 0.0022676 k( 79) = ( 0.5000000 -0.2037707 0.4682848), wk = 0.0022676 k( 80) = ( 0.5000000 -0.1952802 0.4742885), wk = 0.0022676 k( 81) = ( 0.5000000 -0.1867898 0.4802921), wk = 0.0022676 k( 82) = ( 0.5000000 -0.1782993 0.4862958), wk = 0.0022676 k( 83) = ( 0.5000000 -0.1698089 0.4922994), wk = 0.0022676 k( 84) = ( 0.5000000 -0.1613185 0.4983031), wk = 0.0022676 k( 85) = ( 0.5000000 -0.1528280 0.5043067), wk = 0.0022676 k( 86) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0022676 k( 87) = ( 0.5000000 -0.1358471 0.5163140), wk = 0.0022676 k( 88) = ( 0.5000000 -0.1273567 0.5223177), wk = 0.0022676 k( 89) = ( 0.5000000 -0.1188662 0.5283213), wk = 0.0022676 k( 90) = ( 0.5000000 -0.1103758 0.5343250), wk = 0.0022676 k( 91) = ( 0.5000000 -0.1018853 0.5403286), wk = 0.0022676 k( 92) = ( 0.5000000 -0.0933949 0.5463323), wk = 0.0022676 k( 93) = ( 0.5000000 -0.0849044 0.5523359), wk = 0.0022676 k( 94) = ( 0.5000000 -0.0764140 0.5583396), wk = 0.0022676 k( 95) = ( 0.5000000 -0.0679236 0.5643432), wk = 0.0022676 k( 96) = ( 0.5000000 -0.0594331 0.5703469), wk = 0.0022676 k( 97) = ( 0.5000000 -0.0509427 0.5763505), wk = 0.0022676 k( 98) = ( 0.5000000 -0.0424522 0.5823542), wk = 0.0022676 k( 99) = ( 0.5000000 -0.0339618 0.5883578), wk = 0.0022676 k( 100) = ( 0.5000000 -0.0254713 0.5943615), wk = 0.0022676 k( 101) = ( 0.5000000 -0.0169809 0.6003651), wk = 0.0022676 k( 102) = ( 0.5000000 -0.0084904 0.6063688), wk = 0.0022676 k( 103) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022676 k( 104) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022676 k( 105) = ( 0.4947917 0.0090211 0.6123724), wk = 0.0022676 k( 106) = ( 0.4895833 0.0180422 0.6123724), wk = 0.0022676 k( 107) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0022676 k( 108) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0022676 k( 109) = ( 0.4739583 0.0451055 0.6123724), wk = 0.0022676 k( 110) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0022676 k( 111) = ( 0.4635417 0.0631477 0.6123724), wk = 0.0022676 k( 112) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0022676 k( 113) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0022676 k( 114) = ( 0.4479167 0.0902110 0.6123724), wk = 0.0022676 k( 115) = ( 0.4427083 0.0992321 0.6123724), wk = 0.0022676 k( 116) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0022676 k( 117) = ( 0.4322917 0.1172743 0.6123724), wk = 0.0022676 k( 118) = ( 0.4270833 0.1262954 0.6123724), wk = 0.0022676 k( 119) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0022676 k( 120) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0022676 k( 121) = ( 0.4114583 0.1533587 0.6123724), wk = 0.0022676 k( 122) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0022676 k( 123) = ( 0.4010417 0.1714009 0.6123724), wk = 0.0022676 k( 124) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0022676 k( 125) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0022676 k( 126) = ( 0.3854167 0.1984641 0.6123724), wk = 0.0022676 k( 127) = ( 0.3802083 0.2074853 0.6123724), wk = 0.0022676 k( 128) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022676 k( 129) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022676 k( 130) = ( 0.3697183 0.2134570 0.6037475), wk = 0.0022676 k( 131) = ( 0.3644366 0.2104076 0.5951225), wk = 0.0022676 k( 132) = ( 0.3591549 0.2073582 0.5864975), wk = 0.0022676 k( 133) = ( 0.3538732 0.2043088 0.5778726), wk = 0.0022676 k( 134) = ( 0.3485915 0.2012594 0.5692476), wk = 0.0022676 k( 135) = ( 0.3433099 0.1982100 0.5606227), wk = 0.0022676 k( 136) = ( 0.3380282 0.1951607 0.5519977), wk = 0.0022676 k( 137) = ( 0.3327465 0.1921113 0.5433727), wk = 0.0022676 k( 138) = ( 0.3274648 0.1890619 0.5347478), wk = 0.0022676 k( 139) = ( 0.3221831 0.1860125 0.5261228), wk = 0.0022676 k( 140) = ( 0.3169014 0.1829631 0.5174978), wk = 0.0022676 k( 141) = ( 0.3116197 0.1799137 0.5088729), wk = 0.0022676 k( 142) = ( 0.3063380 0.1768643 0.5002479), wk = 0.0022676 k( 143) = ( 0.3010563 0.1738150 0.4916229), wk = 0.0022676 k( 144) = ( 0.2957746 0.1707656 0.4829980), wk = 0.0022676 k( 145) = ( 0.2904930 0.1677162 0.4743730), wk = 0.0022676 k( 146) = ( 0.2852113 0.1646668 0.4657481), wk = 0.0022676 k( 147) = ( 0.2799296 0.1616174 0.4571231), wk = 0.0022676 k( 148) = ( 0.2746479 0.1585680 0.4484981), wk = 0.0022676 k( 149) = ( 0.2693662 0.1555186 0.4398732), wk = 0.0022676 k( 150) = ( 0.2640845 0.1524693 0.4312482), wk = 0.0022676 k( 151) = ( 0.2588028 0.1494199 0.4226232), wk = 0.0022676 k( 152) = ( 0.2535211 0.1463705 0.4139983), wk = 0.0022676 k( 153) = ( 0.2482394 0.1433211 0.4053733), wk = 0.0022676 k( 154) = ( 0.2429578 0.1402717 0.3967483), wk = 0.0022676 k( 155) = ( 0.2376761 0.1372223 0.3881234), wk = 0.0022676 k( 156) = ( 0.2323944 0.1341730 0.3794984), wk = 0.0022676 k( 157) = ( 0.2271127 0.1311236 0.3708734), wk = 0.0022676 k( 158) = ( 0.2218310 0.1280742 0.3622485), wk = 0.0022676 k( 159) = ( 0.2165493 0.1250248 0.3536235), wk = 0.0022676 k( 160) = ( 0.2112676 0.1219754 0.3449986), wk = 0.0022676 k( 161) = ( 0.2059859 0.1189260 0.3363736), wk = 0.0022676 k( 162) = ( 0.2007042 0.1158766 0.3277486), wk = 0.0022676 k( 163) = ( 0.1954225 0.1128273 0.3191237), wk = 0.0022676 k( 164) = ( 0.1901409 0.1097779 0.3104987), wk = 0.0022676 k( 165) = ( 0.1848591 0.1067285 0.3018737), wk = 0.0022676 k( 166) = ( 0.1795775 0.1036791 0.2932488), wk = 0.0022676 k( 167) = ( 0.1742958 0.1006297 0.2846238), wk = 0.0022676 k( 168) = ( 0.1690141 0.0975803 0.2759988), wk = 0.0022676 k( 169) = ( 0.1637324 0.0945309 0.2673739), wk = 0.0022676 k( 170) = ( 0.1584507 0.0914816 0.2587489), wk = 0.0022676 k( 171) = ( 0.1531690 0.0884322 0.2501240), wk = 0.0022676 k( 172) = ( 0.1478873 0.0853828 0.2414990), wk = 0.0022676 k( 173) = ( 0.1426056 0.0823334 0.2328740), wk = 0.0022676 k( 174) = ( 0.1373239 0.0792840 0.2242491), wk = 0.0022676 k( 175) = ( 0.1320422 0.0762346 0.2156241), wk = 0.0022676 k( 176) = ( 0.1267606 0.0731852 0.2069991), wk = 0.0022676 k( 177) = ( 0.1214789 0.0701359 0.1983742), wk = 0.0022676 k( 178) = ( 0.1161972 0.0670865 0.1897492), wk = 0.0022676 k( 179) = ( 0.1109155 0.0640371 0.1811242), wk = 0.0022676 k( 180) = ( 0.1056338 0.0609877 0.1724993), wk = 0.0022676 k( 181) = ( 0.1003521 0.0579383 0.1638743), wk = 0.0022676 k( 182) = ( 0.0950704 0.0548889 0.1552494), wk = 0.0022676 k( 183) = ( 0.0897887 0.0518395 0.1466244), wk = 0.0022676 k( 184) = ( 0.0845070 0.0487902 0.1379994), wk = 0.0022676 k( 185) = ( 0.0792253 0.0457408 0.1293745), wk = 0.0022676 k( 186) = ( 0.0739437 0.0426914 0.1207495), wk = 0.0022676 k( 187) = ( 0.0686620 0.0396420 0.1121245), wk = 0.0022676 k( 188) = ( 0.0633803 0.0365926 0.1034996), wk = 0.0022676 k( 189) = ( 0.0580986 0.0335432 0.0948746), wk = 0.0022676 k( 190) = ( 0.0528169 0.0304939 0.0862496), wk = 0.0022676 k( 191) = ( 0.0475352 0.0274445 0.0776247), wk = 0.0022676 k( 192) = ( 0.0422535 0.0243951 0.0689997), wk = 0.0022676 k( 193) = ( 0.0369718 0.0213457 0.0603747), wk = 0.0022676 k( 194) = ( 0.0316901 0.0182963 0.0517498), wk = 0.0022676 k( 195) = ( 0.0264084 0.0152469 0.0431248), wk = 0.0022676 k( 196) = ( 0.0211268 0.0121975 0.0344999), wk = 0.0022676 k( 197) = ( 0.0158451 0.0091482 0.0258749), wk = 0.0022676 k( 198) = ( 0.0105634 0.0060988 0.0172499), wk = 0.0022676 k( 199) = ( 0.0052817 0.0030494 0.0086250), wk = 0.0022676 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 202) = ( 0.0086207 0.0049772 0.0035194), wk = 0.0022676 k( 203) = ( 0.0172414 0.0099543 0.0070388), wk = 0.0022676 k( 204) = ( 0.0258621 0.0149315 0.0105581), wk = 0.0022676 k( 205) = ( 0.0344828 0.0199086 0.0140775), wk = 0.0022676 k( 206) = ( 0.0431035 0.0248858 0.0175969), wk = 0.0022676 k( 207) = ( 0.0517241 0.0298629 0.0211163), wk = 0.0022676 k( 208) = ( 0.0603448 0.0348401 0.0246357), wk = 0.0022676 k( 209) = ( 0.0689655 0.0398173 0.0281551), wk = 0.0022676 k( 210) = ( 0.0775862 0.0447944 0.0316744), wk = 0.0022676 k( 211) = ( 0.0862069 0.0497716 0.0351938), wk = 0.0022676 k( 212) = ( 0.0948276 0.0547487 0.0387132), wk = 0.0022676 k( 213) = ( 0.1034483 0.0597259 0.0422326), wk = 0.0022676 k( 214) = ( 0.1120690 0.0647030 0.0457520), wk = 0.0022676 k( 215) = ( 0.1206897 0.0696802 0.0492713), wk = 0.0022676 k( 216) = ( 0.1293103 0.0746574 0.0527907), wk = 0.0022676 k( 217) = ( 0.1379310 0.0796345 0.0563101), wk = 0.0022676 k( 218) = ( 0.1465517 0.0846117 0.0598295), wk = 0.0022676 k( 219) = ( 0.1551724 0.0895888 0.0633489), wk = 0.0022676 k( 220) = ( 0.1637931 0.0945660 0.0668683), wk = 0.0022676 k( 221) = ( 0.1724138 0.0995431 0.0703876), wk = 0.0022676 k( 222) = ( 0.1810345 0.1045203 0.0739070), wk = 0.0022676 k( 223) = ( 0.1896552 0.1094975 0.0774264), wk = 0.0022676 k( 224) = ( 0.1982759 0.1144746 0.0809458), wk = 0.0022676 k( 225) = ( 0.2068966 0.1194518 0.0844652), wk = 0.0022676 k( 226) = ( 0.2155172 0.1244289 0.0879845), wk = 0.0022676 k( 227) = ( 0.2241379 0.1294061 0.0915039), wk = 0.0022676 k( 228) = ( 0.2327586 0.1343833 0.0950233), wk = 0.0022676 k( 229) = ( 0.2413793 0.1393604 0.0985427), wk = 0.0022676 k( 230) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0022676 k( 231) = ( 0.2586207 0.1493147 0.1055815), wk = 0.0022676 k( 232) = ( 0.2672414 0.1542919 0.1091008), wk = 0.0022676 k( 233) = ( 0.2758621 0.1592690 0.1126202), wk = 0.0022676 k( 234) = ( 0.2844828 0.1642462 0.1161396), wk = 0.0022676 k( 235) = ( 0.2931034 0.1692234 0.1196590), wk = 0.0022676 k( 236) = ( 0.3017241 0.1742005 0.1231784), wk = 0.0022676 k( 237) = ( 0.3103448 0.1791777 0.1266977), wk = 0.0022676 k( 238) = ( 0.3189655 0.1841548 0.1302171), wk = 0.0022676 k( 239) = ( 0.3275862 0.1891320 0.1337365), wk = 0.0022676 k( 240) = ( 0.3362069 0.1941091 0.1372559), wk = 0.0022676 k( 241) = ( 0.3448276 0.1990863 0.1407753), wk = 0.0022676 k( 242) = ( 0.3534483 0.2040635 0.1442947), wk = 0.0022676 k( 243) = ( 0.3620690 0.2090406 0.1478140), wk = 0.0022676 k( 244) = ( 0.3706897 0.2140178 0.1513334), wk = 0.0022676 k( 245) = ( 0.3793103 0.2189949 0.1548528), wk = 0.0022676 k( 246) = ( 0.3879310 0.2239721 0.1583722), wk = 0.0022676 k( 247) = ( 0.3965517 0.2289492 0.1618916), wk = 0.0022676 k( 248) = ( 0.4051724 0.2339264 0.1654109), wk = 0.0022676 k( 249) = ( 0.4137931 0.2389036 0.1689303), wk = 0.0022676 k( 250) = ( 0.4224138 0.2438807 0.1724497), wk = 0.0022676 k( 251) = ( 0.4310345 0.2488579 0.1759691), wk = 0.0022676 k( 252) = ( 0.4396552 0.2538350 0.1794885), wk = 0.0022676 k( 253) = ( 0.4482759 0.2588122 0.1830079), wk = 0.0022676 k( 254) = ( 0.4568966 0.2637893 0.1865272), wk = 0.0022676 k( 255) = ( 0.4655172 0.2687665 0.1900466), wk = 0.0022676 k( 256) = ( 0.4741379 0.2737437 0.1935660), wk = 0.0022676 k( 257) = ( 0.4827586 0.2787208 0.1970854), wk = 0.0022676 k( 258) = ( 0.4913793 0.2836980 0.2006048), wk = 0.0022676 k( 259) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022676 k( 260) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022676 k( 261) = ( 0.5030488 0.2798741 0.2091028), wk = 0.0022676 k( 262) = ( 0.5060976 0.2710730 0.2140814), wk = 0.0022676 k( 263) = ( 0.5091463 0.2622719 0.2190601), wk = 0.0022676 k( 264) = ( 0.5121951 0.2534709 0.2240387), wk = 0.0022676 k( 265) = ( 0.5152439 0.2446698 0.2290173), wk = 0.0022676 k( 266) = ( 0.5182927 0.2358687 0.2339960), wk = 0.0022676 k( 267) = ( 0.5213415 0.2270676 0.2389746), wk = 0.0022676 k( 268) = ( 0.5243902 0.2182666 0.2439532), wk = 0.0022676 k( 269) = ( 0.5274390 0.2094655 0.2489319), wk = 0.0022676 k( 270) = ( 0.5304878 0.2006644 0.2539105), wk = 0.0022676 k( 271) = ( 0.5335366 0.1918633 0.2588892), wk = 0.0022676 k( 272) = ( 0.5365854 0.1830623 0.2638678), wk = 0.0022676 k( 273) = ( 0.5396342 0.1742612 0.2688464), wk = 0.0022676 k( 274) = ( 0.5426829 0.1654601 0.2738251), wk = 0.0022676 k( 275) = ( 0.5457317 0.1566591 0.2788037), wk = 0.0022676 k( 276) = ( 0.5487805 0.1478580 0.2837824), wk = 0.0022676 k( 277) = ( 0.5518293 0.1390569 0.2887610), wk = 0.0022676 k( 278) = ( 0.5548781 0.1302558 0.2937396), wk = 0.0022676 k( 279) = ( 0.5579268 0.1214548 0.2987183), wk = 0.0022676 k( 280) = ( 0.5609756 0.1126537 0.3036969), wk = 0.0022676 k( 281) = ( 0.5640244 0.1038526 0.3086755), wk = 0.0022676 k( 282) = ( 0.5670732 0.0950516 0.3136542), wk = 0.0022676 k( 283) = ( 0.5701219 0.0862505 0.3186328), wk = 0.0022676 k( 284) = ( 0.5731707 0.0774494 0.3236114), wk = 0.0022676 k( 285) = ( 0.5762195 0.0686484 0.3285901), wk = 0.0022676 k( 286) = ( 0.5792683 0.0598473 0.3335687), wk = 0.0022676 k( 287) = ( 0.5823171 0.0510462 0.3385474), wk = 0.0022676 k( 288) = ( 0.5853658 0.0422451 0.3435260), wk = 0.0022676 k( 289) = ( 0.5884146 0.0334441 0.3485046), wk = 0.0022676 k( 290) = ( 0.5914634 0.0246430 0.3534833), wk = 0.0022676 k( 291) = ( 0.5945122 0.0158419 0.3584619), wk = 0.0022676 k( 292) = ( 0.5975610 0.0070409 0.3634406), wk = 0.0022676 k( 293) = ( 0.6006098 -0.0017602 0.3684192), wk = 0.0022676 k( 294) = ( 0.6036585 -0.0105613 0.3733978), wk = 0.0022676 k( 295) = ( 0.6067073 -0.0193624 0.3783765), wk = 0.0022676 k( 296) = ( 0.6097561 -0.0281634 0.3833551), wk = 0.0022676 k( 297) = ( 0.6128049 -0.0369645 0.3883337), wk = 0.0022676 k( 298) = ( 0.6158537 -0.0457656 0.3933124), wk = 0.0022676 k( 299) = ( 0.6189024 -0.0545666 0.3982910), wk = 0.0022676 k( 300) = ( 0.6219512 -0.0633677 0.4032697), wk = 0.0022676 k( 301) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022676 k( 302) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022676 k( 303) = ( 0.6197917 -0.0691618 0.4167535), wk = 0.0022676 k( 304) = ( 0.6145833 -0.0661547 0.4252586), wk = 0.0022676 k( 305) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0022676 k( 306) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0022676 k( 307) = ( 0.5989583 -0.0571336 0.4507742), wk = 0.0022676 k( 308) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0022676 k( 309) = ( 0.5885417 -0.0511196 0.4677845), wk = 0.0022676 k( 310) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0022676 k( 311) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0022676 k( 312) = ( 0.5729167 -0.0420985 0.4933000), wk = 0.0022676 k( 313) = ( 0.5677083 -0.0390914 0.5018052), wk = 0.0022676 k( 314) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0022676 k( 315) = ( 0.5572917 -0.0330774 0.5188155), wk = 0.0022676 k( 316) = ( 0.5520833 -0.0300703 0.5273207), wk = 0.0022676 k( 317) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0022676 k( 318) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0022676 k( 319) = ( 0.5364583 -0.0210492 0.5528362), wk = 0.0022676 k( 320) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0022676 k( 321) = ( 0.5260417 -0.0150352 0.5698466), wk = 0.0022676 k( 322) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0022676 k( 323) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0022676 k( 324) = ( 0.5104167 -0.0060141 0.5953621), wk = 0.0022676 k( 325) = ( 0.5052083 -0.0030070 0.6038673), wk = 0.0022676 k( 326) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022676 k( 327) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022676 k( 328) = ( 0.5000000 0.0061420 0.6036863), wk = 0.0022676 k( 329) = ( 0.5000000 0.0122841 0.5950002), wk = 0.0022676 k( 330) = ( 0.5000000 0.0184261 0.5863140), wk = 0.0022676 k( 331) = ( 0.5000000 0.0245681 0.5776279), wk = 0.0022676 k( 332) = ( 0.5000000 0.0307101 0.5689418), wk = 0.0022676 k( 333) = ( 0.5000000 0.0368521 0.5602556), wk = 0.0022676 k( 334) = ( 0.5000000 0.0429942 0.5515695), wk = 0.0022676 k( 335) = ( 0.5000000 0.0491362 0.5428834), wk = 0.0022676 k( 336) = ( 0.5000000 0.0552782 0.5341972), wk = 0.0022676 k( 337) = ( 0.5000000 0.0614202 0.5255111), wk = 0.0022676 k( 338) = ( 0.5000000 0.0675623 0.5168250), wk = 0.0022676 k( 339) = ( 0.5000000 0.0737043 0.5081388), wk = 0.0022676 k( 340) = ( 0.5000000 0.0798463 0.4994527), wk = 0.0022676 k( 341) = ( 0.5000000 0.0859883 0.4907666), wk = 0.0022676 k( 342) = ( 0.5000000 0.0921304 0.4820804), wk = 0.0022676 k( 343) = ( 0.5000000 0.0982724 0.4733943), wk = 0.0022676 k( 344) = ( 0.5000000 0.1044144 0.4647082), wk = 0.0022676 k( 345) = ( 0.5000000 0.1105564 0.4560220), wk = 0.0022676 k( 346) = ( 0.5000000 0.1166985 0.4473359), wk = 0.0022676 k( 347) = ( 0.5000000 0.1228405 0.4386498), wk = 0.0022676 k( 348) = ( 0.5000000 0.1289825 0.4299636), wk = 0.0022676 k( 349) = ( 0.5000000 0.1351245 0.4212775), wk = 0.0022676 k( 350) = ( 0.5000000 0.1412666 0.4125914), wk = 0.0022676 k( 351) = ( 0.5000000 0.1474086 0.4039052), wk = 0.0022676 k( 352) = ( 0.5000000 0.1535506 0.3952191), wk = 0.0022676 k( 353) = ( 0.5000000 0.1596926 0.3865330), wk = 0.0022676 k( 354) = ( 0.5000000 0.1658347 0.3778468), wk = 0.0022676 k( 355) = ( 0.5000000 0.1719767 0.3691607), wk = 0.0022676 k( 356) = ( 0.5000000 0.1781187 0.3604746), wk = 0.0022676 k( 357) = ( 0.5000000 0.1842607 0.3517884), wk = 0.0022676 k( 358) = ( 0.5000000 0.1904028 0.3431023), wk = 0.0022676 k( 359) = ( 0.5000000 0.1965448 0.3344161), wk = 0.0022676 k( 360) = ( 0.5000000 0.2026868 0.3257300), wk = 0.0022676 k( 361) = ( 0.5000000 0.2088288 0.3170439), wk = 0.0022676 k( 362) = ( 0.5000000 0.2149708 0.3083578), wk = 0.0022676 k( 363) = ( 0.5000000 0.2211129 0.2996716), wk = 0.0022676 k( 364) = ( 0.5000000 0.2272549 0.2909855), wk = 0.0022676 k( 365) = ( 0.5000000 0.2333969 0.2822993), wk = 0.0022676 k( 366) = ( 0.5000000 0.2395389 0.2736132), wk = 0.0022676 k( 367) = ( 0.5000000 0.2456810 0.2649271), wk = 0.0022676 k( 368) = ( 0.5000000 0.2518230 0.2562409), wk = 0.0022676 k( 369) = ( 0.5000000 0.2579650 0.2475548), wk = 0.0022676 k( 370) = ( 0.5000000 0.2641070 0.2388687), wk = 0.0022676 k( 371) = ( 0.5000000 0.2702491 0.2301826), wk = 0.0022676 k( 372) = ( 0.5000000 0.2763911 0.2214964), wk = 0.0022676 k( 373) = ( 0.5000000 0.2825331 0.2128103), wk = 0.0022676 k( 374) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022676 k( 375) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022676 k( 376) = ( 0.4969512 0.2869149 0.2140814), wk = 0.0022676 k( 377) = ( 0.4939024 0.2851547 0.2240387), wk = 0.0022676 k( 378) = ( 0.4908537 0.2833945 0.2339960), wk = 0.0022676 k( 379) = ( 0.4878049 0.2816343 0.2439532), wk = 0.0022676 k( 380) = ( 0.4847561 0.2798741 0.2539105), wk = 0.0022676 k( 381) = ( 0.4817073 0.2781139 0.2638678), wk = 0.0022676 k( 382) = ( 0.4786585 0.2763536 0.2738251), wk = 0.0022676 k( 383) = ( 0.4756098 0.2745934 0.2837823), wk = 0.0022676 k( 384) = ( 0.4725610 0.2728332 0.2937396), wk = 0.0022676 k( 385) = ( 0.4695122 0.2710730 0.3036969), wk = 0.0022676 k( 386) = ( 0.4664634 0.2693128 0.3136542), wk = 0.0022676 k( 387) = ( 0.4634146 0.2675526 0.3236115), wk = 0.0022676 k( 388) = ( 0.4603659 0.2657923 0.3335687), wk = 0.0022676 k( 389) = ( 0.4573171 0.2640321 0.3435260), wk = 0.0022676 k( 390) = ( 0.4542683 0.2622719 0.3534833), wk = 0.0022676 k( 391) = ( 0.4512195 0.2605117 0.3634406), wk = 0.0022676 k( 392) = ( 0.4481707 0.2587515 0.3733978), wk = 0.0022676 k( 393) = ( 0.4451219 0.2569913 0.3833551), wk = 0.0022676 k( 394) = ( 0.4420732 0.2552311 0.3933124), wk = 0.0022676 k( 395) = ( 0.4390244 0.2534708 0.4032697), wk = 0.0022676 k( 396) = ( 0.4359756 0.2517106 0.4132269), wk = 0.0022676 k( 397) = ( 0.4329268 0.2499504 0.4231842), wk = 0.0022676 k( 398) = ( 0.4298781 0.2481902 0.4331415), wk = 0.0022676 k( 399) = ( 0.4268293 0.2464300 0.4430987), wk = 0.0022676 k( 400) = ( 0.4237805 0.2446698 0.4530560), wk = 0.0022676 k( 401) = ( 0.4207317 0.2429096 0.4630133), wk = 0.0022676 k( 402) = ( 0.4176829 0.2411494 0.4729706), wk = 0.0022676 k( 403) = ( 0.4146341 0.2393891 0.4829279), wk = 0.0022676 k( 404) = ( 0.4115854 0.2376289 0.4928851), wk = 0.0022676 k( 405) = ( 0.4085366 0.2358687 0.5028424), wk = 0.0022676 k( 406) = ( 0.4054878 0.2341085 0.5127997), wk = 0.0022676 k( 407) = ( 0.4024390 0.2323483 0.5227570), wk = 0.0022676 k( 408) = ( 0.3993902 0.2305881 0.5327142), wk = 0.0022676 k( 409) = ( 0.3963415 0.2288278 0.5426715), wk = 0.0022676 k( 410) = ( 0.3932927 0.2270676 0.5526288), wk = 0.0022676 k( 411) = ( 0.3902439 0.2253074 0.5625861), wk = 0.0022676 k( 412) = ( 0.3871951 0.2235472 0.5725433), wk = 0.0022676 k( 413) = ( 0.3841463 0.2217870 0.5825006), wk = 0.0022676 k( 414) = ( 0.3810976 0.2200268 0.5924579), wk = 0.0022676 k( 415) = ( 0.3780488 0.2182666 0.6024152), wk = 0.0022676 k( 416) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022676 k( 417) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022676 k( 418) = ( 0.6197917 -0.0811899 0.4082483), wk = 0.0022676 k( 419) = ( 0.6145833 -0.0902110 0.4082483), wk = 0.0022676 k( 420) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0022676 k( 421) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0022676 k( 422) = ( 0.5989583 -0.1172743 0.4082483), wk = 0.0022676 k( 423) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0022676 k( 424) = ( 0.5885417 -0.1353165 0.4082483), wk = 0.0022676 k( 425) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0022676 k( 426) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0022676 k( 427) = ( 0.5729167 -0.1623798 0.4082483), wk = 0.0022676 k( 428) = ( 0.5677083 -0.1714009 0.4082483), wk = 0.0022676 k( 429) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0022676 k( 430) = ( 0.5572917 -0.1894431 0.4082483), wk = 0.0022676 k( 431) = ( 0.5520833 -0.1984641 0.4082483), wk = 0.0022676 k( 432) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0022676 k( 433) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0022676 k( 434) = ( 0.5364583 -0.2255274 0.4082483), wk = 0.0022676 k( 435) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0022676 k( 436) = ( 0.5260417 -0.2435697 0.4082483), wk = 0.0022676 k( 437) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0022676 k( 438) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0022676 k( 439) = ( 0.5104167 -0.2706329 0.4082483), wk = 0.0022676 k( 440) = ( 0.5052083 -0.2796540 0.4082483), wk = 0.0022676 k( 441) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022676 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 2) = ( 0.0074627 -0.0000000 0.0074627), wk = 0.0022676 k( 3) = ( 0.0149254 -0.0000000 0.0149254), wk = 0.0022676 k( 4) = ( 0.0223881 0.0000000 0.0223881), wk = 0.0022676 k( 5) = ( 0.0298507 -0.0000000 0.0298508), wk = 0.0022676 k( 6) = ( 0.0373134 -0.0000000 0.0373134), wk = 0.0022676 k( 7) = ( 0.0447761 0.0000000 0.0447761), wk = 0.0022676 k( 8) = ( 0.0522388 -0.0000000 0.0522388), wk = 0.0022676 k( 9) = ( 0.0597015 -0.0000000 0.0597015), wk = 0.0022676 k( 10) = ( 0.0671642 -0.0000000 0.0671642), wk = 0.0022676 k( 11) = ( 0.0746269 -0.0000000 0.0746269), wk = 0.0022676 k( 12) = ( 0.0820895 -0.0000000 0.0820896), wk = 0.0022676 k( 13) = ( 0.0895522 0.0000000 0.0895522), wk = 0.0022676 k( 14) = ( 0.0970149 -0.0000000 0.0970149), wk = 0.0022676 k( 15) = ( 0.1044776 -0.0000000 0.1044776), wk = 0.0022676 k( 16) = ( 0.1119403 -0.0000000 0.1119403), wk = 0.0022676 k( 17) = ( 0.1194030 -0.0000000 0.1194030), wk = 0.0022676 k( 18) = ( 0.1268657 -0.0000000 0.1268657), wk = 0.0022676 k( 19) = ( 0.1343284 -0.0000000 0.1343284), wk = 0.0022676 k( 20) = ( 0.1417910 -0.0000000 0.1417910), wk = 0.0022676 k( 21) = ( 0.1492537 -0.0000000 0.1492537), wk = 0.0022676 k( 22) = ( 0.1567164 -0.0000000 0.1567164), wk = 0.0022676 k( 23) = ( 0.1641791 -0.0000000 0.1641791), wk = 0.0022676 k( 24) = ( 0.1716418 -0.0000000 0.1716418), wk = 0.0022676 k( 25) = ( 0.1791045 0.0000000 0.1791045), wk = 0.0022676 k( 26) = ( 0.1865672 -0.0000000 0.1865672), wk = 0.0022676 k( 27) = ( 0.1940299 -0.0000000 0.1940299), wk = 0.0022676 k( 28) = ( 0.2014925 0.0000000 0.2014925), wk = 0.0022676 k( 29) = ( 0.2089552 -0.0000000 0.2089552), wk = 0.0022676 k( 30) = ( 0.2164179 -0.0000000 0.2164179), wk = 0.0022676 k( 31) = ( 0.2238806 -0.0000000 0.2238806), wk = 0.0022676 k( 32) = ( 0.2313433 -0.0000000 0.2313433), wk = 0.0022676 k( 33) = ( 0.2388060 -0.0000000 0.2388060), wk = 0.0022676 k( 34) = ( 0.2462687 -0.0000000 0.2462687), wk = 0.0022676 k( 35) = ( 0.2537313 -0.0000000 0.2537313), wk = 0.0022676 k( 36) = ( 0.2611940 -0.0000000 0.2611940), wk = 0.0022676 k( 37) = ( 0.2686567 -0.0000000 0.2686567), wk = 0.0022676 k( 38) = ( 0.2761194 -0.0000000 0.2761194), wk = 0.0022676 k( 39) = ( 0.2835821 -0.0000000 0.2835821), wk = 0.0022676 k( 40) = ( 0.2910448 -0.0000000 0.2910448), wk = 0.0022676 k( 41) = ( 0.2985075 -0.0000000 0.2985075), wk = 0.0022676 k( 42) = ( 0.3059701 -0.0000000 0.3059701), wk = 0.0022676 k( 43) = ( 0.3134328 -0.0000000 0.3134328), wk = 0.0022676 k( 44) = ( 0.3208955 -0.0000000 0.3208955), wk = 0.0022676 k( 45) = ( 0.3283582 -0.0000000 0.3283582), wk = 0.0022676 k( 46) = ( 0.3358209 -0.0000000 0.3358209), wk = 0.0022676 k( 47) = ( 0.3432836 -0.0000000 0.3432836), wk = 0.0022676 k( 48) = ( 0.3507463 -0.0000000 0.3507463), wk = 0.0022676 k( 49) = ( 0.3582090 0.0000000 0.3582090), wk = 0.0022676 k( 50) = ( 0.3656716 -0.0000000 0.3656716), wk = 0.0022676 k( 51) = ( 0.3731343 -0.0000000 0.3731343), wk = 0.0022676 k( 52) = ( 0.3805970 0.0000000 0.3805970), wk = 0.0022676 k( 53) = ( 0.3880597 -0.0000000 0.3880597), wk = 0.0022676 k( 54) = ( 0.3955224 -0.0000000 0.3955224), wk = 0.0022676 k( 55) = ( 0.4029851 -0.0000000 0.4029851), wk = 0.0022676 k( 56) = ( 0.4104478 0.0000000 0.4104478), wk = 0.0022676 k( 57) = ( 0.4179104 -0.0000000 0.4179104), wk = 0.0022676 k( 58) = ( 0.4253731 -0.0000000 0.4253731), wk = 0.0022676 k( 59) = ( 0.4328358 -0.0000000 0.4328358), wk = 0.0022676 k( 60) = ( 0.4402985 -0.0000000 0.4402985), wk = 0.0022676 k( 61) = ( 0.4477612 -0.0000000 0.4477612), wk = 0.0022676 k( 62) = ( 0.4552239 -0.0000000 0.4552239), wk = 0.0022676 k( 63) = ( 0.4626866 -0.0000000 0.4626866), wk = 0.0022676 k( 64) = ( 0.4701493 -0.0000000 0.4701492), wk = 0.0022676 k( 65) = ( 0.4776119 -0.0000000 0.4776119), wk = 0.0022676 k( 66) = ( 0.4850746 -0.0000000 0.4850746), wk = 0.0022676 k( 67) = ( 0.4925373 -0.0000000 0.4925373), wk = 0.0022676 k( 68) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022676 k( 69) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022676 k( 70) = ( 0.5000000 0.0073529 0.5073529), wk = 0.0022676 k( 71) = ( 0.5000000 0.0147059 0.5147059), wk = 0.0022676 k( 72) = ( 0.5000000 0.0220588 0.5220588), wk = 0.0022676 k( 73) = ( 0.5000000 0.0294118 0.5294118), wk = 0.0022676 k( 74) = ( 0.5000000 0.0367647 0.5367647), wk = 0.0022676 k( 75) = ( 0.5000000 0.0441176 0.5441177), wk = 0.0022676 k( 76) = ( 0.5000000 0.0514706 0.5514706), wk = 0.0022676 k( 77) = ( 0.5000000 0.0588235 0.5588235), wk = 0.0022676 k( 78) = ( 0.5000000 0.0661765 0.5661765), wk = 0.0022676 k( 79) = ( 0.5000000 0.0735294 0.5735294), wk = 0.0022676 k( 80) = ( 0.5000000 0.0808823 0.5808823), wk = 0.0022676 k( 81) = ( 0.5000000 0.0882353 0.5882353), wk = 0.0022676 k( 82) = ( 0.5000000 0.0955882 0.5955882), wk = 0.0022676 k( 83) = ( 0.5000000 0.1029412 0.6029412), wk = 0.0022676 k( 84) = ( 0.5000000 0.1102941 0.6102941), wk = 0.0022676 k( 85) = ( 0.5000000 0.1176471 0.6176471), wk = 0.0022676 k( 86) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0022676 k( 87) = ( 0.5000000 0.1323529 0.6323529), wk = 0.0022676 k( 88) = ( 0.5000000 0.1397059 0.6397059), wk = 0.0022676 k( 89) = ( 0.5000000 0.1470588 0.6470588), wk = 0.0022676 k( 90) = ( 0.5000000 0.1544118 0.6544118), wk = 0.0022676 k( 91) = ( 0.5000000 0.1617647 0.6617647), wk = 0.0022676 k( 92) = ( 0.5000000 0.1691176 0.6691177), wk = 0.0022676 k( 93) = ( 0.5000000 0.1764706 0.6764706), wk = 0.0022676 k( 94) = ( 0.5000000 0.1838235 0.6838235), wk = 0.0022676 k( 95) = ( 0.5000000 0.1911765 0.6911765), wk = 0.0022676 k( 96) = ( 0.5000000 0.1985294 0.6985294), wk = 0.0022676 k( 97) = ( 0.5000000 0.2058823 0.7058823), wk = 0.0022676 k( 98) = ( 0.5000000 0.2132353 0.7132353), wk = 0.0022676 k( 99) = ( 0.5000000 0.2205882 0.7205882), wk = 0.0022676 k( 100) = ( 0.5000000 0.2279412 0.7279412), wk = 0.0022676 k( 101) = ( 0.5000000 0.2352941 0.7352941), wk = 0.0022676 k( 102) = ( 0.5000000 0.2426471 0.7426471), wk = 0.0022676 k( 103) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022676 k( 104) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022676 k( 105) = ( 0.4947917 0.2552083 0.7500000), wk = 0.0022676 k( 106) = ( 0.4895833 0.2604167 0.7500000), wk = 0.0022676 k( 107) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0022676 k( 108) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0022676 k( 109) = ( 0.4739583 0.2760417 0.7500000), wk = 0.0022676 k( 110) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0022676 k( 111) = ( 0.4635417 0.2864583 0.7500000), wk = 0.0022676 k( 112) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0022676 k( 113) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0022676 k( 114) = ( 0.4479167 0.3020833 0.7500000), wk = 0.0022676 k( 115) = ( 0.4427083 0.3072917 0.7500000), wk = 0.0022676 k( 116) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0022676 k( 117) = ( 0.4322917 0.3177083 0.7500000), wk = 0.0022676 k( 118) = ( 0.4270833 0.3229167 0.7500000), wk = 0.0022676 k( 119) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0022676 k( 120) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0022676 k( 121) = ( 0.4114583 0.3385417 0.7500000), wk = 0.0022676 k( 122) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0022676 k( 123) = ( 0.4010417 0.3489583 0.7500000), wk = 0.0022676 k( 124) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0022676 k( 125) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0022676 k( 126) = ( 0.3854167 0.3645833 0.7500000), wk = 0.0022676 k( 127) = ( 0.3802083 0.3697917 0.7500000), wk = 0.0022676 k( 128) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022676 k( 129) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022676 k( 130) = ( 0.3697183 0.3697183 0.7394366), wk = 0.0022676 k( 131) = ( 0.3644366 0.3644366 0.7288732), wk = 0.0022676 k( 132) = ( 0.3591549 0.3591549 0.7183099), wk = 0.0022676 k( 133) = ( 0.3538732 0.3538732 0.7077465), wk = 0.0022676 k( 134) = ( 0.3485915 0.3485915 0.6971831), wk = 0.0022676 k( 135) = ( 0.3433099 0.3433099 0.6866197), wk = 0.0022676 k( 136) = ( 0.3380282 0.3380282 0.6760563), wk = 0.0022676 k( 137) = ( 0.3327465 0.3327465 0.6654930), wk = 0.0022676 k( 138) = ( 0.3274648 0.3274648 0.6549296), wk = 0.0022676 k( 139) = ( 0.3221831 0.3221831 0.6443662), wk = 0.0022676 k( 140) = ( 0.3169014 0.3169014 0.6338028), wk = 0.0022676 k( 141) = ( 0.3116197 0.3116197 0.6232394), wk = 0.0022676 k( 142) = ( 0.3063380 0.3063380 0.6126761), wk = 0.0022676 k( 143) = ( 0.3010563 0.3010563 0.6021127), wk = 0.0022676 k( 144) = ( 0.2957746 0.2957746 0.5915493), wk = 0.0022676 k( 145) = ( 0.2904930 0.2904930 0.5809859), wk = 0.0022676 k( 146) = ( 0.2852113 0.2852113 0.5704225), wk = 0.0022676 k( 147) = ( 0.2799296 0.2799296 0.5598591), wk = 0.0022676 k( 148) = ( 0.2746479 0.2746479 0.5492958), wk = 0.0022676 k( 149) = ( 0.2693662 0.2693662 0.5387324), wk = 0.0022676 k( 150) = ( 0.2640845 0.2640845 0.5281690), wk = 0.0022676 k( 151) = ( 0.2588028 0.2588028 0.5176056), wk = 0.0022676 k( 152) = ( 0.2535211 0.2535211 0.5070423), wk = 0.0022676 k( 153) = ( 0.2482394 0.2482394 0.4964789), wk = 0.0022676 k( 154) = ( 0.2429578 0.2429577 0.4859155), wk = 0.0022676 k( 155) = ( 0.2376761 0.2376761 0.4753521), wk = 0.0022676 k( 156) = ( 0.2323944 0.2323944 0.4647887), wk = 0.0022676 k( 157) = ( 0.2271127 0.2271127 0.4542254), wk = 0.0022676 k( 158) = ( 0.2218310 0.2218310 0.4436620), wk = 0.0022676 k( 159) = ( 0.2165493 0.2165493 0.4330986), wk = 0.0022676 k( 160) = ( 0.2112676 0.2112676 0.4225352), wk = 0.0022676 k( 161) = ( 0.2059859 0.2059859 0.4119718), wk = 0.0022676 k( 162) = ( 0.2007042 0.2007042 0.4014085), wk = 0.0022676 k( 163) = ( 0.1954225 0.1954225 0.3908451), wk = 0.0022676 k( 164) = ( 0.1901409 0.1901409 0.3802817), wk = 0.0022676 k( 165) = ( 0.1848591 0.1848591 0.3697183), wk = 0.0022676 k( 166) = ( 0.1795775 0.1795775 0.3591549), wk = 0.0022676 k( 167) = ( 0.1742958 0.1742958 0.3485915), wk = 0.0022676 k( 168) = ( 0.1690141 0.1690141 0.3380282), wk = 0.0022676 k( 169) = ( 0.1637324 0.1637324 0.3274648), wk = 0.0022676 k( 170) = ( 0.1584507 0.1584507 0.3169014), wk = 0.0022676 k( 171) = ( 0.1531690 0.1531690 0.3063380), wk = 0.0022676 k( 172) = ( 0.1478873 0.1478873 0.2957746), wk = 0.0022676 k( 173) = ( 0.1426056 0.1426056 0.2852113), wk = 0.0022676 k( 174) = ( 0.1373239 0.1373239 0.2746479), wk = 0.0022676 k( 175) = ( 0.1320422 0.1320422 0.2640845), wk = 0.0022676 k( 176) = ( 0.1267606 0.1267606 0.2535211), wk = 0.0022676 k( 177) = ( 0.1214789 0.1214789 0.2429577), wk = 0.0022676 k( 178) = ( 0.1161972 0.1161972 0.2323944), wk = 0.0022676 k( 179) = ( 0.1109155 0.1109155 0.2218310), wk = 0.0022676 k( 180) = ( 0.1056338 0.1056338 0.2112676), wk = 0.0022676 k( 181) = ( 0.1003521 0.1003521 0.2007042), wk = 0.0022676 k( 182) = ( 0.0950704 0.0950704 0.1901409), wk = 0.0022676 k( 183) = ( 0.0897887 0.0897887 0.1795775), wk = 0.0022676 k( 184) = ( 0.0845070 0.0845070 0.1690141), wk = 0.0022676 k( 185) = ( 0.0792253 0.0792253 0.1584507), wk = 0.0022676 k( 186) = ( 0.0739437 0.0739437 0.1478873), wk = 0.0022676 k( 187) = ( 0.0686620 0.0686620 0.1373239), wk = 0.0022676 k( 188) = ( 0.0633803 0.0633803 0.1267606), wk = 0.0022676 k( 189) = ( 0.0580986 0.0580986 0.1161972), wk = 0.0022676 k( 190) = ( 0.0528169 0.0528169 0.1056338), wk = 0.0022676 k( 191) = ( 0.0475352 0.0475352 0.0950704), wk = 0.0022676 k( 192) = ( 0.0422535 0.0422535 0.0845070), wk = 0.0022676 k( 193) = ( 0.0369718 0.0369718 0.0739437), wk = 0.0022676 k( 194) = ( 0.0316901 0.0316901 0.0633803), wk = 0.0022676 k( 195) = ( 0.0264084 0.0264084 0.0528169), wk = 0.0022676 k( 196) = ( 0.0211268 0.0211268 0.0422535), wk = 0.0022676 k( 197) = ( 0.0158451 0.0158451 0.0316901), wk = 0.0022676 k( 198) = ( 0.0105634 0.0105634 0.0211268), wk = 0.0022676 k( 199) = ( 0.0052817 0.0052817 0.0105634), wk = 0.0022676 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 202) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0022676 k( 203) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0022676 k( 204) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0022676 k( 205) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0022676 k( 206) = ( 0.0431035 0.0431035 0.0431035), wk = 0.0022676 k( 207) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0022676 k( 208) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0022676 k( 209) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0022676 k( 210) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0022676 k( 211) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0022676 k( 212) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0022676 k( 213) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0022676 k( 214) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0022676 k( 215) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0022676 k( 216) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0022676 k( 217) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0022676 k( 218) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0022676 k( 219) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0022676 k( 220) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0022676 k( 221) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0022676 k( 222) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0022676 k( 223) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0022676 k( 224) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0022676 k( 225) = ( 0.2068966 0.2068966 0.2068965), wk = 0.0022676 k( 226) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0022676 k( 227) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0022676 k( 228) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0022676 k( 229) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0022676 k( 230) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022676 k( 231) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0022676 k( 232) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0022676 k( 233) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0022676 k( 234) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0022676 k( 235) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0022676 k( 236) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0022676 k( 237) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0022676 k( 238) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0022676 k( 239) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0022676 k( 240) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0022676 k( 241) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0022676 k( 242) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0022676 k( 243) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0022676 k( 244) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0022676 k( 245) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0022676 k( 246) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0022676 k( 247) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0022676 k( 248) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0022676 k( 249) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0022676 k( 250) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0022676 k( 251) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0022676 k( 252) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0022676 k( 253) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0022676 k( 254) = ( 0.4568966 0.4568965 0.4568966), wk = 0.0022676 k( 255) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0022676 k( 256) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0022676 k( 257) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0022676 k( 258) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0022676 k( 259) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 261) = ( 0.5030488 0.4939024 0.5030488), wk = 0.0022676 k( 262) = ( 0.5060976 0.4878049 0.5060976), wk = 0.0022676 k( 263) = ( 0.5091463 0.4817073 0.5091463), wk = 0.0022676 k( 264) = ( 0.5121951 0.4756098 0.5121951), wk = 0.0022676 k( 265) = ( 0.5152439 0.4695122 0.5152439), wk = 0.0022676 k( 266) = ( 0.5182927 0.4634146 0.5182927), wk = 0.0022676 k( 267) = ( 0.5213415 0.4573171 0.5213415), wk = 0.0022676 k( 268) = ( 0.5243902 0.4512195 0.5243902), wk = 0.0022676 k( 269) = ( 0.5274390 0.4451219 0.5274390), wk = 0.0022676 k( 270) = ( 0.5304878 0.4390244 0.5304878), wk = 0.0022676 k( 271) = ( 0.5335366 0.4329268 0.5335366), wk = 0.0022676 k( 272) = ( 0.5365854 0.4268293 0.5365854), wk = 0.0022676 k( 273) = ( 0.5396342 0.4207317 0.5396342), wk = 0.0022676 k( 274) = ( 0.5426829 0.4146341 0.5426829), wk = 0.0022676 k( 275) = ( 0.5457317 0.4085366 0.5457317), wk = 0.0022676 k( 276) = ( 0.5487805 0.4024390 0.5487805), wk = 0.0022676 k( 277) = ( 0.5518293 0.3963415 0.5518293), wk = 0.0022676 k( 278) = ( 0.5548781 0.3902439 0.5548781), wk = 0.0022676 k( 279) = ( 0.5579268 0.3841463 0.5579268), wk = 0.0022676 k( 280) = ( 0.5609756 0.3780488 0.5609756), wk = 0.0022676 k( 281) = ( 0.5640244 0.3719512 0.5640244), wk = 0.0022676 k( 282) = ( 0.5670732 0.3658537 0.5670732), wk = 0.0022676 k( 283) = ( 0.5701219 0.3597561 0.5701219), wk = 0.0022676 k( 284) = ( 0.5731707 0.3536585 0.5731707), wk = 0.0022676 k( 285) = ( 0.5762195 0.3475610 0.5762195), wk = 0.0022676 k( 286) = ( 0.5792683 0.3414634 0.5792683), wk = 0.0022676 k( 287) = ( 0.5823171 0.3353658 0.5823171), wk = 0.0022676 k( 288) = ( 0.5853658 0.3292683 0.5853658), wk = 0.0022676 k( 289) = ( 0.5884146 0.3231707 0.5884146), wk = 0.0022676 k( 290) = ( 0.5914634 0.3170732 0.5914634), wk = 0.0022676 k( 291) = ( 0.5945122 0.3109756 0.5945122), wk = 0.0022676 k( 292) = ( 0.5975610 0.3048780 0.5975610), wk = 0.0022676 k( 293) = ( 0.6006098 0.2987805 0.6006098), wk = 0.0022676 k( 294) = ( 0.6036585 0.2926829 0.6036585), wk = 0.0022676 k( 295) = ( 0.6067073 0.2865854 0.6067073), wk = 0.0022676 k( 296) = ( 0.6097561 0.2804878 0.6097561), wk = 0.0022676 k( 297) = ( 0.6128049 0.2743902 0.6128049), wk = 0.0022676 k( 298) = ( 0.6158537 0.2682927 0.6158537), wk = 0.0022676 k( 299) = ( 0.6189024 0.2621951 0.6189024), wk = 0.0022676 k( 300) = ( 0.6219512 0.2560976 0.6219512), wk = 0.0022676 k( 301) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022676 k( 302) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022676 k( 303) = ( 0.6197917 0.2500000 0.6302083), wk = 0.0022676 k( 304) = ( 0.6145833 0.2500000 0.6354167), wk = 0.0022676 k( 305) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0022676 k( 306) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0022676 k( 307) = ( 0.5989583 0.2500000 0.6510417), wk = 0.0022676 k( 308) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0022676 k( 309) = ( 0.5885417 0.2500000 0.6614583), wk = 0.0022676 k( 310) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0022676 k( 311) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0022676 k( 312) = ( 0.5729167 0.2500000 0.6770833), wk = 0.0022676 k( 313) = ( 0.5677083 0.2500000 0.6822917), wk = 0.0022676 k( 314) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0022676 k( 315) = ( 0.5572917 0.2500000 0.6927083), wk = 0.0022676 k( 316) = ( 0.5520833 0.2500000 0.6979167), wk = 0.0022676 k( 317) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0022676 k( 318) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0022676 k( 319) = ( 0.5364583 0.2500000 0.7135417), wk = 0.0022676 k( 320) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0022676 k( 321) = ( 0.5260417 0.2500000 0.7239583), wk = 0.0022676 k( 322) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0022676 k( 323) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0022676 k( 324) = ( 0.5104167 0.2500000 0.7395833), wk = 0.0022676 k( 325) = ( 0.5052083 0.2500000 0.7447917), wk = 0.0022676 k( 326) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022676 k( 327) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022676 k( 328) = ( 0.5000000 0.2553191 0.7446808), wk = 0.0022676 k( 329) = ( 0.5000000 0.2606383 0.7393617), wk = 0.0022676 k( 330) = ( 0.5000000 0.2659574 0.7340425), wk = 0.0022676 k( 331) = ( 0.5000000 0.2712766 0.7287234), wk = 0.0022676 k( 332) = ( 0.5000000 0.2765957 0.7234043), wk = 0.0022676 k( 333) = ( 0.5000000 0.2819149 0.7180851), wk = 0.0022676 k( 334) = ( 0.5000000 0.2872340 0.7127660), wk = 0.0022676 k( 335) = ( 0.5000000 0.2925532 0.7074468), wk = 0.0022676 k( 336) = ( 0.5000000 0.2978723 0.7021277), wk = 0.0022676 k( 337) = ( 0.5000000 0.3031915 0.6968085), wk = 0.0022676 k( 338) = ( 0.5000000 0.3085106 0.6914894), wk = 0.0022676 k( 339) = ( 0.5000000 0.3138298 0.6861702), wk = 0.0022676 k( 340) = ( 0.5000000 0.3191489 0.6808511), wk = 0.0022676 k( 341) = ( 0.5000000 0.3244681 0.6755319), wk = 0.0022676 k( 342) = ( 0.5000000 0.3297872 0.6702128), wk = 0.0022676 k( 343) = ( 0.5000000 0.3351064 0.6648936), wk = 0.0022676 k( 344) = ( 0.5000000 0.3404255 0.6595745), wk = 0.0022676 k( 345) = ( 0.5000000 0.3457447 0.6542553), wk = 0.0022676 k( 346) = ( 0.5000000 0.3510638 0.6489362), wk = 0.0022676 k( 347) = ( 0.5000000 0.3563830 0.6436170), wk = 0.0022676 k( 348) = ( 0.5000000 0.3617021 0.6382979), wk = 0.0022676 k( 349) = ( 0.5000000 0.3670213 0.6329787), wk = 0.0022676 k( 350) = ( 0.5000000 0.3723404 0.6276596), wk = 0.0022676 k( 351) = ( 0.5000000 0.3776596 0.6223404), wk = 0.0022676 k( 352) = ( 0.5000000 0.3829787 0.6170213), wk = 0.0022676 k( 353) = ( 0.5000000 0.3882979 0.6117021), wk = 0.0022676 k( 354) = ( 0.5000000 0.3936170 0.6063830), wk = 0.0022676 k( 355) = ( 0.5000000 0.3989362 0.6010638), wk = 0.0022676 k( 356) = ( 0.5000000 0.4042553 0.5957447), wk = 0.0022676 k( 357) = ( 0.5000000 0.4095745 0.5904255), wk = 0.0022676 k( 358) = ( 0.5000000 0.4148936 0.5851064), wk = 0.0022676 k( 359) = ( 0.5000000 0.4202128 0.5797872), wk = 0.0022676 k( 360) = ( 0.5000000 0.4255319 0.5744681), wk = 0.0022676 k( 361) = ( 0.5000000 0.4308511 0.5691489), wk = 0.0022676 k( 362) = ( 0.5000000 0.4361702 0.5638298), wk = 0.0022676 k( 363) = ( 0.5000000 0.4414894 0.5585106), wk = 0.0022676 k( 364) = ( 0.5000000 0.4468085 0.5531915), wk = 0.0022676 k( 365) = ( 0.5000000 0.4521277 0.5478723), wk = 0.0022676 k( 366) = ( 0.5000000 0.4574468 0.5425532), wk = 0.0022676 k( 367) = ( 0.5000000 0.4627660 0.5372340), wk = 0.0022676 k( 368) = ( 0.5000000 0.4680851 0.5319149), wk = 0.0022676 k( 369) = ( 0.5000000 0.4734043 0.5265957), wk = 0.0022676 k( 370) = ( 0.5000000 0.4787234 0.5212766), wk = 0.0022676 k( 371) = ( 0.5000000 0.4840425 0.5159575), wk = 0.0022676 k( 372) = ( 0.5000000 0.4893617 0.5106383), wk = 0.0022676 k( 373) = ( 0.5000000 0.4946808 0.5053192), wk = 0.0022676 k( 374) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 375) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 376) = ( 0.4969512 0.4969512 0.5060976), wk = 0.0022676 k( 377) = ( 0.4939024 0.4939024 0.5121951), wk = 0.0022676 k( 378) = ( 0.4908537 0.4908537 0.5182927), wk = 0.0022676 k( 379) = ( 0.4878049 0.4878049 0.5243902), wk = 0.0022676 k( 380) = ( 0.4847561 0.4847561 0.5304878), wk = 0.0022676 k( 381) = ( 0.4817073 0.4817073 0.5365854), wk = 0.0022676 k( 382) = ( 0.4786585 0.4786585 0.5426829), wk = 0.0022676 k( 383) = ( 0.4756098 0.4756098 0.5487805), wk = 0.0022676 k( 384) = ( 0.4725610 0.4725610 0.5548781), wk = 0.0022676 k( 385) = ( 0.4695122 0.4695122 0.5609756), wk = 0.0022676 k( 386) = ( 0.4664634 0.4664634 0.5670732), wk = 0.0022676 k( 387) = ( 0.4634146 0.4634146 0.5731707), wk = 0.0022676 k( 388) = ( 0.4603659 0.4603659 0.5792683), wk = 0.0022676 k( 389) = ( 0.4573171 0.4573171 0.5853658), wk = 0.0022676 k( 390) = ( 0.4542683 0.4542683 0.5914634), wk = 0.0022676 k( 391) = ( 0.4512195 0.4512195 0.5975610), wk = 0.0022676 k( 392) = ( 0.4481707 0.4481707 0.6036585), wk = 0.0022676 k( 393) = ( 0.4451219 0.4451219 0.6097561), wk = 0.0022676 k( 394) = ( 0.4420732 0.4420732 0.6158537), wk = 0.0022676 k( 395) = ( 0.4390244 0.4390244 0.6219512), wk = 0.0022676 k( 396) = ( 0.4359756 0.4359756 0.6280488), wk = 0.0022676 k( 397) = ( 0.4329268 0.4329268 0.6341463), wk = 0.0022676 k( 398) = ( 0.4298781 0.4298781 0.6402439), wk = 0.0022676 k( 399) = ( 0.4268293 0.4268293 0.6463415), wk = 0.0022676 k( 400) = ( 0.4237805 0.4237805 0.6524390), wk = 0.0022676 k( 401) = ( 0.4207317 0.4207317 0.6585366), wk = 0.0022676 k( 402) = ( 0.4176829 0.4176829 0.6646342), wk = 0.0022676 k( 403) = ( 0.4146341 0.4146341 0.6707317), wk = 0.0022676 k( 404) = ( 0.4115854 0.4115854 0.6768293), wk = 0.0022676 k( 405) = ( 0.4085366 0.4085366 0.6829268), wk = 0.0022676 k( 406) = ( 0.4054878 0.4054878 0.6890244), wk = 0.0022676 k( 407) = ( 0.4024390 0.4024390 0.6951219), wk = 0.0022676 k( 408) = ( 0.3993902 0.3993902 0.7012195), wk = 0.0022676 k( 409) = ( 0.3963415 0.3963415 0.7073171), wk = 0.0022676 k( 410) = ( 0.3932927 0.3932927 0.7134146), wk = 0.0022676 k( 411) = ( 0.3902439 0.3902439 0.7195122), wk = 0.0022676 k( 412) = ( 0.3871951 0.3871951 0.7256098), wk = 0.0022676 k( 413) = ( 0.3841463 0.3841463 0.7317073), wk = 0.0022676 k( 414) = ( 0.3810976 0.3810976 0.7378049), wk = 0.0022676 k( 415) = ( 0.3780488 0.3780488 0.7439024), wk = 0.0022676 k( 416) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022676 k( 417) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022676 k( 418) = ( 0.6197917 0.2395833 0.6197917), wk = 0.0022676 k( 419) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0022676 k( 420) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0022676 k( 421) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0022676 k( 422) = ( 0.5989583 0.1979167 0.5989583), wk = 0.0022676 k( 423) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0022676 k( 424) = ( 0.5885417 0.1770833 0.5885417), wk = 0.0022676 k( 425) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0022676 k( 426) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0022676 k( 427) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0022676 k( 428) = ( 0.5677083 0.1354167 0.5677083), wk = 0.0022676 k( 429) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0022676 k( 430) = ( 0.5572917 0.1145833 0.5572917), wk = 0.0022676 k( 431) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0022676 k( 432) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0022676 k( 433) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0022676 k( 434) = ( 0.5364583 0.0729167 0.5364583), wk = 0.0022676 k( 435) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0022676 k( 436) = ( 0.5260417 0.0520833 0.5260417), wk = 0.0022676 k( 437) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0022676 k( 438) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0022676 k( 439) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0022676 k( 440) = ( 0.5052083 0.0104167 0.5052083), wk = 0.0022676 k( 441) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022676 Dense grid: 17933 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 6855 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 40, 16) NL pseudopotentials 0.01 Mb ( 20, 28) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 373) G-vector shells 0.00 Mb ( 150) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.04 Mb ( 40, 64) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.01 Mb ( 28, 2, 16) The potential is recalculated from file : ./BAs.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 38.3 secs Computing kpt #: 2 total cpu time spent up to now is 38.4 secs Computing kpt #: 3 total cpu time spent up to now is 38.5 secs Computing kpt #: 4 total cpu time spent up to now is 38.6 secs Computing kpt #: 5 total cpu time spent up to now is 38.6 secs Computing kpt #: 6 total cpu time spent up to now is 38.7 secs Computing kpt #: 7 total cpu time spent up to now is 38.8 secs Computing kpt #: 8 total cpu time spent up to now is 38.9 secs Computing kpt #: 9 total cpu time spent up to now is 39.0 secs Computing kpt #: 10 total cpu time spent up to now is 39.1 secs Computing kpt #: 11 total cpu time spent up to now is 39.1 secs Computing kpt #: 12 total cpu time spent up to now is 39.2 secs Computing kpt #: 13 total cpu time spent up to now is 39.3 secs Computing kpt #: 14 total cpu time spent up to now is 39.5 secs Computing kpt #: 15 total cpu time spent up to now is 39.6 secs Computing kpt #: 16 total cpu time spent up to now is 39.7 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 40.1 secs Computing kpt #: 22 total cpu time spent up to now is 40.2 secs Computing kpt #: 23 total cpu time spent up to now is 40.3 secs Computing kpt #: 24 total cpu time spent up to now is 40.4 secs Computing kpt #: 25 total cpu time spent up to now is 40.5 secs Computing kpt #: 26 total cpu time spent up to now is 40.6 secs Computing kpt #: 27 total cpu time spent up to now is 40.7 secs Computing kpt #: 28 total cpu time spent up to now is 40.8 secs Computing kpt #: 29 total cpu time spent up to now is 40.9 secs Computing kpt #: 30 total cpu time spent up to now is 41.0 secs Computing kpt #: 31 total cpu time spent up to now is 41.1 secs Computing kpt #: 32 total cpu time spent up to now is 41.2 secs Computing kpt #: 33 total cpu time spent up to now is 41.2 secs Computing kpt #: 34 total cpu time spent up to now is 41.3 secs Computing kpt #: 35 total cpu time spent up to now is 41.4 secs Computing kpt #: 36 total cpu time spent up to now is 41.5 secs Computing kpt #: 37 total cpu time spent up to now is 41.6 secs Computing kpt #: 38 total cpu time spent up to now is 41.7 secs Computing kpt #: 39 total cpu time spent up to now is 41.8 secs Computing kpt #: 40 total cpu time spent up to now is 41.9 secs Computing kpt #: 41 total cpu time spent up to now is 42.0 secs Computing kpt #: 42 total cpu time spent up to now is 42.1 secs Computing kpt #: 43 total cpu time spent up to now is 42.2 secs Computing kpt #: 44 total cpu time spent up to now is 42.2 secs Computing kpt #: 45 total cpu time spent up to now is 42.3 secs Computing kpt #: 46 total cpu time spent up to now is 42.4 secs Computing kpt #: 47 total cpu time spent up to now is 42.5 secs Computing kpt #: 48 total cpu time spent up to now is 42.6 secs Computing kpt #: 49 total cpu time spent up to now is 42.7 secs Computing kpt #: 50 total cpu time spent up to now is 42.8 secs Computing kpt #: 51 total cpu time spent up to now is 42.9 secs Computing kpt #: 52 total cpu time spent up to now is 43.0 secs Computing kpt #: 53 total cpu time spent up to now is 43.1 secs Computing kpt #: 54 total cpu time spent up to now is 43.2 secs Computing kpt #: 55 total cpu time spent up to now is 43.3 secs Computing kpt #: 56 total cpu time spent up to now is 43.4 secs Computing kpt #: 57 total cpu time spent up to now is 43.5 secs Computing kpt #: 58 total cpu time spent up to now is 43.6 secs Computing kpt #: 59 total cpu time spent up to now is 43.6 secs Computing kpt #: 60 total cpu time spent up to now is 43.7 secs Computing kpt #: 61 total cpu time spent up to now is 43.8 secs Computing kpt #: 62 total cpu time spent up to now is 43.9 secs Computing kpt #: 63 total cpu time spent up to now is 44.0 secs Computing kpt #: 64 total cpu time spent up to now is 44.1 secs Computing kpt #: 65 total cpu time spent up to now is 44.2 secs Computing kpt #: 66 total cpu time spent up to now is 44.3 secs Computing kpt #: 67 total cpu time spent up to now is 44.4 secs Computing kpt #: 68 total cpu time spent up to now is 44.5 secs Computing kpt #: 69 total cpu time spent up to now is 44.6 secs Computing kpt #: 70 total cpu time spent up to now is 44.7 secs Computing kpt #: 71 total cpu time spent up to now is 44.8 secs Computing kpt #: 72 total cpu time spent up to now is 44.9 secs Computing kpt #: 73 total cpu time spent up to now is 45.0 secs Computing kpt #: 74 total cpu time spent up to now is 45.1 secs Computing kpt #: 75 total cpu time spent up to now is 45.2 secs Computing kpt #: 76 total cpu time spent up to now is 45.3 secs Computing kpt #: 77 total cpu time spent up to now is 45.4 secs Computing kpt #: 78 total cpu time spent up to now is 45.5 secs Computing kpt #: 79 total cpu time spent up to now is 45.6 secs Computing kpt #: 80 total cpu time spent up to now is 45.7 secs Computing kpt #: 81 total cpu time spent up to now is 45.8 secs Computing kpt #: 82 total cpu time spent up to now is 45.9 secs Computing kpt #: 83 total cpu time spent up to now is 46.0 secs Computing kpt #: 84 total cpu time spent up to now is 46.1 secs Computing kpt #: 85 total cpu time spent up to now is 46.2 secs Computing kpt #: 86 total cpu time spent up to now is 46.3 secs Computing kpt #: 87 total cpu time spent up to now is 46.4 secs Computing kpt #: 88 total cpu time spent up to now is 46.6 secs Computing kpt #: 89 total cpu time spent up to now is 46.7 secs Computing kpt #: 90 total cpu time spent up to now is 46.8 secs Computing kpt #: 91 total cpu time spent up to now is 47.0 secs Computing kpt #: 92 total cpu time spent up to now is 47.1 secs Computing kpt #: 93 total cpu time spent up to now is 47.3 secs Computing kpt #: 94 total cpu time spent up to now is 47.4 secs Computing kpt #: 95 total cpu time spent up to now is 47.5 secs Computing kpt #: 96 total cpu time spent up to now is 47.7 secs Computing kpt #: 97 total cpu time spent up to now is 47.8 secs Computing kpt #: 98 total cpu time spent up to now is 48.0 secs Computing kpt #: 99 total cpu time spent up to now is 48.1 secs Computing kpt #: 100 total cpu time spent up to now is 48.2 secs Computing kpt #: 101 total cpu time spent up to now is 48.3 secs Computing kpt #: 102 total cpu time spent up to now is 48.5 secs Computing kpt #: 103 total cpu time spent up to now is 48.6 secs Computing kpt #: 104 total cpu time spent up to now is 48.8 secs Computing kpt #: 105 total cpu time spent up to now is 49.0 secs Computing kpt #: 106 total cpu time spent up to now is 49.1 secs Computing kpt #: 107 total cpu time spent up to now is 49.2 secs Computing kpt #: 108 total cpu time spent up to now is 49.4 secs Computing kpt #: 109 total cpu time spent up to now is 49.6 secs Computing kpt #: 110 total cpu time spent up to now is 49.7 secs Computing kpt #: 111 total cpu time spent up to now is 49.8 secs Computing kpt #: 112 total cpu time spent up to now is 50.0 secs Computing kpt #: 113 total cpu time spent up to now is 50.1 secs Computing kpt #: 114 total cpu time spent up to now is 50.2 secs Computing kpt #: 115 total cpu time spent up to now is 50.3 secs Computing kpt #: 116 total cpu time spent up to now is 50.4 secs Computing kpt #: 117 total cpu time spent up to now is 50.5 secs Computing kpt #: 118 total cpu time spent up to now is 50.6 secs Computing kpt #: 119 total cpu time spent up to now is 50.7 secs Computing kpt #: 120 total cpu time spent up to now is 50.8 secs Computing kpt #: 121 total cpu time spent up to now is 50.9 secs Computing kpt #: 122 total cpu time spent up to now is 51.0 secs Computing kpt #: 123 total cpu time spent up to now is 51.1 secs Computing kpt #: 124 total cpu time spent up to now is 51.2 secs Computing kpt #: 125 total cpu time spent up to now is 51.3 secs Computing kpt #: 126 total cpu time spent up to now is 51.5 secs Computing kpt #: 127 total cpu time spent up to now is 51.6 secs Computing kpt #: 128 total cpu time spent up to now is 51.7 secs Computing kpt #: 129 total cpu time spent up to now is 51.8 secs Computing kpt #: 130 total cpu time spent up to now is 51.9 secs Computing kpt #: 131 total cpu time spent up to now is 52.0 secs Computing kpt #: 132 total cpu time spent up to now is 52.1 secs Computing kpt #: 133 total cpu time spent up to now is 52.2 secs Computing kpt #: 134 total cpu time spent up to now is 52.3 secs Computing kpt #: 135 total cpu time spent up to now is 52.5 secs Computing kpt #: 136 total cpu time spent up to now is 52.6 secs Computing kpt #: 137 total cpu time spent up to now is 52.9 secs Computing kpt #: 138 total cpu time spent up to now is 53.1 secs Computing kpt #: 139 total cpu time spent up to now is 53.2 secs Computing kpt #: 140 total cpu time spent up to now is 53.4 secs Computing kpt #: 141 total cpu time spent up to now is 53.6 secs Computing kpt #: 142 total cpu time spent up to now is 53.7 secs Computing kpt #: 143 total cpu time spent up to now is 53.8 secs Computing kpt #: 144 total cpu time spent up to now is 53.9 secs Computing kpt #: 145 total cpu time spent up to now is 54.1 secs Computing kpt #: 146 total cpu time spent up to now is 54.2 secs Computing kpt #: 147 total cpu time spent up to now is 54.4 secs Computing kpt #: 148 total cpu time spent up to now is 54.5 secs Computing kpt #: 149 total cpu time spent up to now is 54.6 secs Computing kpt #: 150 total cpu time spent up to now is 54.7 secs Computing kpt #: 151 total cpu time spent up to now is 54.8 secs Computing kpt #: 152 total cpu time spent up to now is 54.9 secs Computing kpt #: 153 total cpu time spent up to now is 55.0 secs Computing kpt #: 154 total cpu time spent up to now is 55.1 secs Computing kpt #: 155 total cpu time spent up to now is 55.2 secs Computing kpt #: 156 total cpu time spent up to now is 55.3 secs Computing kpt #: 157 total cpu time spent up to now is 55.4 secs Computing kpt #: 158 total cpu time spent up to now is 55.5 secs Computing kpt #: 159 total cpu time spent up to now is 55.6 secs Computing kpt #: 160 total cpu time spent up to now is 55.7 secs Computing kpt #: 161 total cpu time spent up to now is 55.8 secs Computing kpt #: 162 total cpu time spent up to now is 55.9 secs Computing kpt #: 163 total cpu time spent up to now is 56.0 secs Computing kpt #: 164 total cpu time spent up to now is 56.1 secs Computing kpt #: 165 total cpu time spent up to now is 56.2 secs Computing kpt #: 166 total cpu time spent up to now is 56.2 secs Computing kpt #: 167 total cpu time spent up to now is 56.3 secs Computing kpt #: 168 total cpu time spent up to now is 56.4 secs Computing kpt #: 169 total cpu time spent up to now is 56.5 secs Computing kpt #: 170 total cpu time spent up to now is 56.6 secs Computing kpt #: 171 total cpu time spent up to now is 56.7 secs Computing kpt #: 172 total cpu time spent up to now is 56.8 secs Computing kpt #: 173 total cpu time spent up to now is 56.9 secs Computing kpt #: 174 total cpu time spent up to now is 57.0 secs Computing kpt #: 175 total cpu time spent up to now is 57.1 secs Computing kpt #: 176 total cpu time spent up to now is 57.2 secs Computing kpt #: 177 total cpu time spent up to now is 57.3 secs Computing kpt #: 178 total cpu time spent up to now is 57.4 secs Computing kpt #: 179 total cpu time spent up to now is 57.5 secs Computing kpt #: 180 total cpu time spent up to now is 57.6 secs Computing kpt #: 181 total cpu time spent up to now is 57.7 secs Computing kpt #: 182 total cpu time spent up to now is 57.8 secs Computing kpt #: 183 total cpu time spent up to now is 57.9 secs Computing kpt #: 184 total cpu time spent up to now is 58.0 secs Computing kpt #: 185 total cpu time spent up to now is 58.1 secs Computing kpt #: 186 total cpu time spent up to now is 58.2 secs Computing kpt #: 187 total cpu time spent up to now is 58.2 secs Computing kpt #: 188 total cpu time spent up to now is 58.3 secs Computing kpt #: 189 total cpu time spent up to now is 58.4 secs Computing kpt #: 190 total cpu time spent up to now is 58.5 secs Computing kpt #: 191 total cpu time spent up to now is 58.6 secs Computing kpt #: 192 total cpu time spent up to now is 58.7 secs Computing kpt #: 193 total cpu time spent up to now is 58.9 secs Computing kpt #: 194 total cpu time spent up to now is 59.0 secs Computing kpt #: 195 total cpu time spent up to now is 59.1 secs Computing kpt #: 196 total cpu time spent up to now is 59.3 secs Computing kpt #: 197 total cpu time spent up to now is 59.4 secs Computing kpt #: 198 total cpu time spent up to now is 59.5 secs Computing kpt #: 199 total cpu time spent up to now is 59.6 secs Computing kpt #: 200 total cpu time spent up to now is 59.7 secs Computing kpt #: 201 total cpu time spent up to now is 59.8 secs Computing kpt #: 202 total cpu time spent up to now is 59.9 secs Computing kpt #: 203 total cpu time spent up to now is 60.0 secs Computing kpt #: 204 total cpu time spent up to now is 60.1 secs Computing kpt #: 205 total cpu time spent up to now is 60.2 secs Computing kpt #: 206 total cpu time spent up to now is 60.3 secs Computing kpt #: 207 total cpu time spent up to now is 60.4 secs Computing kpt #: 208 total cpu time spent up to now is 60.5 secs Computing kpt #: 209 total cpu time spent up to now is 60.6 secs Computing kpt #: 210 total cpu time spent up to now is 60.7 secs Computing kpt #: 211 total cpu time spent up to now is 60.8 secs Computing kpt #: 212 total cpu time spent up to now is 60.9 secs Computing kpt #: 213 total cpu time spent up to now is 61.0 secs Computing kpt #: 214 total cpu time spent up to now is 61.1 secs Computing kpt #: 215 total cpu time spent up to now is 61.2 secs Computing kpt #: 216 total cpu time spent up to now is 61.3 secs Computing kpt #: 217 total cpu time spent up to now is 61.4 secs Computing kpt #: 218 total cpu time spent up to now is 61.5 secs Computing kpt #: 219 total cpu time spent up to now is 61.6 secs Computing kpt #: 220 total cpu time spent up to now is 61.7 secs Computing kpt #: 221 total cpu time spent up to now is 61.8 secs Computing kpt #: 222 total cpu time spent up to now is 61.9 secs Computing kpt #: 223 total cpu time spent up to now is 62.0 secs Computing kpt #: 224 total cpu time spent up to now is 62.1 secs Computing kpt #: 225 total cpu time spent up to now is 62.2 secs Computing kpt #: 226 total cpu time spent up to now is 62.3 secs Computing kpt #: 227 total cpu time spent up to now is 62.4 secs Computing kpt #: 228 total cpu time spent up to now is 62.5 secs Computing kpt #: 229 total cpu time spent up to now is 62.5 secs Computing kpt #: 230 total cpu time spent up to now is 62.6 secs Computing kpt #: 231 total cpu time spent up to now is 62.7 secs Computing kpt #: 232 total cpu time spent up to now is 62.8 secs Computing kpt #: 233 total cpu time spent up to now is 62.9 secs Computing kpt #: 234 total cpu time spent up to now is 63.0 secs Computing kpt #: 235 total cpu time spent up to now is 63.1 secs Computing kpt #: 236 total cpu time spent up to now is 63.2 secs Computing kpt #: 237 total cpu time spent up to now is 63.3 secs Computing kpt #: 238 total cpu time spent up to now is 63.4 secs Computing kpt #: 239 total cpu time spent up to now is 63.5 secs Computing kpt #: 240 total cpu time spent up to now is 63.6 secs Computing kpt #: 241 total cpu time spent up to now is 63.7 secs Computing kpt #: 242 total cpu time spent up to now is 63.8 secs Computing kpt #: 243 total cpu time spent up to now is 63.9 secs Computing kpt #: 244 total cpu time spent up to now is 64.0 secs Computing kpt #: 245 total cpu time spent up to now is 64.1 secs Computing kpt #: 246 total cpu time spent up to now is 64.2 secs Computing kpt #: 247 total cpu time spent up to now is 64.3 secs Computing kpt #: 248 total cpu time spent up to now is 64.4 secs Computing kpt #: 249 total cpu time spent up to now is 64.5 secs Computing kpt #: 250 total cpu time spent up to now is 64.6 secs Computing kpt #: 251 total cpu time spent up to now is 64.7 secs Computing kpt #: 252 total cpu time spent up to now is 64.8 secs Computing kpt #: 253 total cpu time spent up to now is 64.9 secs Computing kpt #: 254 total cpu time spent up to now is 65.0 secs Computing kpt #: 255 total cpu time spent up to now is 65.2 secs Computing kpt #: 256 total cpu time spent up to now is 65.3 secs Computing kpt #: 257 total cpu time spent up to now is 65.4 secs Computing kpt #: 258 total cpu time spent up to now is 65.6 secs Computing kpt #: 259 total cpu time spent up to now is 65.7 secs Computing kpt #: 260 total cpu time spent up to now is 65.8 secs Computing kpt #: 261 total cpu time spent up to now is 66.0 secs Computing kpt #: 262 total cpu time spent up to now is 66.1 secs Computing kpt #: 263 total cpu time spent up to now is 66.2 secs Computing kpt #: 264 total cpu time spent up to now is 66.3 secs Computing kpt #: 265 total cpu time spent up to now is 66.4 secs Computing kpt #: 266 total cpu time spent up to now is 66.5 secs Computing kpt #: 267 total cpu time spent up to now is 66.6 secs Computing kpt #: 268 total cpu time spent up to now is 66.7 secs Computing kpt #: 269 total cpu time spent up to now is 66.8 secs Computing kpt #: 270 total cpu time spent up to now is 66.9 secs Computing kpt #: 271 total cpu time spent up to now is 67.0 secs Computing kpt #: 272 total cpu time spent up to now is 67.1 secs Computing kpt #: 273 total cpu time spent up to now is 67.3 secs Computing kpt #: 274 total cpu time spent up to now is 67.4 secs Computing kpt #: 275 total cpu time spent up to now is 67.5 secs Computing kpt #: 276 total cpu time spent up to now is 67.6 secs Computing kpt #: 277 total cpu time spent up to now is 67.7 secs Computing kpt #: 278 total cpu time spent up to now is 67.8 secs Computing kpt #: 279 total cpu time spent up to now is 67.9 secs Computing kpt #: 280 total cpu time spent up to now is 68.0 secs Computing kpt #: 281 total cpu time spent up to now is 68.1 secs Computing kpt #: 282 total cpu time spent up to now is 68.2 secs Computing kpt #: 283 total cpu time spent up to now is 68.3 secs Computing kpt #: 284 total cpu time spent up to now is 68.4 secs Computing kpt #: 285 total cpu time spent up to now is 68.5 secs Computing kpt #: 286 total cpu time spent up to now is 68.6 secs Computing kpt #: 287 total cpu time spent up to now is 68.7 secs Computing kpt #: 288 total cpu time spent up to now is 68.8 secs Computing kpt #: 289 total cpu time spent up to now is 68.9 secs Computing kpt #: 290 total cpu time spent up to now is 69.0 secs Computing kpt #: 291 total cpu time spent up to now is 69.1 secs Computing kpt #: 292 total cpu time spent up to now is 69.2 secs Computing kpt #: 293 total cpu time spent up to now is 69.3 secs Computing kpt #: 294 total cpu time spent up to now is 69.4 secs Computing kpt #: 295 total cpu time spent up to now is 69.6 secs Computing kpt #: 296 total cpu time spent up to now is 69.7 secs Computing kpt #: 297 total cpu time spent up to now is 69.8 secs Computing kpt #: 298 total cpu time spent up to now is 69.9 secs Computing kpt #: 299 total cpu time spent up to now is 70.0 secs Computing kpt #: 300 total cpu time spent up to now is 70.1 secs Computing kpt #: 301 total cpu time spent up to now is 70.2 secs Computing kpt #: 302 total cpu time spent up to now is 70.3 secs Computing kpt #: 303 total cpu time spent up to now is 70.4 secs Computing kpt #: 304 total cpu time spent up to now is 70.5 secs Computing kpt #: 305 total cpu time spent up to now is 70.6 secs Computing kpt #: 306 total cpu time spent up to now is 70.8 secs Computing kpt #: 307 total cpu time spent up to now is 71.0 secs Computing kpt #: 308 total cpu time spent up to now is 71.1 secs Computing kpt #: 309 total cpu time spent up to now is 71.3 secs Computing kpt #: 310 total cpu time spent up to now is 71.8 secs Computing kpt #: 311 total cpu time spent up to now is 71.9 secs Computing kpt #: 312 total cpu time spent up to now is 72.1 secs Computing kpt #: 313 total cpu time spent up to now is 72.2 secs Computing kpt #: 314 total cpu time spent up to now is 72.4 secs Computing kpt #: 315 total cpu time spent up to now is 72.6 secs Computing kpt #: 316 total cpu time spent up to now is 72.7 secs Computing kpt #: 317 total cpu time spent up to now is 72.8 secs Computing kpt #: 318 total cpu time spent up to now is 73.0 secs Computing kpt #: 319 total cpu time spent up to now is 73.1 secs Computing kpt #: 320 total cpu time spent up to now is 73.2 secs Computing kpt #: 321 total cpu time spent up to now is 73.3 secs Computing kpt #: 322 total cpu time spent up to now is 73.5 secs Computing kpt #: 323 total cpu time spent up to now is 73.6 secs Computing kpt #: 324 total cpu time spent up to now is 73.7 secs Computing kpt #: 325 total cpu time spent up to now is 73.9 secs Computing kpt #: 326 total cpu time spent up to now is 74.0 secs Computing kpt #: 327 total cpu time spent up to now is 74.1 secs Computing kpt #: 328 total cpu time spent up to now is 74.2 secs Computing kpt #: 329 total cpu time spent up to now is 74.3 secs Computing kpt #: 330 total cpu time spent up to now is 74.4 secs Computing kpt #: 331 total cpu time spent up to now is 74.5 secs Computing kpt #: 332 total cpu time spent up to now is 74.6 secs Computing kpt #: 333 total cpu time spent up to now is 74.7 secs Computing kpt #: 334 total cpu time spent up to now is 74.8 secs Computing kpt #: 335 total cpu time spent up to now is 74.9 secs Computing kpt #: 336 total cpu time spent up to now is 75.0 secs Computing kpt #: 337 total cpu time spent up to now is 75.1 secs Computing kpt #: 338 total cpu time spent up to now is 75.2 secs Computing kpt #: 339 total cpu time spent up to now is 75.3 secs Computing kpt #: 340 total cpu time spent up to now is 75.4 secs Computing kpt #: 341 total cpu time spent up to now is 75.5 secs Computing kpt #: 342 total cpu time spent up to now is 75.7 secs Computing kpt #: 343 total cpu time spent up to now is 75.8 secs Computing kpt #: 344 total cpu time spent up to now is 75.9 secs Computing kpt #: 345 total cpu time spent up to now is 76.0 secs Computing kpt #: 346 total cpu time spent up to now is 76.1 secs Computing kpt #: 347 total cpu time spent up to now is 76.3 secs Computing kpt #: 348 total cpu time spent up to now is 76.4 secs Computing kpt #: 349 total cpu time spent up to now is 76.6 secs Computing kpt #: 350 total cpu time spent up to now is 76.7 secs Computing kpt #: 351 total cpu time spent up to now is 76.8 secs Computing kpt #: 352 total cpu time spent up to now is 76.9 secs Computing kpt #: 353 total cpu time spent up to now is 77.1 secs Computing kpt #: 354 total cpu time spent up to now is 77.2 secs Computing kpt #: 355 total cpu time spent up to now is 77.3 secs Computing kpt #: 356 total cpu time spent up to now is 77.4 secs Computing kpt #: 357 total cpu time spent up to now is 77.6 secs Computing kpt #: 358 total cpu time spent up to now is 77.7 secs Computing kpt #: 359 total cpu time spent up to now is 77.9 secs Computing kpt #: 360 total cpu time spent up to now is 78.0 secs Computing kpt #: 361 total cpu time spent up to now is 78.1 secs Computing kpt #: 362 total cpu time spent up to now is 78.2 secs Computing kpt #: 363 total cpu time spent up to now is 78.3 secs Computing kpt #: 364 total cpu time spent up to now is 78.4 secs Computing kpt #: 365 total cpu time spent up to now is 78.5 secs Computing kpt #: 366 total cpu time spent up to now is 78.6 secs Computing kpt #: 367 total cpu time spent up to now is 78.7 secs Computing kpt #: 368 total cpu time spent up to now is 78.8 secs Computing kpt #: 369 total cpu time spent up to now is 78.9 secs Computing kpt #: 370 total cpu time spent up to now is 79.0 secs Computing kpt #: 371 total cpu time spent up to now is 79.1 secs Computing kpt #: 372 total cpu time spent up to now is 79.2 secs Computing kpt #: 373 total cpu time spent up to now is 79.4 secs Computing kpt #: 374 total cpu time spent up to now is 79.5 secs Computing kpt #: 375 total cpu time spent up to now is 79.6 secs Computing kpt #: 376 total cpu time spent up to now is 79.7 secs Computing kpt #: 377 total cpu time spent up to now is 79.8 secs Computing kpt #: 378 total cpu time spent up to now is 79.9 secs Computing kpt #: 379 total cpu time spent up to now is 79.9 secs Computing kpt #: 380 total cpu time spent up to now is 80.0 secs Computing kpt #: 381 total cpu time spent up to now is 80.1 secs Computing kpt #: 382 total cpu time spent up to now is 80.2 secs Computing kpt #: 383 total cpu time spent up to now is 80.3 secs Computing kpt #: 384 total cpu time spent up to now is 80.4 secs Computing kpt #: 385 total cpu time spent up to now is 80.6 secs Computing kpt #: 386 total cpu time spent up to now is 80.7 secs Computing kpt #: 387 total cpu time spent up to now is 80.8 secs Computing kpt #: 388 total cpu time spent up to now is 80.9 secs Computing kpt #: 389 total cpu time spent up to now is 81.0 secs Computing kpt #: 390 total cpu time spent up to now is 81.1 secs Computing kpt #: 391 total cpu time spent up to now is 81.3 secs Computing kpt #: 392 total cpu time spent up to now is 81.4 secs Computing kpt #: 393 total cpu time spent up to now is 81.5 secs Computing kpt #: 394 total cpu time spent up to now is 81.6 secs Computing kpt #: 395 total cpu time spent up to now is 81.7 secs Computing kpt #: 396 total cpu time spent up to now is 81.8 secs Computing kpt #: 397 total cpu time spent up to now is 81.9 secs Computing kpt #: 398 total cpu time spent up to now is 82.0 secs Computing kpt #: 399 total cpu time spent up to now is 82.1 secs Computing kpt #: 400 total cpu time spent up to now is 82.2 secs Computing kpt #: 401 total cpu time spent up to now is 82.3 secs Computing kpt #: 402 total cpu time spent up to now is 82.4 secs Computing kpt #: 403 total cpu time spent up to now is 82.6 secs Computing kpt #: 404 total cpu time spent up to now is 82.7 secs Computing kpt #: 405 total cpu time spent up to now is 82.8 secs Computing kpt #: 406 total cpu time spent up to now is 82.9 secs Computing kpt #: 407 total cpu time spent up to now is 83.1 secs Computing kpt #: 408 total cpu time spent up to now is 83.2 secs Computing kpt #: 409 total cpu time spent up to now is 83.4 secs Computing kpt #: 410 total cpu time spent up to now is 83.6 secs Computing kpt #: 411 total cpu time spent up to now is 83.8 secs Computing kpt #: 412 total cpu time spent up to now is 84.0 secs Computing kpt #: 413 total cpu time spent up to now is 84.1 secs Computing kpt #: 414 total cpu time spent up to now is 84.2 secs Computing kpt #: 415 total cpu time spent up to now is 84.3 secs Computing kpt #: 416 total cpu time spent up to now is 84.4 secs Computing kpt #: 417 total cpu time spent up to now is 84.5 secs Computing kpt #: 418 total cpu time spent up to now is 84.6 secs Computing kpt #: 419 total cpu time spent up to now is 84.7 secs Computing kpt #: 420 total cpu time spent up to now is 84.8 secs Computing kpt #: 421 total cpu time spent up to now is 84.9 secs Computing kpt #: 422 total cpu time spent up to now is 85.0 secs Computing kpt #: 423 total cpu time spent up to now is 85.1 secs Computing kpt #: 424 total cpu time spent up to now is 85.2 secs Computing kpt #: 425 total cpu time spent up to now is 85.4 secs Computing kpt #: 426 total cpu time spent up to now is 85.5 secs Computing kpt #: 427 total cpu time spent up to now is 85.6 secs Computing kpt #: 428 total cpu time spent up to now is 85.7 secs Computing kpt #: 429 total cpu time spent up to now is 85.8 secs Computing kpt #: 430 total cpu time spent up to now is 85.9 secs Computing kpt #: 431 total cpu time spent up to now is 86.0 secs Computing kpt #: 432 total cpu time spent up to now is 86.4 secs Computing kpt #: 433 total cpu time spent up to now is 86.5 secs Computing kpt #: 434 total cpu time spent up to now is 86.6 secs Computing kpt #: 435 total cpu time spent up to now is 86.7 secs Computing kpt #: 436 total cpu time spent up to now is 86.8 secs Computing kpt #: 437 total cpu time spent up to now is 86.9 secs Computing kpt #: 438 total cpu time spent up to now is 87.0 secs Computing kpt #: 439 total cpu time spent up to now is 87.1 secs Computing kpt #: 440 total cpu time spent up to now is 87.2 secs Computing kpt #: 441 total cpu time spent up to now is 87.3 secs ethr = 1.25E-10, avg # of iterations = 12.7 total cpu time spent up to now is 87.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 869 PWs) bands (ev): -6.6438 -6.6438 8.8217 8.8217 9.0342 9.0342 9.0342 9.0342 12.1554 12.1554 12.3817 12.3817 12.3817 12.3817 14.0622 14.0622 k = 0.0075-0.0043 0.0061 ( 869 PWs) bands (ev): -6.6425 -6.6425 8.8153 8.8153 9.0277 9.0277 9.0278 9.0278 12.1595 12.1595 12.3815 12.3815 12.3896 12.3896 14.0687 14.0687 k = 0.0149-0.0086 0.0122 ( 869 PWs) bands (ev): -6.6388 -6.6388 8.7963 8.7963 9.0084 9.0084 9.0086 9.0086 12.1696 12.1696 12.3828 12.3828 12.4131 12.4131 14.0879 14.0879 k = 0.0224-0.0129 0.0183 ( 869 PWs) bands (ev): -6.6325 -6.6325 8.7650 8.7650 8.9769 8.9769 8.9769 8.9769 12.1801 12.1801 12.3913 12.3913 12.4518 12.4518 14.1192 14.1192 k = 0.0299-0.0172 0.0244 ( 877 PWs) bands (ev): -6.6238 -6.6238 8.7222 8.7222 8.9334 8.9334 8.9339 8.9339 12.1823 12.1823 12.4154 12.4154 12.5046 12.5046 14.1613 14.1613 k = 0.0373-0.0215 0.0305 ( 877 PWs) bands (ev): -6.6125 -6.6125 8.6687 8.6687 8.8786 8.8786 8.8806 8.8806 12.1704 12.1704 12.4605 12.4605 12.5706 12.5706 14.2131 14.2131 k = 0.0448-0.0259 0.0366 ( 881 PWs) bands (ev): -6.5988 -6.5988 8.6055 8.6055 8.8135 8.8135 8.8182 8.8182 12.1456 12.1456 12.5253 12.5253 12.6486 12.6486 14.2729 14.2729 k = 0.0522-0.0302 0.0427 ( 881 PWs) bands (ev): -6.5826 -6.5826 8.5335 8.5335 8.7390 8.7390 8.7477 8.7477 12.1111 12.1111 12.6059 12.6059 12.7374 12.7374 14.3391 14.3391 k = 0.0597-0.0345 0.0487 ( 881 PWs) bands (ev): -6.5639 -6.5639 8.4538 8.4538 8.6560 8.6560 8.6704 8.6704 12.0699 12.0699 12.6990 12.6990 12.8359 12.8359 14.4102 14.4102 k = 0.0672-0.0388 0.0548 ( 881 PWs) bands (ev): -6.5427 -6.5427 8.3669 8.3669 8.5656 8.5656 8.5875 8.5875 12.0236 12.0236 12.8023 12.8023 12.9428 12.9428 14.4844 14.4844 k = 0.0746-0.0431 0.0609 ( 881 PWs) bands (ev): -6.5191 -6.5191 8.2737 8.2737 8.4689 8.4689 8.4998 8.4998 11.9734 11.9734 12.9141 12.9141 13.0573 13.0573 14.5600 14.5600 k = 0.0821-0.0474 0.0670 ( 881 PWs) bands (ev): -6.4929 -6.4929 8.1743 8.1743 8.3670 8.3670 8.4082 8.4082 11.9203 11.9203 13.0332 13.0332 13.1784 13.1784 14.6354 14.6354 k = 0.0896-0.0517 0.0731 ( 881 PWs) bands (ev): -6.4643 -6.4643 8.0691 8.0691 8.2614 8.2614 8.3136 8.3136 11.8649 11.8649 13.1586 13.1586 13.3053 13.3053 14.7087 14.7087 k = 0.0970-0.0560 0.0792 ( 881 PWs) bands (ev): -6.4332 -6.4332 7.9581 7.9581 8.1531 8.1531 8.2167 8.2167 11.8075 11.8075 13.2893 13.2893 13.4372 13.4372 14.7781 14.7781 k = 0.1045-0.0603 0.0853 ( 889 PWs) bands (ev): -6.3997 -6.3997 7.8412 7.8412 8.0435 8.0435 8.1179 8.1179 11.7487 11.7487 13.4247 13.4247 13.5737 13.5737 14.8417 14.8417 k = 0.1119-0.0646 0.0914 ( 881 PWs) bands (ev): -6.3637 -6.3637 7.7185 7.7185 7.9336 7.9336 8.0179 8.0179 11.6887 11.6887 13.5641 13.5641 13.7141 13.7141 14.8976 14.8976 k = 0.1194-0.0689 0.0975 ( 881 PWs) bands (ev): -6.3253 -6.3253 7.5901 7.5901 7.8242 7.8242 7.9170 7.9170 11.6279 11.6279 13.7071 13.7071 13.8580 13.8580 14.9437 14.9437 k = 0.1269-0.0732 0.1036 ( 877 PWs) bands (ev): -6.2844 -6.2844 7.4564 7.4564 7.7156 7.7156 7.8156 7.8156 11.5664 11.5664 13.8531 13.8531 14.0049 14.0049 14.9780 14.9780 k = 0.1343-0.0776 0.1097 ( 877 PWs) bands (ev): -6.2411 -6.2411 7.3178 7.3178 7.6082 7.6082 7.7142 7.7142 11.5046 11.5046 14.0018 14.0018 14.1545 14.1545 14.9987 14.9987 k = 0.1418-0.0819 0.1158 ( 877 PWs) bands (ev): -6.1954 -6.1954 7.1750 7.1750 7.5021 7.5021 7.6129 7.6129 11.4426 11.4426 14.1528 14.1528 14.3065 14.3065 15.0043 15.0043 k = 0.1493-0.0862 0.1219 ( 877 PWs) bands (ev): -6.1473 -6.1473 7.0284 7.0284 7.3974 7.3974 7.5120 7.5120 11.3807 11.3807 14.3055 14.3055 14.4606 14.4606 14.9937 14.9937 k = 0.1567-0.0905 0.1280 ( 869 PWs) bands (ev): -6.0967 -6.0967 6.8785 6.8785 7.2940 7.2940 7.4118 7.4118 11.3189 11.3189 14.4594 14.4594 14.6165 14.6165 14.9668 14.9668 k = 0.1642-0.0948 0.1341 ( 869 PWs) bands (ev): -6.0438 -6.0438 6.7257 6.7257 7.1920 7.1920 7.3124 7.3124 11.2576 11.2576 14.6124 14.6124 14.7740 14.7740 14.9252 14.9252 k = 0.1716-0.0991 0.1401 ( 869 PWs) bands (ev): -5.9885 -5.9885 6.5704 6.5704 7.0915 7.0915 7.2139 7.2139 11.1968 11.1968 14.7503 14.7503 14.8836 14.8836 14.9330 14.9330 k = 0.1791-0.1034 0.1462 ( 869 PWs) bands (ev): -5.9309 -5.9309 6.4129 6.4129 6.9925 6.9925 7.1166 7.1166 11.1366 11.1366 14.7573 14.7573 14.9588 14.9588 15.0931 15.0931 k = 0.1866-0.1077 0.1523 ( 869 PWs) bands (ev): -5.8709 -5.8709 6.2534 6.2534 6.8951 6.8951 7.0206 7.0206 11.0773 11.0773 14.6757 14.6757 15.1098 15.1098 15.2543 15.2543 k = 0.1940-0.1120 0.1584 ( 869 PWs) bands (ev): -5.8086 -5.8086 6.0922 6.0922 6.7992 6.7992 6.9260 6.9260 11.0189 11.0189 14.5751 14.5751 15.2689 15.2689 15.4165 15.4165 k = 0.2015-0.1163 0.1645 ( 869 PWs) bands (ev): -5.7440 -5.7440 5.9296 5.9296 6.7051 6.7051 6.8329 6.8329 10.9616 10.9616 14.4630 14.4630 15.4302 15.4302 15.5793 15.5793 k = 0.2090-0.1206 0.1706 ( 861 PWs) bands (ev): -5.6770 -5.6770 5.7657 5.7657 6.6127 6.6127 6.7413 6.7413 10.9054 10.9054 14.3421 14.3421 15.5928 15.5928 15.7428 15.7428 k = 0.2164-0.1249 0.1767 ( 853 PWs) bands (ev): -5.6078 -5.6078 5.6006 5.6006 6.5222 6.5222 6.6515 6.6515 10.8506 10.8506 14.2144 14.2144 15.7561 15.7561 15.9068 15.9068 k = 0.2239-0.1293 0.1828 ( 853 PWs) bands (ev): -5.5364 -5.5364 5.4345 5.4345 6.4335 6.4335 6.5634 6.5634 10.7971 10.7971 14.0815 14.0815 15.9200 15.9200 16.0712 16.0712 k = 0.2313-0.1336 0.1889 ( 849 PWs) bands (ev): -5.4627 -5.4627 5.2677 5.2677 6.3467 6.3467 6.4771 6.4771 10.7450 10.7450 13.9450 13.9450 16.0842 16.0842 16.2358 16.2358 k = 0.2388-0.1379 0.1950 ( 849 PWs) bands (ev): -5.3869 -5.3869 5.1001 5.1001 6.2618 6.2618 6.3927 6.3927 10.6946 10.6946 13.8060 13.8060 16.2487 16.2487 16.4006 16.4006 k = 0.2463-0.1422 0.2011 ( 849 PWs) bands (ev): -5.3089 -5.3089 4.9319 4.9319 6.1790 6.1790 6.3102 6.3102 10.6457 10.6457 13.6655 13.6655 16.4132 16.4132 16.5654 16.5654 k = 0.2537-0.1465 0.2072 ( 849 PWs) bands (ev): -5.2287 -5.2287 4.7633 4.7633 6.0982 6.0982 6.2297 6.2297 10.5986 10.5986 13.5244 13.5244 16.5778 16.5778 16.7302 16.7302 k = 0.2612-0.1508 0.2133 ( 849 PWs) bands (ev): -5.1464 -5.1464 4.5944 4.5944 6.0195 6.0195 6.1513 6.1513 10.5533 10.5533 13.3834 13.3834 16.7422 16.7422 16.8948 16.8948 k = 0.2687-0.1551 0.2194 ( 849 PWs) bands (ev): -5.0621 -5.0621 4.4253 4.4253 5.9429 5.9429 6.0750 6.0750 10.5098 10.5098 13.2432 13.2432 16.9064 16.9064 17.0591 17.0591 k = 0.2761-0.1594 0.2255 ( 849 PWs) bands (ev): -4.9757 -4.9757 4.2561 4.2561 5.8684 5.8684 6.0007 6.0007 10.4683 10.4683 13.1042 13.1042 17.0702 17.0702 17.2231 17.2231 k = 0.2836-0.1637 0.2315 ( 853 PWs) bands (ev): -4.8874 -4.8874 4.0869 4.0869 5.7962 5.7962 5.9287 5.9287 10.4287 10.4287 12.9668 12.9668 17.2336 17.2336 17.3865 17.3865 k = 0.2910-0.1680 0.2376 ( 853 PWs) bands (ev): -4.7971 -4.7971 3.9178 3.9178 5.7262 5.7262 5.8588 5.8588 10.3912 10.3912 12.8316 12.8316 17.3964 17.3964 17.5494 17.5494 k = 0.2985-0.1723 0.2437 ( 853 PWs) bands (ev): -4.7050 -4.7050 3.7490 3.7490 5.6584 5.6584 5.7912 5.7912 10.3558 10.3558 12.6986 12.6986 17.5584 17.5584 17.7115 17.7115 k = 0.3060-0.1767 0.2498 ( 853 PWs) bands (ev): -4.6110 -4.6110 3.5806 3.5806 5.5929 5.5929 5.7258 5.7258 10.3226 10.3226 12.5682 12.5682 17.7196 17.7196 17.8728 17.8728 k = 0.3134-0.1810 0.2559 ( 853 PWs) bands (ev): -4.5153 -4.5153 3.4128 3.4128 5.5297 5.5297 5.6627 5.6627 10.2915 10.2915 12.4407 12.4407 17.8798 17.8798 18.0331 18.0331 k = 0.3209-0.1853 0.2620 ( 853 PWs) bands (ev): -4.4179 -4.4179 3.2455 3.2455 5.4688 5.4688 5.6019 5.6019 10.2627 10.2627 12.3161 12.3161 18.0388 18.0388 18.1922 18.1922 k = 0.3284-0.1896 0.2681 ( 854 PWs) bands (ev): -4.3190 -4.3190 3.0791 3.0791 5.4103 5.4103 5.5435 5.5435 10.2363 10.2363 12.1946 12.1946 18.1964 18.1964 18.3499 18.3499 k = 0.3358-0.1939 0.2742 ( 850 PWs) bands (ev): -4.2186 -4.2186 2.9136 2.9136 5.3541 5.3541 5.4874 5.4874 10.2122 10.2122 12.0764 12.0764 18.3525 18.3525 18.5061 18.5061 k = 0.3433-0.1982 0.2803 ( 858 PWs) bands (ev): -4.1168 -4.1168 2.7493 2.7493 5.3003 5.3003 5.4336 5.4336 10.1904 10.1904 11.9615 11.9615 18.5069 18.5069 18.6606 18.6606 k = 0.3507-0.2025 0.2864 ( 858 PWs) bands (ev): -4.0138 -4.0138 2.5862 2.5862 5.2489 5.2489 5.3823 5.3823 10.1712 10.1712 11.8501 11.8501 18.6592 18.6592 18.8130 18.8130 k = 0.3582-0.2068 0.2925 ( 858 PWs) bands (ev): -3.9097 -3.9097 2.4247 2.4247 5.1999 5.1999 5.3334 5.3334 10.1544 10.1544 11.7420 11.7420 18.8093 18.8093 18.9632 18.9632 k = 0.3657-0.2111 0.2986 ( 850 PWs) bands (ev): -3.8046 -3.8046 2.2649 2.2649 5.1534 5.1534 5.2869 5.2869 10.1402 10.1402 11.6376 11.6376 18.9568 18.9568 19.1109 19.1109 k = 0.3731-0.2154 0.3047 ( 850 PWs) bands (ev): -3.6989 -3.6989 2.1070 2.1070 5.1093 5.1093 5.2428 5.2428 10.1286 10.1286 11.5366 11.5366 19.1013 19.1013 19.2556 19.2556 k = 0.3806-0.2197 0.3108 ( 850 PWs) bands (ev): -3.5927 -3.5927 1.9514 1.9514 5.0676 5.0676 5.2012 5.2012 10.1195 10.1195 11.4393 11.4393 19.2426 19.2426 19.3971 19.3971 k = 0.3881-0.2240 0.3168 ( 850 PWs) bands (ev): -3.4863 -3.4863 1.7984 1.7984 5.0284 5.0284 5.1621 5.1621 10.1132 10.1132 11.3455 11.3455 19.3802 19.3802 19.5349 19.5349 k = 0.3955-0.2284 0.3229 ( 850 PWs) bands (ev): -3.3800 -3.3800 1.6483 1.6483 4.9917 4.9917 5.1254 5.1254 10.1095 10.1095 11.2554 11.2554 19.5136 19.5136 19.6685 19.6685 k = 0.4030-0.2327 0.3290 ( 850 PWs) bands (ev): -3.2742 -3.2742 1.5016 1.5016 4.9575 4.9575 5.0912 5.0912 10.1086 10.1086 11.1689 11.1689 19.6424 19.6424 19.7975 19.7975 k = 0.4104-0.2370 0.3351 ( 850 PWs) bands (ev): -3.1695 -3.1695 1.3588 1.3588 4.9258 4.9258 5.0595 5.0595 10.1104 10.1104 11.0859 11.0859 19.7658 19.7658 19.9213 19.9213 k = 0.4179-0.2413 0.3412 ( 846 PWs) bands (ev): -3.0663 -3.0663 1.2204 1.2204 4.8966 4.8966 5.0303 5.0303 10.1150 10.1150 11.0066 11.0066 19.8834 19.8834 20.0392 20.0392 k = 0.4254-0.2456 0.3473 ( 842 PWs) bands (ev): -2.9653 -2.9653 1.0873 1.0873 4.8699 4.8699 5.0036 5.0036 10.1225 10.1225 10.9308 10.9308 19.9945 19.9945 20.1505 20.1505 k = 0.4328-0.2499 0.3534 ( 842 PWs) bands (ev): -2.8674 -2.8674 0.9601 0.9601 4.8458 4.8458 4.9795 4.9795 10.1329 10.1329 10.8586 10.8586 20.0983 20.0983 20.2547 20.2547 k = 0.4403-0.2542 0.3595 ( 846 PWs) bands (ev): -2.7735 -2.7735 0.8400 0.8400 4.8241 4.8241 4.9579 4.9579 10.1462 10.1462 10.7900 10.7900 20.1942 20.1942 20.3508 20.3508 k = 0.4478-0.2585 0.3656 ( 850 PWs) bands (ev): -2.6848 -2.6848 0.7280 0.7280 4.8050 4.8050 4.9388 4.9388 10.1625 10.1625 10.7249 10.7249 20.2812 20.2812 20.4382 20.4382 k = 0.4552-0.2628 0.3717 ( 846 PWs) bands (ev): -2.6026 -2.6026 0.6258 0.6258 4.7885 4.7885 4.9222 4.9222 10.1817 10.1817 10.6633 10.6633 20.3587 20.3587 20.5159 20.5159 k = 0.4627-0.2671 0.3778 ( 846 PWs) bands (ev): -2.5286 -2.5286 0.5347 0.5347 4.7744 4.7744 4.9082 4.9082 10.2039 10.2039 10.6052 10.6052 20.4258 20.4258 20.5834 20.5834 k = 0.4701-0.2714 0.3839 ( 846 PWs) bands (ev): -2.4645 -2.4645 0.4565 0.4565 4.7630 4.7630 4.8967 4.8967 10.2291 10.2291 10.5506 10.5506 20.4819 20.4819 20.6397 20.6397 k = 0.4776-0.2757 0.3900 ( 846 PWs) bands (ev): -2.4120 -2.4120 0.3931 0.3931 4.7540 4.7540 4.8878 4.8878 10.2573 10.2573 10.4996 10.4996 20.5263 20.5263 20.6843 20.6843 k = 0.4851-0.2801 0.3961 ( 846 PWs) bands (ev): -2.3730 -2.3730 0.3463 0.3463 4.7476 4.7476 4.8814 4.8814 10.2883 10.2883 10.4523 10.4523 20.5585 20.5585 20.7166 20.7166 k = 0.4925-0.2844 0.4022 ( 846 PWs) bands (ev): -2.3489 -2.3489 0.3175 0.3175 4.7438 4.7438 4.8776 4.8776 10.3210 10.3210 10.4098 10.4098 20.5779 20.5779 20.7361 20.7361 k = 0.5000-0.2887 0.4082 ( 846 PWs) bands (ev): -2.3407 -2.3407 0.3078 0.3078 4.7425 4.7425 4.8763 4.8763 10.3441 10.3441 10.3835 10.3835 20.5844 20.5844 20.7427 20.7427 k = 0.5000-0.2887 0.4082 ( 846 PWs) bands (ev): -2.3407 -2.3407 0.3078 0.3078 4.7425 4.7425 4.8763 4.8763 10.3441 10.3441 10.3835 10.3835 20.5844 20.5844 20.7427 20.7427 k = 0.5000-0.2802 0.4143 ( 846 PWs) bands (ev): -2.3404 -2.3403 0.3075 0.3097 4.7362 4.7420 4.8728 4.8728 10.3485 10.3520 10.3901 10.3902 20.5751 20.5839 20.7376 20.7377 k = 0.5000-0.2717 0.4203 ( 846 PWs) bands (ev): -2.3393 -2.3393 0.3087 0.3132 4.7232 4.7348 4.8623 4.8624 10.3652 10.3722 10.4099 10.4100 20.5554 20.5735 20.7227 20.7231 k = 0.5000-0.2632 0.4263 ( 846 PWs) bands (ev): -2.3375 -2.3375 0.3115 0.3183 4.7035 4.7209 4.8451 4.8451 10.3940 10.4045 10.4428 10.4429 20.5246 20.5527 20.6978 20.6996 k = 0.5000-0.2547 0.4323 ( 846 PWs) bands (ev): -2.3351 -2.3351 0.3159 0.3249 4.6775 4.7008 4.8214 4.8216 10.4347 10.4487 10.4884 10.4885 20.4816 20.5205 20.6637 20.6679 k = 0.5000-0.2462 0.4383 ( 846 PWs) bands (ev): -2.3320 -2.3320 0.3218 0.3331 4.6456 4.6747 4.7915 4.7921 10.4870 10.5042 10.5463 10.5464 20.4257 20.4756 20.6209 20.6281 k = 0.5000-0.2377 0.4443 ( 842 PWs) bands (ev): -2.3283 -2.3282 0.3291 0.3428 4.6080 4.6430 4.7559 4.7571 10.5504 10.5708 10.6161 10.6164 20.3565 20.4169 20.5701 20.5800 k = 0.5000-0.2292 0.4503 ( 844 PWs) bands (ev): -2.3239 -2.3238 0.3380 0.3540 4.5653 4.6063 4.7152 4.7172 10.6245 10.6479 10.6972 10.6977 20.2741 20.3439 20.5108 20.5229 k = 0.5000-0.2208 0.4563 ( 844 PWs) bands (ev): -2.3189 -2.3188 0.3482 0.3666 4.5180 4.5650 4.6700 4.6730 10.7087 10.7349 10.7891 10.7898 20.1789 20.2569 20.4421 20.4557 k = 0.5000-0.2123 0.4623 ( 844 PWs) bands (ev): -2.3134 -2.3133 0.3598 0.3807 4.4666 4.5197 4.6209 4.6252 10.8024 10.8313 10.8912 10.8922 20.0715 20.1565 20.3628 20.3772 k = 0.5000-0.2038 0.4683 ( 846 PWs) bands (ev): -2.3074 -2.3073 0.3728 0.3961 4.4116 4.4709 4.5686 4.5743 10.9052 10.9364 11.0031 11.0043 19.9526 20.0436 20.2715 20.2863 k = 0.5000-0.1953 0.4743 ( 846 PWs) bands (ev): -2.3009 -2.3008 0.3869 0.4128 4.3536 4.4190 4.5138 4.5210 11.0165 11.0498 11.1240 11.1254 19.8230 19.9192 20.1674 20.1822 k = 0.5000-0.1868 0.4803 ( 846 PWs) bands (ev): -2.2940 -2.2938 0.4023 0.4307 4.2931 4.3646 4.4570 4.4660 11.1356 11.1707 11.2536 11.2552 19.6835 19.7842 20.0498 20.0646 k = 0.5000-0.1783 0.4863 ( 850 PWs) bands (ev): -2.2867 -2.2865 0.4187 0.4497 4.2306 4.3081 4.3991 4.4098 11.2619 11.2987 11.3912 11.3929 19.5349 19.6394 19.9186 19.9333 k = 0.5000-0.1698 0.4923 ( 848 PWs) bands (ev): -2.2791 -2.2789 0.4361 0.4699 4.1667 4.2499 4.3406 4.3529 11.3951 11.4331 11.5364 11.5382 19.3779 19.4859 19.7744 19.7890 k = 0.5000-0.1613 0.4983 ( 852 PWs) bands (ev): -2.2712 -2.2711 0.4545 0.4909 4.1017 4.1905 4.2822 4.2959 11.5345 11.5736 11.6886 11.6904 19.2135 19.3245 19.6177 19.6322 k = 0.5000-0.1528 0.5043 ( 852 PWs) bands (ev): -2.2632 -2.2630 0.4735 0.5128 4.0362 4.1302 4.2243 4.2393 11.6795 11.7195 11.8474 11.8493 19.0425 19.1561 19.4495 19.4641 k = 0.5000-0.1443 0.5103 ( 852 PWs) bands (ev): -2.2550 -2.2548 0.4933 0.5354 3.9707 4.0696 4.1675 4.1835 11.8299 11.8705 12.0125 12.0143 18.8656 18.9815 19.2710 19.2857 k = 0.5000-0.1358 0.5163 ( 852 PWs) bands (ev): -2.2468 -2.2466 0.5135 0.5585 3.9057 4.0091 4.1122 4.1289 11.9849 12.0258 12.1832 12.1850 18.6836 18.8018 19.0833 19.0982 k = 0.5000-0.1274 0.5223 ( 860 PWs) bands (ev): -2.2386 -2.2384 0.5341 0.5820 3.8415 3.9491 4.0588 4.0759 12.1441 12.1852 12.3594 12.3611 18.4973 18.6176 18.8875 18.9027 k = 0.5000-0.1189 0.5283 ( 860 PWs) bands (ev): -2.2305 -2.2302 0.5548 0.6058 3.7786 3.8902 4.0075 4.0248 12.3071 12.3481 12.5406 12.5421 18.3075 18.4299 18.6849 18.7006 k = 0.5000-0.1104 0.5343 ( 858 PWs) bands (ev): -2.2225 -2.2223 0.5756 0.6296 3.7175 3.8328 3.9585 3.9760 12.4733 12.5138 12.7265 12.7278 18.1151 18.2397 18.4765 18.4928 k = 0.5000-0.1019 0.5403 ( 858 PWs) bands (ev): -2.2148 -2.2145 0.5961 0.6531 3.6585 3.7774 3.9123 3.9297 12.6421 12.6819 12.9167 12.9178 17.9207 18.0477 18.2632 18.2804 k = 0.5000-0.0934 0.5463 ( 858 PWs) bands (ev): -2.2073 -2.2071 0.6163 0.6763 3.6022 3.7244 3.8689 3.8861 12.8129 12.8516 13.1108 13.1117 17.7251 17.8550 18.0460 18.0643 k = 0.5000-0.0849 0.5523 ( 858 PWs) bands (ev): -2.2003 -2.2000 0.6358 0.6987 3.5489 3.6743 3.8286 3.8456 12.9849 13.0222 13.3086 13.3092 17.5294 17.6625 17.8257 17.8456 k = 0.5000-0.0764 0.5583 ( 862 PWs) bands (ev): -2.1936 -2.1934 0.6544 0.7202 3.4991 3.6275 3.7915 3.8083 13.1572 13.1926 13.5097 13.5100 17.3342 17.4716 17.6033 17.6253 k = 0.5000-0.0679 0.5643 ( 866 PWs) bands (ev): -2.1875 -2.1873 0.6719 0.7405 3.4531 3.5843 3.7579 3.7745 13.3286 13.3616 13.7134 13.7136 17.1407 17.2836 17.3794 17.4046 k = 0.5000-0.0594 0.5703 ( 862 PWs) bands (ev): -2.1820 -2.1817 0.6881 0.7593 3.4114 3.5453 3.7279 3.7442 13.4976 13.5277 13.9191 13.9197 16.9499 17.1001 17.1553 17.1849 k = 0.5000-0.0509 0.5764 ( 862 PWs) bands (ev): -2.1770 -2.1768 0.7027 0.7764 3.3743 3.5106 3.7015 3.7176 13.6621 13.6885 14.1264 14.1274 16.7627 16.9196 16.9358 16.9687 k = 0.5000-0.0425 0.5824 ( 862 PWs) bands (ev): -2.1727 -2.1725 0.7155 0.7913 3.3422 3.4807 3.6790 3.6950 13.8192 13.8410 14.3341 14.3357 16.5791 16.7062 16.7601 16.7610 k = 0.5000-0.0340 0.5884 ( 862 PWs) bands (ev): -2.1692 -2.1689 0.7263 0.8040 3.3154 3.4557 3.6605 3.6763 13.9646 13.9812 14.5405 14.5427 16.3972 16.4879 16.5673 16.6096 k = 0.5000-0.0255 0.5944 ( 870 PWs) bands (ev): -2.1664 -2.1661 0.7349 0.8141 3.2943 3.4361 3.6460 3.6616 14.0924 14.1032 14.7423 14.7450 16.2145 16.2763 16.4026 16.4789 k = 0.5000-0.0170 0.6004 ( 870 PWs) bands (ev): -2.1644 -2.1641 0.7412 0.8214 3.2790 3.4219 3.6356 3.6511 14.1945 14.1996 14.9315 14.9346 16.0357 16.0800 16.2770 16.3763 k = 0.5000-0.0085 0.6064 ( 872 PWs) bands (ev): -2.1632 -2.1629 0.7450 0.8259 3.2698 3.4133 3.6293 3.6448 14.2616 14.2623 15.0870 15.0899 15.8845 15.9206 16.1978 16.3099 k = 0.5000 0.0000 0.6124 ( 876 PWs) bands (ev): -2.1627 -2.1625 0.7463 0.8274 3.2667 3.4105 3.6272 3.6427 14.2842 14.2851 15.1549 15.1573 15.8177 15.8518 16.1705 16.2867 k = 0.5000 0.0000 0.6124 ( 876 PWs) bands (ev): -2.1627 -2.1625 0.7463 0.8274 3.2667 3.4105 3.6272 3.6427 14.2842 14.2851 15.1549 15.1573 15.8177 15.8518 16.1705 16.2867 k = 0.4948 0.0090 0.6124 ( 869 PWs) bands (ev): -2.1643 -2.1641 0.7463 0.8273 3.2618 3.4033 3.6332 3.6589 14.2662 14.2672 15.1234 15.1264 15.8415 15.8880 16.1930 16.3099 k = 0.4896 0.0180 0.6124 ( 863 PWs) bands (ev): -2.1688 -2.1685 0.7463 0.8269 3.2469 3.3829 3.6590 3.6987 14.2050 14.2098 15.0539 15.0582 15.9140 15.9760 16.2517 16.3686 k = 0.4844 0.0271 0.6124 ( 863 PWs) bands (ev): -2.1757 -2.1755 0.7458 0.8259 3.2242 3.3537 3.7047 3.7544 14.0971 14.1081 14.9842 14.9875 16.0142 16.0901 16.3385 16.4535 k = 0.4792 0.0361 0.6124 ( 863 PWs) bands (ev): -2.1846 -2.1844 0.7446 0.8240 3.1966 3.3203 3.7663 3.8221 13.9484 13.9658 14.9289 14.9321 16.1265 16.2144 16.4487 16.5599 k = 0.4740 0.0451 0.6124 ( 863 PWs) bands (ev): -2.1951 -2.1951 0.7426 0.8213 3.1663 3.2853 3.8401 3.8991 13.7704 13.7934 14.8868 14.8933 16.2441 16.3413 16.5780 16.6842 k = 0.4688 0.0541 0.6124 ( 863 PWs) bands (ev): -2.2070 -2.2069 0.7399 0.8176 3.1350 3.2503 3.9234 3.9840 13.5745 13.6017 14.8547 14.8649 16.3651 16.4682 16.7221 16.8224 k = 0.4635 0.0631 0.6124 ( 863 PWs) bands (ev): -2.2197 -2.2197 0.7363 0.8131 3.1037 3.2160 4.0145 4.0752 13.3691 13.3992 14.8288 14.8423 16.4890 16.5955 16.8765 16.9710 k = 0.4583 0.0722 0.6124 ( 865 PWs) bands (ev): -2.2332 -2.2330 0.7320 0.8079 3.0729 3.1828 4.1116 4.1718 13.1597 13.1917 14.8065 14.8229 16.6158 16.7237 17.0375 17.1269 k = 0.4531 0.0812 0.6124 ( 859 PWs) bands (ev): -2.2469 -2.2467 0.7271 0.8020 3.0432 3.1512 4.2136 4.2725 12.9500 12.9832 14.7864 14.8053 16.7452 16.8534 17.2025 17.2876 k = 0.4479 0.0902 0.6124 ( 859 PWs) bands (ev): -2.2608 -2.2605 0.7217 0.7957 3.0148 3.1211 4.3191 4.3763 12.7425 12.7763 14.7678 14.7888 16.8768 16.9847 17.3695 17.4512 k = 0.4427 0.0992 0.6124 ( 857 PWs) bands (ev): -2.2745 -2.2742 0.7159 0.7890 2.9879 3.0928 4.4270 4.4821 12.5394 12.5734 14.7503 14.7732 17.0102 17.1174 17.5370 17.6159 k = 0.4375 0.1083 0.6124 ( 857 PWs) bands (ev): -2.2879 -2.2875 0.7099 0.7822 2.9627 3.0665 4.5360 4.5886 12.3423 12.3760 14.7339 14.7584 17.1449 17.2510 17.7036 17.7804 k = 0.4323 0.1173 0.6124 ( 857 PWs) bands (ev): -2.3008 -2.3004 0.7038 0.7753 2.9392 3.0420 4.6448 4.6947 12.1528 12.1858 14.7184 14.7443 17.2803 17.3851 17.8681 17.9433 k = 0.4271 0.1263 0.6124 ( 855 PWs) bands (ev): -2.3130 -2.3125 0.6977 0.7685 2.9176 3.0196 4.7522 4.7991 11.9722 12.0042 14.7041 14.7311 17.4157 17.5188 18.0289 18.1031 k = 0.4219 0.1353 0.6124 ( 855 PWs) bands (ev): -2.3244 -2.3239 0.6919 0.7620 2.8979 2.9991 4.8568 4.9002 11.8021 11.8328 14.6908 14.7189 17.5504 17.6515 18.1847 18.2583 k = 0.4167 0.1443 0.6124 ( 855 PWs) bands (ev): -2.3349 -2.3344 0.6863 0.7559 2.8801 2.9808 4.9569 4.9968 11.6440 11.6729 14.6788 14.7077 17.6835 17.7819 18.3337 18.4072 k = 0.4115 0.1534 0.6124 ( 855 PWs) bands (ev): -2.3444 -2.3439 0.6811 0.7502 2.8644 2.9646 5.0512 5.0871 11.4993 11.5262 14.6679 14.6977 17.8137 17.9087 18.4739 18.5479 k = 0.4062 0.1624 0.6124 ( 856 PWs) bands (ev): -2.3528 -2.3522 0.6764 0.7451 2.8507 2.9505 5.1380 5.1696 11.3696 11.3943 14.6585 14.6888 17.9397 18.0302 18.6030 18.6780 k = 0.4010 0.1714 0.6124 ( 848 PWs) bands (ev): -2.3600 -2.3594 0.6723 0.7407 2.8390 2.9385 5.2156 5.2426 11.2566 11.2787 14.6503 14.6812 18.0595 18.1437 18.7184 18.7951 k = 0.3958 0.1804 0.6124 ( 848 PWs) bands (ev): -2.3660 -2.3654 0.6689 0.7370 2.8295 2.9287 5.2824 5.3045 11.1619 11.1811 14.6436 14.6749 18.1703 18.2458 18.8171 18.8963 k = 0.3906 0.1894 0.6124 ( 852 PWs) bands (ev): -2.3707 -2.3701 0.6661 0.7340 2.8221 2.9210 5.3369 5.3538 11.0866 11.1031 14.6384 14.6699 18.2685 18.3320 18.8966 18.9787 k = 0.3854 0.1985 0.6124 ( 852 PWs) bands (ev): -2.3741 -2.3735 0.6642 0.7318 2.8167 2.9156 5.3777 5.3892 11.0322 11.0460 14.6346 14.6664 18.3492 18.3964 18.9546 19.0396 k = 0.3802 0.2075 0.6124 ( 858 PWs) bands (ev): -2.3762 -2.3755 0.6629 0.7305 2.8135 2.9123 5.4038 5.4098 10.9993 11.0111 14.6323 14.6642 18.4062 18.4334 18.9896 19.0769 k = 0.3750 0.2165 0.6124 ( 858 PWs) bands (ev): -2.3768 -2.3762 0.6625 0.7301 2.8125 2.9112 5.4137 5.4156 10.9883 10.9993 14.6316 14.6635 18.4301 18.4421 19.0012 19.0895 k = 0.3750 0.2165 0.6124 ( 858 PWs) bands (ev): -2.3768 -2.3762 0.6625 0.7301 2.8125 2.9112 5.4137 5.4156 10.9883 10.9993 14.6316 14.6635 18.4301 18.4421 19.0012 19.0895 k = 0.3697 0.2135 0.6037 ( 858 PWs) bands (ev): -2.4033 -2.4025 0.6911 0.7613 2.7642 2.8655 5.4640 5.4658 11.0408 11.0523 14.8911 14.9217 18.2889 18.2998 18.9159 19.0070 k = 0.3644 0.2104 0.5951 ( 850 PWs) bands (ev): -2.4344 -2.4334 0.7212 0.7938 2.7253 2.8289 5.5161 5.5178 11.0951 11.1072 15.1488 15.1777 18.1468 18.1569 18.8352 18.9295 k = 0.3592 0.2074 0.5865 ( 850 PWs) bands (ev): -2.4704 -2.4692 0.7532 0.8278 2.6958 2.8014 5.5699 5.5716 11.1512 11.1638 15.4029 15.4297 18.0043 18.0135 18.7606 18.8584 k = 0.3539 0.2043 0.5779 ( 858 PWs) bands (ev): -2.5114 -2.5099 0.7874 0.8636 2.6756 2.7829 5.6253 5.6270 11.2091 11.2221 15.6512 15.6752 17.8614 17.8699 18.6938 18.7959 k = 0.3486 0.2013 0.5692 ( 858 PWs) bands (ev): -2.5574 -2.5557 0.8241 0.9016 2.6648 2.7733 5.6824 5.6840 11.2686 11.2822 15.8905 15.9112 17.7185 17.7264 18.6373 18.7446 k = 0.3433 0.1982 0.5606 ( 858 PWs) bands (ev): -2.6084 -2.6065 0.8635 0.9420 2.6631 2.7725 5.7411 5.7427 11.3297 11.3438 16.1170 16.1336 17.5758 17.5832 18.5931 18.7076 k = 0.3380 0.1952 0.5520 ( 856 PWs) bands (ev): -2.6644 -2.6622 0.9061 0.9852 2.6701 2.7800 5.8013 5.8028 11.3923 11.4069 16.3251 16.3371 17.4333 17.4403 18.5598 18.6826 k = 0.3327 0.1921 0.5434 ( 856 PWs) bands (ev): -2.7251 -2.7228 0.9521 1.0315 2.6855 2.7956 5.8630 5.8645 11.4564 11.4715 16.5085 16.5155 17.2914 17.2979 18.5068 18.5869 k = 0.3275 0.1891 0.5347 ( 860 PWs) bands (ev): -2.7905 -2.7880 1.0017 1.0811 2.7088 2.8189 5.9261 5.9275 11.5218 11.5375 16.6602 16.6624 17.1501 17.1563 18.3868 18.4385 k = 0.3222 0.1860 0.5261 ( 860 PWs) bands (ev): -2.8601 -2.8575 1.0552 1.1344 2.7395 2.8494 5.9905 5.9919 11.5884 11.6046 16.7729 16.7749 17.0096 17.0158 18.2421 18.2883 k = 0.3169 0.1830 0.5175 ( 864 PWs) bands (ev): -2.9338 -2.9310 1.1127 1.1916 2.7773 2.8867 6.0562 6.0576 11.6562 11.6729 16.8429 16.8507 16.8700 16.8791 18.0934 18.1395 k = 0.3116 0.1799 0.5089 ( 864 PWs) bands (ev): -3.0111 -3.0082 1.1743 1.2527 2.8217 2.9304 6.1231 6.1245 11.7250 11.7423 16.7314 16.7358 16.8857 16.8907 17.9450 17.9931 k = 0.3063 0.1769 0.5002 ( 858 PWs) bands (ev): -3.0917 -3.0888 1.2402 1.3180 2.8722 2.9801 6.1911 6.1925 11.7947 11.8124 16.5940 16.5985 16.8938 16.9004 17.7982 17.8495 k = 0.3011 0.1738 0.4916 ( 859 PWs) bands (ev): -3.1752 -3.1723 1.3103 1.3874 2.9284 3.0355 6.2602 6.2615 11.8650 11.8833 16.4578 16.4623 16.8785 16.8866 17.6537 17.7090 k = 0.2958 0.1708 0.4830 ( 859 PWs) bands (ev): -3.2613 -3.2584 1.3846 1.4611 2.9899 3.0961 6.3303 6.3316 11.9359 11.9548 16.3230 16.3274 16.8452 16.8554 17.5121 17.5723 k = 0.2905 0.1677 0.4744 ( 861 PWs) bands (ev): -3.3496 -3.3467 1.4632 1.5390 3.0564 3.1617 6.4012 6.4026 12.0072 12.0266 16.1896 16.1940 16.7981 16.8111 17.3741 17.4398 k = 0.2852 0.1647 0.4657 ( 859 PWs) bands (ev): -3.4398 -3.4369 1.5460 1.6211 3.1276 3.2320 6.4730 6.4743 12.0787 12.0986 16.0578 16.0621 16.7401 16.7568 17.2406 17.3125 k = 0.2799 0.1616 0.4571 ( 859 PWs) bands (ev): -3.5314 -3.5286 1.6329 1.7073 3.2031 3.3066 6.5455 6.5468 12.1501 12.1705 15.9276 15.9318 16.6732 16.6939 17.1129 17.1910 k = 0.2746 0.1586 0.4485 ( 859 PWs) bands (ev): -3.6243 -3.6215 1.7238 1.7977 3.2828 3.3854 6.6186 6.6199 12.2213 12.2421 15.7990 15.8032 16.5983 16.6230 16.9925 17.0765 k = 0.2694 0.1555 0.4399 ( 859 PWs) bands (ev): -3.7181 -3.7154 1.8188 1.8921 3.3663 3.4681 6.6923 6.6935 12.2919 12.3132 15.6722 15.6764 16.5163 16.5435 16.8816 16.9698 k = 0.2641 0.1525 0.4312 ( 859 PWs) bands (ev): -3.8125 -3.8099 1.9176 1.9904 3.4534 3.5545 6.7663 6.7676 12.3616 12.3834 15.5471 15.5514 16.4275 16.4548 16.7821 16.8717 k = 0.2588 0.1494 0.4226 ( 855 PWs) bands (ev): -3.9072 -3.9047 2.0202 2.0926 3.5441 3.6445 6.8407 6.8420 12.4303 12.4525 15.4240 15.4282 16.3328 16.3573 16.6945 16.7825 k = 0.2535 0.1464 0.4140 ( 855 PWs) bands (ev): -4.0020 -3.9997 2.1266 2.1985 3.6380 3.7378 6.9153 6.9165 12.4974 12.5200 15.3027 15.3070 16.2332 16.2523 16.6182 16.7019 k = 0.2482 0.1433 0.4054 ( 847 PWs) bands (ev): -4.0968 -4.0945 2.2366 2.3082 3.7351 3.8343 6.9899 6.9912 12.5628 12.5858 15.1834 15.1878 16.1299 16.1424 16.5516 16.6294 k = 0.2430 0.1403 0.3967 ( 855 PWs) bands (ev): -4.1912 -4.1891 2.3501 2.4214 3.8351 3.9338 7.0646 7.0659 12.6259 12.6493 15.0662 15.0706 16.0241 16.0295 16.4929 16.5642 k = 0.2377 0.1372 0.3881 ( 855 PWs) bands (ev): -4.2851 -4.2831 2.4671 2.5382 3.9380 4.0363 7.1391 7.1404 12.6865 12.7102 14.9509 14.9555 15.9154 15.9169 16.4411 16.5059 k = 0.2324 0.1342 0.3795 ( 853 PWs) bands (ev): -4.3784 -4.3765 2.5874 2.6583 4.0436 4.1415 7.2134 7.2147 12.7441 12.7682 14.8378 14.8425 15.8012 15.8094 16.3954 16.4539 k = 0.2271 0.1311 0.3709 ( 855 PWs) bands (ev): -4.4708 -4.4690 2.7110 2.7818 4.1518 4.2494 7.2873 7.2886 12.7983 12.8227 14.7268 14.7317 15.6877 15.7020 16.3556 16.4080 k = 0.2218 0.1281 0.3622 ( 855 PWs) bands (ev): -4.5623 -4.5606 2.8378 2.9085 4.2625 4.3599 7.3607 7.3620 12.8487 12.8734 14.6180 14.6231 15.5753 15.5954 16.3212 16.3678 k = 0.2165 0.1250 0.3536 ( 859 PWs) bands (ev): -4.6526 -4.6510 2.9678 3.0384 4.3756 4.4728 7.4334 7.4348 12.8950 12.9199 14.5114 14.5167 15.4643 15.4899 16.2922 16.3333 k = 0.2113 0.1220 0.3450 ( 857 PWs) bands (ev): -4.7417 -4.7402 3.1007 3.1714 4.4910 4.5880 7.5055 7.5069 12.9367 12.9619 14.4070 14.4126 15.3551 15.3857 16.2686 16.3042 k = 0.2060 0.1189 0.3364 ( 857 PWs) bands (ev): -4.8295 -4.8281 3.2366 3.3074 4.6085 4.7055 7.5766 7.5781 12.9737 12.9991 14.3049 14.3108 15.2477 15.2831 16.2500 16.2803 k = 0.2007 0.1159 0.3277 ( 857 PWs) bands (ev): -4.9158 -4.9145 3.3754 3.4463 4.7281 4.8251 7.6468 7.6483 13.0056 13.0312 14.2051 14.2113 15.1423 15.1823 16.2363 16.2614 k = 0.1954 0.1128 0.3191 ( 857 PWs) bands (ev): -5.0006 -4.9994 3.5170 3.5880 4.8497 4.9468 7.7159 7.7174 13.0322 13.0581 14.1076 14.1141 15.0389 15.0832 16.2271 16.2471 k = 0.1901 0.1098 0.3105 ( 861 PWs) bands (ev): -5.0838 -5.0827 3.6614 3.7325 4.9732 5.0703 7.7837 7.7853 13.0535 13.0797 14.0125 14.0194 14.9376 14.9859 16.2219 16.2369 k = 0.1849 0.1067 0.3019 ( 857 PWs) bands (ev): -5.1653 -5.1643 3.8084 3.8797 5.0984 5.1957 7.8503 7.8518 13.0694 13.0960 13.9197 13.9271 14.8383 14.8905 16.2202 16.2302 k = 0.1796 0.1037 0.2932 ( 857 PWs) bands (ev): -5.2451 -5.2442 3.9579 4.0294 5.2254 5.3228 7.9153 7.9169 13.0800 13.1069 13.8293 13.8372 14.7411 14.7970 16.2211 16.2262 k = 0.1743 0.1006 0.2846 ( 857 PWs) bands (ev): -5.3230 -5.3222 4.1099 4.1817 5.3538 5.4515 7.9788 7.9805 13.0853 13.1127 13.7414 13.7498 14.6460 14.7053 16.2237 16.2240 k = 0.1690 0.0976 0.2760 ( 857 PWs) bands (ev): -5.3990 -5.3983 4.2643 4.3363 5.4838 5.5816 8.0407 8.0424 13.0857 13.1137 13.6558 13.6650 14.5529 14.6154 16.2225 16.2270 k = 0.1637 0.0945 0.2674 ( 857 PWs) bands (ev): -5.4731 -5.4724 4.4210 4.4933 5.6150 5.7132 8.1009 8.1026 13.0814 13.1099 13.5728 13.5827 14.4618 14.5273 16.2205 16.2296 k = 0.1585 0.0915 0.2587 ( 853 PWs) bands (ev): -5.5452 -5.5446 4.5799 4.6525 5.7475 5.8459 8.1592 8.1610 13.0726 13.1018 13.4922 13.5030 14.3726 14.4408 16.2167 16.2304 k = 0.1532 0.0884 0.2501 ( 853 PWs) bands (ev): -5.6153 -5.6147 4.7410 4.8139 5.8811 5.9798 8.2156 8.2175 13.0596 13.0897 13.4141 13.4260 14.2854 14.3560 16.2096 16.2278 k = 0.1479 0.0854 0.2415 ( 855 PWs) bands (ev): -5.6833 -5.6828 4.9040 4.9773 6.0156 6.1146 8.2701 8.2720 13.0428 13.0739 13.3386 13.3517 14.2000 14.2726 16.1979 16.2203 k = 0.1426 0.0823 0.2329 ( 855 PWs) bands (ev): -5.7491 -5.7487 5.0689 5.1425 6.1508 6.2502 8.3225 8.3245 13.0225 13.0548 13.2656 13.2803 14.1163 14.1906 16.1801 16.2066 k = 0.1373 0.0793 0.2242 ( 855 PWs) bands (ev): -5.8128 -5.8124 5.2357 5.3096 6.2868 6.3864 8.3729 8.3749 12.9989 13.0325 13.1954 13.2119 14.0342 14.1099 16.1549 16.1852 k = 0.1320 0.0762 0.2156 ( 871 PWs) bands (ev): -5.8744 -5.8741 5.4040 5.4782 6.4232 6.5231 8.4211 8.4233 12.9720 13.0074 13.1280 13.1468 13.9538 14.0303 16.1210 16.1548 k = 0.1268 0.0732 0.2070 ( 871 PWs) bands (ev): -5.9337 -5.9334 5.5738 5.6483 6.5598 6.6600 8.4672 8.4695 12.9421 12.9793 13.0639 13.0852 13.8748 13.9517 16.0776 16.1145 k = 0.1215 0.0701 0.1984 ( 871 PWs) bands (ev): -5.9908 -5.9905 5.7450 5.8198 6.6965 6.7969 8.5112 8.5136 12.9088 12.9473 13.0043 13.0278 13.7972 13.8741 16.0239 16.0636 k = 0.1162 0.0671 0.1897 ( 871 PWs) bands (ev): -6.0456 -6.0453 5.9173 5.9924 6.8331 6.9336 8.5530 8.5555 12.8719 12.9089 12.9521 12.9750 13.7208 13.7971 15.9597 16.0015 k = 0.1109 0.0640 0.1811 ( 867 PWs) bands (ev): -6.0981 -6.0979 6.0906 6.1658 6.9694 7.0698 8.5927 8.5953 12.8316 12.8619 12.9096 12.9271 13.6455 13.7207 15.8850 15.9283 k = 0.1056 0.0610 0.1725 ( 875 PWs) bands (ev): -6.1483 -6.1481 6.2646 6.3400 7.1049 7.2053 8.6302 8.6329 12.7884 12.8105 12.8730 12.8835 13.5712 13.6447 15.8000 15.8443 k = 0.1004 0.0579 0.1639 ( 875 PWs) bands (ev): -6.1961 -6.1960 6.4391 6.5145 7.2396 7.3397 8.6655 8.6684 12.7437 12.7589 12.8381 12.8433 13.4978 13.5689 15.7058 15.7503 k = 0.0951 0.0549 0.1552 ( 875 PWs) bands (ev): -6.2416 -6.2415 6.6137 6.6891 7.3730 7.4727 8.6988 8.7018 12.6987 12.7088 12.8037 12.8055 13.4251 13.4932 15.6032 15.6473 k = 0.0898 0.0518 0.1466 ( 875 PWs) bands (ev): -6.2847 -6.2846 6.7882 6.8635 7.5048 7.6040 8.7300 8.7332 12.6543 12.6606 12.7692 12.7694 13.3530 13.4174 15.4935 15.5366 k = 0.0845 0.0488 0.1380 ( 875 PWs) bands (ev): -6.3254 -6.3254 6.9621 7.0371 7.6347 7.7330 8.7592 8.7626 12.6112 12.6144 12.7339 12.7352 13.2813 13.3414 15.3783 15.4196 k = 0.0792 0.0457 0.1294 ( 875 PWs) bands (ev): -6.3638 -6.3637 7.1349 7.2095 7.7622 7.8594 8.7865 8.7901 12.5696 12.5703 12.6995 12.7012 13.2098 13.2649 15.2591 15.2982 k = 0.0739 0.0427 0.1207 ( 871 PWs) bands (ev): -6.3997 -6.3996 7.3063 7.3801 7.8870 7.9826 8.8118 8.8156 12.5283 12.5297 12.6659 12.6676 13.1386 13.1880 15.1377 15.1739 k = 0.0687 0.0396 0.1121 ( 875 PWs) bands (ev): -6.4332 -6.4331 7.4754 7.5482 8.0084 8.1021 8.8354 8.8394 12.4884 12.4916 12.6332 12.6346 13.0674 13.1106 15.0159 15.0486 k = 0.0634 0.0366 0.1035 ( 875 PWs) bands (ev): -6.4642 -6.4642 7.6416 7.7130 8.1261 8.2172 8.8572 8.8615 12.4504 12.4553 12.6014 12.6023 12.9961 13.0328 14.8952 14.9243 k = 0.0581 0.0335 0.0949 ( 875 PWs) bands (ev): -6.4928 -6.4928 7.8038 7.8733 8.2396 8.3274 8.8774 8.8820 12.4143 12.4206 12.5707 12.5711 12.9249 12.9548 14.7777 14.8026 k = 0.0528 0.0305 0.0862 ( 875 PWs) bands (ev): -6.5189 -6.5189 7.9611 8.0278 8.3482 8.4320 8.8962 8.9010 12.3800 12.3875 12.5413 12.5413 12.8539 12.8770 14.6648 14.6856 k = 0.0475 0.0274 0.0776 ( 875 PWs) bands (ev): -6.5426 -6.5426 8.1119 8.1750 8.4516 8.5301 8.9137 8.9188 12.3475 12.3557 12.5132 12.5135 12.7834 12.8000 14.5583 14.5750 k = 0.0423 0.0244 0.0690 ( 875 PWs) bands (ev): -6.5638 -6.5638 8.2547 8.3126 8.5496 8.6212 8.9302 8.9354 12.3166 12.3251 12.4872 12.4876 12.7141 12.7249 14.4596 14.4723 k = 0.0370 0.0213 0.0604 ( 875 PWs) bands (ev): -6.5825 -6.5825 8.3871 8.4379 8.6419 8.7046 8.9460 8.9513 12.2872 12.2956 12.4634 12.4639 12.6470 12.6530 14.3699 14.3791 k = 0.0317 0.0183 0.0517 ( 875 PWs) bands (ev): -6.5988 -6.5988 8.5065 8.5477 8.7289 8.7799 8.9615 8.9666 12.2595 12.2669 12.4423 12.4427 12.5836 12.5860 14.2903 14.2965 k = 0.0264 0.0152 0.0431 ( 875 PWs) bands (ev): -6.6125 -6.6125 8.6096 8.6388 8.8102 8.8471 8.9772 8.9816 12.2334 12.2394 12.4241 12.4244 12.5258 12.5261 14.2218 14.2256 k = 0.0211 0.0122 0.0345 ( 875 PWs) bands (ev): -6.6237 -6.6237 8.6928 8.7098 8.8841 8.9062 8.9931 8.9964 12.2094 12.2134 12.4090 12.4092 12.4750 12.4756 14.1650 14.1670 k = 0.0158 0.0091 0.0259 ( 875 PWs) bands (ev): -6.6325 -6.6325 8.7539 8.7614 8.9469 8.9571 9.0086 9.0105 12.1882 12.1903 12.3971 12.3972 12.4344 12.4350 14.1203 14.1212 k = 0.0106 0.0061 0.0172 ( 869 PWs) bands (ev): -6.6388 -6.6388 8.7936 8.7958 8.9947 8.9978 9.0220 9.0227 12.1709 12.1717 12.3886 12.3886 12.4052 12.4054 14.0882 14.0884 k = 0.0053 0.0030 0.0086 ( 869 PWs) bands (ev): -6.6425 -6.6425 8.8151 8.8153 9.0243 9.0247 9.0311 9.0312 12.1595 12.1596 12.3834 12.3834 12.3876 12.3876 14.0687 14.0688 k = 0.0000 0.0000 0.0000 ( 869 PWs) bands (ev): -6.6438 -6.6438 8.8217 8.8217 9.0342 9.0342 9.0342 9.0342 12.1554 12.1554 12.3817 12.3817 12.3817 12.3817 14.0622 14.0622 k = 0.0000 0.0000 0.0000 ( 869 PWs) bands (ev): -6.6438 -6.6438 8.8217 8.8217 9.0342 9.0342 9.0342 9.0342 12.1554 12.1554 12.3817 12.3817 12.3817 12.3817 14.0622 14.0622 k = 0.0086 0.0050 0.0035 ( 869 PWs) bands (ev): -6.6425 -6.6425 8.8152 8.8152 9.0241 9.0241 9.0316 9.0316 12.1596 12.1596 12.3852 12.3852 12.3857 12.3857 14.0687 14.0687 k = 0.0172 0.0100 0.0070 ( 869 PWs) bands (ev): -6.6388 -6.6388 8.7941 8.7941 8.9957 8.9957 9.0236 9.0236 12.1718 12.1718 12.3958 12.3958 12.3975 12.3975 14.0884 14.0884 k = 0.0259 0.0149 0.0106 ( 872 PWs) bands (ev): -6.6325 -6.6325 8.7539 8.7539 8.9553 8.9553 9.0105 9.0105 12.1913 12.1913 12.4132 12.4132 12.4157 12.4157 14.1212 14.1212 k = 0.0345 0.0199 0.0141 ( 872 PWs) bands (ev): -6.6238 -6.6238 8.6884 8.6884 8.9115 8.9115 8.9924 8.9924 12.2173 12.2173 12.4372 12.4372 12.4389 12.4389 14.1673 14.1673 k = 0.0431 0.0249 0.0176 ( 875 PWs) bands (ev): -6.6125 -6.6125 8.5951 8.5951 8.8699 8.8699 8.9696 8.9696 12.2487 12.2487 12.4651 12.4651 12.4675 12.4675 14.2267 14.2267 k = 0.0517 0.0299 0.0211 ( 875 PWs) bands (ev): -6.5988 -6.5988 8.4768 8.4768 8.8305 8.8305 8.9425 8.9425 12.2843 12.2843 12.4927 12.4927 12.5037 12.5037 14.2992 14.2992 k = 0.0603 0.0348 0.0246 ( 875 PWs) bands (ev): -6.5826 -6.5826 8.3387 8.3387 8.7915 8.7915 8.9113 8.9113 12.3229 12.3229 12.5204 12.5204 12.5452 12.5452 14.3841 14.3841 k = 0.0690 0.0398 0.0282 ( 875 PWs) bands (ev): -6.5639 -6.5639 8.1847 8.1847 8.7516 8.7516 8.8765 8.8765 12.3626 12.3626 12.5481 12.5481 12.5917 12.5917 14.4806 14.4806 k = 0.0776 0.0448 0.0317 ( 875 PWs) bands (ev): -6.5427 -6.5427 8.0183 8.0183 8.7100 8.7100 8.8385 8.8385 12.4009 12.4009 12.5770 12.5770 12.6426 12.6426 14.5875 14.5875 k = 0.0862 0.0498 0.0352 ( 881 PWs) bands (ev): -6.5191 -6.5191 7.8419 7.8419 8.6665 8.6665 8.7977 8.7977 12.4342 12.4342 12.6098 12.6098 12.6973 12.6973 14.7032 14.7032 k = 0.0948 0.0547 0.0387 ( 881 PWs) bands (ev): -6.4930 -6.4930 7.6573 7.6573 8.6212 8.6212 8.7544 8.7544 12.4593 12.4593 12.6491 12.6491 12.7553 12.7553 14.8266 14.8266 k = 0.1034 0.0597 0.0422 ( 881 PWs) bands (ev): -6.4645 -6.4645 7.4663 7.4663 8.5742 8.5742 8.7090 8.7090 12.4749 12.4749 12.6960 12.6960 12.8160 12.8160 14.9560 14.9560 k = 0.1121 0.0647 0.0458 ( 881 PWs) bands (ev): -6.4335 -6.4335 7.2700 7.2700 8.5258 8.5258 8.6619 8.6619 12.4817 12.4817 12.7496 12.7496 12.8789 12.8789 15.0902 15.0902 k = 0.1207 0.0697 0.0493 ( 875 PWs) bands (ev): -6.4000 -6.4000 7.0695 7.0695 8.4763 8.4763 8.6133 8.6133 12.4814 12.4814 12.8080 12.8080 12.9433 12.9433 15.2279 15.2279 k = 0.1293 0.0747 0.0528 ( 875 PWs) bands (ev): -6.3642 -6.3642 6.8657 6.8657 8.4257 8.4257 8.5637 8.5637 12.4758 12.4758 12.8695 12.8695 13.0088 13.0088 15.3680 15.3680 k = 0.1379 0.0796 0.0563 ( 875 PWs) bands (ev): -6.3260 -6.3260 6.6594 6.6594 8.3745 8.3745 8.5133 8.5133 12.4660 12.4660 12.9330 12.9330 13.0749 13.0749 15.5095 15.5095 k = 0.1466 0.0846 0.0598 ( 875 PWs) bands (ev): -6.2854 -6.2854 6.4511 6.4511 8.3227 8.3227 8.4622 8.4622 12.4528 12.4528 12.9974 12.9974 13.1409 13.1409 15.6518 15.6518 k = 0.1552 0.0896 0.0633 ( 875 PWs) bands (ev): -6.2424 -6.2424 6.2414 6.2414 8.2707 8.2707 8.4109 8.4109 12.4371 12.4371 13.0619 13.0619 13.2064 13.2064 15.7939 15.7939 k = 0.1638 0.0946 0.0669 ( 875 PWs) bands (ev): -6.1971 -6.1971 6.0308 6.0308 8.2187 8.2187 8.3594 8.3594 12.4192 12.4192 13.1259 13.1259 13.2710 13.2710 15.9354 15.9354 k = 0.1724 0.0995 0.0704 ( 875 PWs) bands (ev): -6.1494 -6.1494 5.8197 5.8197 8.1667 8.1667 8.3079 8.3079 12.3997 12.3997 13.1889 13.1889 13.3341 13.3341 16.0757 16.0757 k = 0.1810 0.1045 0.0739 ( 875 PWs) bands (ev): -6.0995 -6.0995 5.6084 5.6084 8.1150 8.1150 8.2567 8.2567 12.3789 12.3789 13.2503 13.2503 13.3953 13.3953 16.2144 16.2144 k = 0.1897 0.1095 0.0774 ( 875 PWs) bands (ev): -6.0472 -6.0472 5.3973 5.3973 8.0637 8.0637 8.2059 8.2059 12.3571 12.3571 13.3096 13.3096 13.4543 13.4543 16.3511 16.3511 k = 0.1983 0.1145 0.0809 ( 872 PWs) bands (ev): -5.9928 -5.9928 5.1867 5.1867 8.0130 8.0130 8.1556 8.1556 12.3345 12.3345 13.3665 13.3665 13.5105 13.5105 16.4854 16.4854 k = 0.2069 0.1195 0.0845 ( 872 PWs) bands (ev): -5.9361 -5.9361 4.9768 4.9768 7.9629 7.9629 8.1059 8.1059 12.3114 12.3114 13.4206 13.4206 13.5638 13.5638 16.6169 16.6169 k = 0.2155 0.1244 0.0880 ( 872 PWs) bands (ev): -5.8772 -5.8772 4.7679 4.7679 7.9136 7.9136 8.0570 8.0570 12.2880 12.2880 13.4715 13.4715 13.6137 13.6137 16.7453 16.7453 k = 0.2241 0.1294 0.0915 ( 872 PWs) bands (ev): -5.8162 -5.8162 4.5601 4.5601 7.8652 7.8652 8.0090 8.0090 12.2644 12.2644 13.5191 13.5191 13.6601 13.6601 16.8701 16.8701 k = 0.2328 0.1344 0.0950 ( 872 PWs) bands (ev): -5.7532 -5.7532 4.3537 4.3537 7.8177 7.8177 7.9619 7.9619 12.2408 12.2408 13.5631 13.5631 13.7027 13.7027 16.9909 16.9909 k = 0.2414 0.1394 0.0985 ( 860 PWs) bands (ev): -5.6880 -5.6880 4.1489 4.1489 7.7713 7.7713 7.9158 7.9158 12.2172 12.2172 13.6033 13.6033 13.7415 13.7415 17.1075 17.1075 k = 0.2500 0.1443 0.1021 ( 860 PWs) bands (ev): -5.6209 -5.6209 3.9459 3.9459 7.7260 7.7260 7.8708 7.8708 12.1939 12.1939 13.6397 13.6397 13.7763 13.7763 17.2191 17.2191 k = 0.2586 0.1493 0.1056 ( 860 PWs) bands (ev): -5.5518 -5.5518 3.7448 3.7448 7.6818 7.6818 7.8270 7.8270 12.1709 12.1709 13.6723 13.6723 13.8072 13.8072 17.3253 17.3253 k = 0.2672 0.1543 0.1091 ( 854 PWs) bands (ev): -5.4809 -5.4809 3.5458 3.5458 7.6389 7.6389 7.7844 7.7844 12.1482 12.1482 13.7010 13.7010 13.8341 13.8341 17.4258 17.4258 k = 0.2759 0.1593 0.1126 ( 860 PWs) bands (ev): -5.4083 -5.4083 3.3490 3.3490 7.5973 7.5973 7.7430 7.7430 12.1259 12.1259 13.7259 13.7259 13.8571 13.8571 17.5199 17.5199 k = 0.2845 0.1642 0.1161 ( 863 PWs) bands (ev): -5.3339 -5.3339 3.1548 3.1548 7.5570 7.5570 7.7030 7.7030 12.1042 12.1042 13.7471 13.7471 13.8764 13.8764 17.6072 17.6072 k = 0.2931 0.1692 0.1197 ( 863 PWs) bands (ev): -5.2579 -5.2579 2.9631 2.9631 7.5180 7.5180 7.6643 7.6643 12.0831 12.0831 13.7648 13.7648 13.8921 13.8921 17.6874 17.6874 k = 0.3017 0.1742 0.1232 ( 854 PWs) bands (ev): -5.1805 -5.1805 2.7743 2.7743 7.4804 7.4804 7.6270 7.6270 12.0626 12.0626 13.7791 13.7791 13.9045 13.9045 17.7601 17.7601 k = 0.3103 0.1792 0.1267 ( 854 PWs) bands (ev): -5.1017 -5.1017 2.5885 2.5885 7.4443 7.4443 7.5911 7.5911 12.0428 12.0428 13.7904 13.7904 13.9138 13.9138 17.8251 17.8251 k = 0.3190 0.1842 0.1302 ( 854 PWs) bands (ev): -5.0217 -5.0217 2.4059 2.4059 7.4097 7.4097 7.5567 7.5567 12.0237 12.0237 13.7988 13.7988 13.9202 13.9202 17.8823 17.8823 k = 0.3276 0.1891 0.1337 ( 854 PWs) bands (ev): -4.9406 -4.9406 2.2267 2.2267 7.3765 7.3765 7.5238 7.5238 12.0053 12.0053 13.8045 13.8045 13.9241 13.9241 17.9319 17.9319 k = 0.3362 0.1941 0.1373 ( 854 PWs) bands (ev): -4.8587 -4.8587 2.0512 2.0512 7.3448 7.3448 7.4923 7.4923 11.9877 11.9877 13.8080 13.8080 13.9257 13.9257 17.9740 17.9740 k = 0.3448 0.1991 0.1408 ( 854 PWs) bands (ev): -4.7761 -4.7761 1.8795 1.8795 7.3147 7.3147 7.4624 7.4624 11.9709 11.9709 13.8094 13.8094 13.9253 13.9253 18.0092 18.0092 k = 0.3534 0.2041 0.1443 ( 857 PWs) bands (ev): -4.6932 -4.6932 1.7121 1.7121 7.2861 7.2861 7.4340 7.4340 11.9550 11.9550 13.8090 13.8090 13.9232 13.9232 18.0379 18.0379 k = 0.3621 0.2090 0.1478 ( 857 PWs) bands (ev): -4.6100 -4.6100 1.5492 1.5492 7.2591 7.2591 7.4072 7.4072 11.9398 11.9398 13.8071 13.8071 13.9196 13.9196 18.0608 18.0608 k = 0.3707 0.2140 0.1513 ( 857 PWs) bands (ev): -4.5271 -4.5271 1.3912 1.3912 7.2337 7.2337 7.3820 7.3820 11.9255 11.9255 13.8039 13.8039 13.9149 13.9149 18.0785 18.0785 k = 0.3793 0.2190 0.1549 ( 857 PWs) bands (ev): -4.4447 -4.4447 1.2384 1.2384 7.2099 7.2099 7.3583 7.3583 11.9121 11.9121 13.7998 13.7998 13.9092 13.9092 18.0916 18.0916 k = 0.3879 0.2240 0.1584 ( 857 PWs) bands (ev): -4.3633 -4.3633 1.0913 1.0913 7.1876 7.1876 7.3362 7.3362 11.8996 11.8996 13.7949 13.7949 13.9029 13.9029 18.1010 18.1010 k = 0.3966 0.2289 0.1619 ( 848 PWs) bands (ev): -4.2833 -4.2833 0.9505 0.9505 7.1670 7.1670 7.3158 7.3158 11.8880 11.8880 13.7894 13.7894 13.8962 13.8962 18.1072 18.1072 k = 0.4052 0.2339 0.1654 ( 853 PWs) bands (ev): -4.2053 -4.2053 0.8164 0.8164 7.1480 7.1480 7.2969 7.2969 11.8773 11.8773 13.7836 13.7836 13.8893 13.8893 18.1108 18.1108 k = 0.4138 0.2389 0.1689 ( 859 PWs) bands (ev): -4.1299 -4.1299 0.6897 0.6897 7.1307 7.1307 7.2797 7.2797 11.8674 11.8674 13.7777 13.7777 13.8823 13.8823 18.1123 18.1123 k = 0.4224 0.2439 0.1724 ( 859 PWs) bands (ev): -4.0578 -4.0578 0.5711 0.5711 7.1149 7.1149 7.2640 7.2640 11.8585 11.8585 13.7719 13.7719 13.8754 13.8754 18.1124 18.1124 k = 0.4310 0.2489 0.1760 ( 859 PWs) bands (ev): -3.9897 -3.9897 0.4614 0.4614 7.1009 7.1009 7.2501 7.2501 11.8506 11.8506 13.7662 13.7662 13.8689 13.8689 18.1114 18.1114 k = 0.4397 0.2538 0.1795 ( 859 PWs) bands (ev): -3.9265 -3.9265 0.3615 0.3615 7.0884 7.0884 7.2377 7.2377 11.8435 11.8435 13.7609 13.7609 13.8628 13.8628 18.1096 18.1096 k = 0.4483 0.2588 0.1830 ( 859 PWs) bands (ev): -3.8691 -3.8691 0.2722 0.2722 7.0776 7.0776 7.2270 7.2270 11.8374 11.8374 13.7560 13.7560 13.8573 13.8573 18.1075 18.1075 k = 0.4569 0.2638 0.1865 ( 853 PWs) bands (ev): -3.8184 -3.8184 0.1945 0.1945 7.0685 7.0685 7.2179 7.2179 11.8323 11.8323 13.7518 13.7518 13.8524 13.8524 18.1053 18.1053 k = 0.4655 0.2688 0.1900 ( 853 PWs) bands (ev): -3.7753 -3.7753 0.1294 0.1294 7.0610 7.0610 7.2105 7.2105 11.8280 11.8280 13.7481 13.7481 13.8483 13.8483 18.1032 18.1032 k = 0.4741 0.2737 0.1936 ( 856 PWs) bands (ev): -3.7408 -3.7408 0.0776 0.0776 7.0552 7.0552 7.2047 7.2047 11.8247 11.8247 13.7452 13.7452 13.8451 13.8451 18.1014 18.1014 k = 0.4828 0.2787 0.1971 ( 862 PWs) bands (ev): -3.7154 -3.7154 0.0400 0.0400 7.0511 7.0511 7.2006 7.2006 11.8224 11.8224 13.7431 13.7431 13.8427 13.8427 18.1000 18.1000 k = 0.4914 0.2837 0.2006 ( 862 PWs) bands (ev): -3.7000 -3.7000 0.0172 0.0172 7.0486 7.0486 7.1981 7.1981 11.8210 11.8210 13.7418 13.7418 13.8413 13.8413 18.0991 18.0991 k = 0.5000 0.2887 0.2041 ( 862 PWs) bands (ev): -3.6948 -3.6948 0.0095 0.0095 7.0477 7.0477 7.1973 7.1973 11.8205 11.8205 13.7414 13.7414 13.8408 13.8408 18.0988 18.0988 k = 0.5000 0.2887 0.2041 ( 862 PWs) bands (ev): -3.6948 -3.6948 0.0095 0.0095 7.0477 7.0477 7.1973 7.1973 11.8205 11.8205 13.7414 13.7414 13.8408 13.8408 18.0988 18.0988 k = 0.5030 0.2799 0.2091 ( 862 PWs) bands (ev): -3.6938 -3.6936 0.0102 0.0108 7.0398 7.0434 7.1912 7.1912 11.8272 11.8295 13.7418 13.7434 13.8422 13.8423 18.1005 18.1057 k = 0.5061 0.2711 0.2141 ( 862 PWs) bands (ev): -3.6905 -3.6902 0.0130 0.0143 7.0185 7.0261 7.1737 7.1743 11.8494 11.8538 13.7431 13.7466 13.8480 13.8484 18.1107 18.1209 k = 0.5091 0.2623 0.2191 ( 860 PWs) bands (ev): -3.6850 -3.6846 0.0179 0.0198 6.9815 6.9935 7.1481 7.1498 11.8858 11.8921 13.7421 13.7475 13.8622 13.8631 18.1288 18.1440 k = 0.5122 0.2535 0.2240 ( 855 PWs) bands (ev): -3.6773 -3.6767 0.0248 0.0273 6.9266 6.9430 7.1182 7.1211 11.9346 11.9426 13.7369 13.7437 13.8882 13.8894 18.1538 18.1740 k = 0.5152 0.2447 0.2290 ( 855 PWs) bands (ev): -3.6673 -3.6666 0.0337 0.0369 6.8535 6.8736 7.0866 7.0902 11.9934 12.0027 13.7284 13.7362 13.9265 13.9278 18.1847 18.2096 k = 0.5183 0.2359 0.2340 ( 855 PWs) bands (ev): -3.6552 -3.6543 0.0446 0.0486 6.7635 6.7867 7.0537 7.0576 12.0590 12.0690 13.7200 13.7280 13.9762 13.9774 18.2198 18.2494 k = 0.5213 0.2271 0.2390 ( 851 PWs) bands (ev): -3.6409 -3.6399 0.0576 0.0623 6.6591 6.6848 7.0189 7.0228 12.1276 12.1378 13.7151 13.7229 14.0361 14.0372 18.2575 18.2915 k = 0.5244 0.2183 0.2440 ( 853 PWs) bands (ev): -3.6244 -3.6233 0.0725 0.0779 6.5423 6.5702 6.9818 6.9855 12.1950 12.2047 13.7179 13.7248 14.1053 14.1063 18.2957 18.3341 k = 0.5274 0.2095 0.2489 ( 853 PWs) bands (ev): -3.6058 -3.6045 0.0893 0.0955 6.4152 6.4451 6.9422 6.9457 12.2564 12.2649 13.7326 13.7380 14.1834 14.1842 18.3326 18.3749 k = 0.5305 0.2007 0.2539 ( 851 PWs) bands (ev): -3.5850 -3.5836 0.1080 0.1151 6.2795 6.3114 6.9000 6.9032 12.3074 12.3140 13.7633 13.7666 14.2697 14.2704 18.3657 18.4118 k = 0.5335 0.1919 0.2589 ( 849 PWs) bands (ev): -3.5621 -3.5605 0.1286 0.1365 6.1367 6.1704 6.8553 6.8583 12.3441 12.3483 13.8132 13.8139 14.3637 14.3643 18.3930 18.4425 k = 0.5366 0.1831 0.2639 ( 851 PWs) bands (ev): -3.5371 -3.5354 0.1509 0.1598 5.9882 6.0236 6.8083 6.8112 12.3642 12.3657 13.8817 13.8840 14.4651 14.4656 18.4123 18.4648 k = 0.5396 0.1743 0.2688 ( 849 PWs) bands (ev): -3.5101 -3.5083 0.1750 0.1849 5.8350 5.8722 6.7592 6.7620 12.3662 12.3675 13.9702 13.9754 14.5734 14.5738 18.4215 18.4768 k = 0.5427 0.1655 0.2738 ( 848 PWs) bands (ev): -3.4810 -3.4791 0.2007 0.2117 5.6782 5.7171 6.7084 6.7110 12.3513 12.3551 14.0778 14.0856 14.6881 14.6884 18.4190 18.4766 k = 0.5457 0.1567 0.2788 ( 850 PWs) bands (ev): -3.4500 -3.4480 0.2280 0.2401 5.5187 5.5593 6.6561 6.6585 12.3233 12.3293 14.2018 14.2119 14.8089 14.8091 18.4032 18.4627 k = 0.5488 0.1479 0.2838 ( 852 PWs) bands (ev): -3.4170 -3.4149 0.2567 0.2701 5.3573 5.3996 6.6025 6.6048 12.2849 12.2927 14.3395 14.3514 14.9353 14.9355 18.3732 18.4343 k = 0.5518 0.1391 0.2888 ( 852 PWs) bands (ev): -3.3822 -3.3800 0.2869 0.3016 5.1947 5.2388 6.5479 6.5501 12.2385 12.2477 14.4881 14.5013 15.0669 15.0670 18.3286 18.3909 k = 0.5549 0.1303 0.2937 ( 848 PWs) bands (ev): -3.3455 -3.3432 0.3182 0.3345 5.0316 5.0775 6.4925 6.4947 12.1861 12.1964 14.6452 14.6594 15.2033 15.2034 18.2695 18.3329 k = 0.5579 0.1215 0.2987 ( 848 PWs) bands (ev): -3.3070 -3.3047 0.3506 0.3685 4.8686 4.9165 6.4366 6.4387 12.1294 12.1405 14.8086 14.8234 15.3441 15.3442 18.1967 18.2610 k = 0.5610 0.1127 0.3037 ( 848 PWs) bands (ev): -3.2669 -3.2645 0.3839 0.4036 4.7064 4.7563 6.3805 6.3825 12.0696 12.0815 14.9765 14.9914 15.4887 15.4889 18.1115 18.1767 k = 0.5640 0.1039 0.3087 ( 850 PWs) bands (ev): -3.2252 -3.2227 0.4179 0.4395 4.5455 4.5976 6.3243 6.3263 12.0079 12.0203 15.1470 15.1617 15.6368 15.6371 18.0159 18.0821 k = 0.5671 0.0951 0.3137 ( 850 PWs) bands (ev): -3.1820 -3.1795 0.4524 0.4761 4.3866 4.4410 6.2682 6.2701 11.9450 11.9578 15.3182 15.3322 15.7878 15.7883 17.9123 17.9797 k = 0.5701 0.0863 0.3186 ( 850 PWs) bands (ev): -3.1373 -3.1348 0.4871 0.5131 4.2302 4.2872 6.2125 6.2144 11.8817 11.8948 15.4879 15.5006 15.9412 15.9421 17.8038 17.8728 k = 0.5732 0.0774 0.3236 ( 850 PWs) bands (ev): -3.0914 -3.0889 0.5216 0.5502 4.0771 4.1368 6.1573 6.1591 11.8185 11.8317 15.6530 15.6638 16.0964 16.0980 17.6944 17.7655 k = 0.5762 0.0686 0.3286 ( 850 PWs) bands (ev): -3.0444 -3.0419 0.5556 0.5870 3.9279 3.9905 6.1027 6.1045 11.7557 11.7691 15.8092 15.8172 16.2527 16.2553 17.5897 17.6633 k = 0.5793 0.0598 0.3336 ( 852 PWs) bands (ev): -2.9964 -2.9939 0.5887 0.6230 3.7834 3.8491 6.0489 6.0507 11.6938 11.7073 15.9495 15.9541 16.4094 16.4135 17.4974 17.5739 k = 0.5823 0.0510 0.3385 ( 849 PWs) bands (ev): -2.9476 -2.9451 0.6204 0.6580 3.6444 3.7134 5.9961 5.9978 11.6331 11.6465 16.0635 16.0645 16.5659 16.5721 17.4291 17.5080 k = 0.5854 0.0422 0.3435 ( 849 PWs) bands (ev): -2.8983 -2.8958 0.6501 0.6912 3.5118 3.5844 5.9443 5.9461 11.5737 11.5872 16.1361 16.1371 16.7218 16.7303 17.3990 17.4785 k = 0.5884 0.0334 0.3485 ( 849 PWs) bands (ev): -2.8486 -2.8462 0.6772 0.7220 3.3867 3.4630 5.8938 5.8955 11.5160 11.5293 16.1585 16.1585 16.8769 16.8879 17.4189 17.4963 k = 0.5915 0.0246 0.3535 ( 851 PWs) bands (ev): -2.7988 -2.7965 0.7010 0.7496 3.2700 3.3502 5.8446 5.8463 11.4600 11.4733 16.1262 16.1303 17.0315 17.0443 17.4897 17.5628 k = 0.5945 0.0158 0.3585 ( 851 PWs) bands (ev): -2.7493 -2.7471 0.7209 0.7735 3.1630 3.2471 5.7968 5.7985 11.4059 11.4191 16.0505 16.0597 17.1852 17.1989 17.6010 17.6697 k = 0.5976 0.0070 0.3634 ( 851 PWs) bands (ev): -2.7004 -2.6983 0.7361 0.7926 3.0669 3.1549 5.7505 5.7521 11.3538 11.3669 15.9448 15.9590 17.3370 17.3508 17.7394 17.8050 k = 0.6006-0.0018 0.3684 ( 851 PWs) bands (ev): -2.6526 -2.6506 0.7462 0.8064 2.9829 3.0746 5.7057 5.7074 11.3039 11.3168 15.8199 15.8383 17.4857 17.4991 17.8942 17.9585 k = 0.6037-0.0106 0.3734 ( 851 PWs) bands (ev): -2.6062 -2.6045 0.7507 0.8142 2.9121 3.0071 5.6627 5.6644 11.2562 11.2689 15.6831 15.7047 17.6300 17.6428 18.0580 18.1225 k = 0.6067-0.0194 0.3784 ( 849 PWs) bands (ev): -2.5620 -2.5603 0.7495 0.8158 2.8554 2.9530 5.6214 5.6231 11.2107 11.2232 15.5389 15.5632 17.7686 17.7809 18.2255 18.2916 k = 0.6098-0.0282 0.3834 ( 851 PWs) bands (ev): -2.5203 -2.5189 0.7428 0.8111 2.8133 2.9129 5.5819 5.5836 11.1676 11.1799 15.3903 15.4166 17.9005 17.9123 18.3921 18.4610 k = 0.6128-0.0370 0.3883 ( 851 PWs) bands (ev): -2.4820 -2.4807 0.7313 0.8009 2.7859 2.8868 5.5443 5.5460 11.1269 11.1390 15.2391 15.2671 18.0248 18.0362 18.5530 18.6260 k = 0.6159-0.0458 0.3933 ( 846 PWs) bands (ev): -2.4477 -2.4466 0.7159 0.7861 2.7730 2.8743 5.5086 5.5104 11.0886 11.1004 15.0868 15.1161 18.1405 18.1517 18.7024 18.7805 k = 0.6189-0.0546 0.3983 ( 854 PWs) bands (ev): -2.4182 -2.4173 0.6982 0.7681 2.7738 2.8748 5.4749 5.4767 11.0527 11.0643 14.9343 14.9646 18.2470 18.2582 18.8321 18.9158 k = 0.6220-0.0634 0.4033 ( 858 PWs) bands (ev): -2.3943 -2.3935 0.6798 0.7488 2.7873 2.8874 5.4433 5.4451 11.0193 11.0306 14.7824 14.8136 18.3437 18.3551 18.9337 19.0215 k = 0.6250-0.0722 0.4082 ( 858 PWs) bands (ev): -2.3768 -2.3762 0.6625 0.7301 2.8125 2.9112 5.4137 5.4156 10.9883 10.9993 14.6316 14.6635 18.4301 18.4421 19.0012 19.0895 k = 0.6250-0.0722 0.4082 ( 858 PWs) bands (ev): -2.3768 -2.3762 0.6625 0.7301 2.8125 2.9112 5.4137 5.4156 10.9883 10.9993 14.6316 14.6635 18.4301 18.4421 19.0012 19.0895 k = 0.6198-0.0692 0.4168 ( 858 PWs) bands (ev): -2.3762 -2.3755 0.6629 0.7305 2.8135 2.9123 5.4038 5.4098 10.9993 11.0111 14.6323 14.6642 18.4062 18.4334 18.9896 19.0769 k = 0.6146-0.0662 0.4253 ( 852 PWs) bands (ev): -2.3741 -2.3735 0.6642 0.7318 2.8167 2.9156 5.3777 5.3892 11.0322 11.0460 14.6346 14.6664 18.3492 18.3964 18.9546 19.0396 k = 0.6094-0.0631 0.4338 ( 852 PWs) bands (ev): -2.3707 -2.3701 0.6661 0.7340 2.8221 2.9210 5.3369 5.3538 11.0866 11.1031 14.6384 14.6699 18.2685 18.3320 18.8966 18.9787 k = 0.6042-0.0601 0.4423 ( 848 PWs) bands (ev): -2.3660 -2.3654 0.6689 0.7370 2.8295 2.9287 5.2824 5.3045 11.1619 11.1811 14.6436 14.6749 18.1703 18.2458 18.8171 18.8963 k = 0.5990-0.0571 0.4508 ( 848 PWs) bands (ev): -2.3600 -2.3594 0.6723 0.7407 2.8390 2.9385 5.2156 5.2426 11.2566 11.2787 14.6503 14.6812 18.0595 18.1437 18.7184 18.7951 k = 0.5938-0.0541 0.4593 ( 856 PWs) bands (ev): -2.3528 -2.3522 0.6764 0.7451 2.8507 2.9505 5.1380 5.1696 11.3696 11.3943 14.6585 14.6888 17.9397 18.0302 18.6030 18.6780 k = 0.5885-0.0511 0.4678 ( 855 PWs) bands (ev): -2.3444 -2.3439 0.6811 0.7502 2.8644 2.9646 5.0512 5.0871 11.4993 11.5262 14.6679 14.6977 17.8137 17.9087 18.4739 18.5479 k = 0.5833-0.0481 0.4763 ( 855 PWs) bands (ev): -2.3349 -2.3344 0.6863 0.7559 2.8801 2.9808 4.9569 4.9968 11.6440 11.6729 14.6788 14.7077 17.6835 17.7819 18.3337 18.4072 k = 0.5781-0.0451 0.4848 ( 855 PWs) bands (ev): -2.3244 -2.3239 0.6919 0.7620 2.8979 2.9991 4.8568 4.9002 11.8021 11.8328 14.6908 14.7189 17.5504 17.6515 18.1847 18.2583 k = 0.5729-0.0421 0.4933 ( 855 PWs) bands (ev): -2.3130 -2.3125 0.6977 0.7685 2.9176 3.0196 4.7522 4.7991 11.9722 12.0042 14.7041 14.7311 17.4157 17.5188 18.0289 18.1031 k = 0.5677-0.0391 0.5018 ( 857 PWs) bands (ev): -2.3008 -2.3004 0.7038 0.7753 2.9392 3.0420 4.6448 4.6947 12.1528 12.1858 14.7184 14.7443 17.2803 17.3851 17.8681 17.9433 k = 0.5625-0.0361 0.5103 ( 857 PWs) bands (ev): -2.2879 -2.2875 0.7099 0.7822 2.9627 3.0665 4.5360 4.5886 12.3423 12.3760 14.7339 14.7584 17.1449 17.2510 17.7036 17.7804 k = 0.5573-0.0331 0.5188 ( 857 PWs) bands (ev): -2.2745 -2.2742 0.7159 0.7890 2.9879 3.0928 4.4270 4.4821 12.5394 12.5734 14.7503 14.7732 17.0102 17.1174 17.5370 17.6159 k = 0.5521-0.0301 0.5273 ( 859 PWs) bands (ev): -2.2608 -2.2605 0.7217 0.7957 3.0148 3.1211 4.3191 4.3763 12.7425 12.7763 14.7678 14.7888 16.8768 16.9847 17.3695 17.4512 k = 0.5469-0.0271 0.5358 ( 859 PWs) bands (ev): -2.2469 -2.2467 0.7271 0.8020 3.0432 3.1512 4.2136 4.2725 12.9500 12.9832 14.7864 14.8053 16.7452 16.8534 17.2025 17.2876 k = 0.5417-0.0241 0.5443 ( 865 PWs) bands (ev): -2.2332 -2.2330 0.7320 0.8079 3.0729 3.1828 4.1116 4.1718 13.1597 13.1917 14.8065 14.8229 16.6158 16.7237 17.0375 17.1269 k = 0.5365-0.0210 0.5528 ( 863 PWs) bands (ev): -2.2197 -2.2197 0.7363 0.8131 3.1037 3.2160 4.0145 4.0752 13.3691 13.3992 14.8288 14.8423 16.4890 16.5955 16.8765 16.9710 k = 0.5312-0.0180 0.5613 ( 863 PWs) bands (ev): -2.2070 -2.2069 0.7399 0.8176 3.1350 3.2503 3.9234 3.9840 13.5745 13.6017 14.8547 14.8649 16.3651 16.4682 16.7221 16.8224 k = 0.5260-0.0150 0.5698 ( 863 PWs) bands (ev): -2.1951 -2.1951 0.7426 0.8213 3.1663 3.2853 3.8401 3.8991 13.7704 13.7934 14.8868 14.8933 16.2441 16.3413 16.5780 16.6842 k = 0.5208-0.0120 0.5784 ( 863 PWs) bands (ev): -2.1846 -2.1844 0.7446 0.8240 3.1966 3.3203 3.7663 3.8221 13.9484 13.9658 14.9289 14.9321 16.1265 16.2144 16.4487 16.5599 k = 0.5156-0.0090 0.5869 ( 863 PWs) bands (ev): -2.1757 -2.1755 0.7458 0.8259 3.2242 3.3537 3.7047 3.7544 14.0971 14.1081 14.9842 14.9875 16.0142 16.0901 16.3385 16.4535 k = 0.5104-0.0060 0.5954 ( 863 PWs) bands (ev): -2.1688 -2.1685 0.7463 0.8269 3.2469 3.3829 3.6590 3.6987 14.2050 14.2098 15.0539 15.0582 15.9140 15.9760 16.2517 16.3686 k = 0.5052-0.0030 0.6039 ( 869 PWs) bands (ev): -2.1643 -2.1641 0.7463 0.8273 3.2618 3.4033 3.6332 3.6589 14.2662 14.2672 15.1234 15.1264 15.8415 15.8880 16.1930 16.3099 k = 0.5000 0.0000 0.6124 ( 876 PWs) bands (ev): -2.1627 -2.1625 0.7463 0.8274 3.2667 3.4105 3.6272 3.6427 14.2842 14.2851 15.1549 15.1573 15.8177 15.8518 16.1705 16.2867 k = 0.5000 0.0000 0.6124 ( 876 PWs) bands (ev): -2.1627 -2.1625 0.7463 0.8274 3.2667 3.4105 3.6272 3.6427 14.2842 14.2851 15.1549 15.1573 15.8177 15.8518 16.1705 16.2867 k = 0.5000 0.0061 0.6037 ( 866 PWs) bands (ev): -2.1658 -2.1655 0.7479 0.8290 3.2546 3.3946 3.6382 3.6704 14.2740 14.2750 15.1604 15.1624 15.7871 15.8482 16.1943 16.3163 k = 0.5000 0.0123 0.5950 ( 866 PWs) bands (ev): -2.1748 -2.1746 0.7525 0.8336 3.2244 3.3578 3.6792 3.7286 14.2448 14.2461 15.1724 15.1749 15.7359 15.8214 16.2602 16.3891 k = 0.5000 0.0184 0.5863 ( 864 PWs) bands (ev): -2.1896 -2.1895 0.7599 0.8407 3.1868 3.3149 3.7415 3.8010 14.2002 14.2018 15.1790 15.1880 15.6956 15.7885 16.3527 16.4846 k = 0.5000 0.0246 0.5776 ( 864 PWs) bands (ev): -2.2100 -2.2099 0.7693 0.8499 3.1493 3.2737 3.8162 3.8816 14.1444 14.1464 15.1673 15.1891 15.6833 15.7710 16.4596 16.5926 k = 0.5000 0.0307 0.5689 ( 864 PWs) bands (ev): -2.2357 -2.2355 0.7800 0.8602 3.1160 3.2379 3.8990 3.9679 14.0810 14.0834 15.1306 15.1690 15.7057 15.7814 16.5751 16.7086 k = 0.5000 0.0369 0.5603 ( 864 PWs) bands (ev): -2.2662 -2.2657 0.7912 0.8707 3.0895 3.2096 3.9873 4.0584 14.0129 14.0158 15.0724 15.1264 15.7578 15.8209 16.6966 16.8304 k = 0.5000 0.0430 0.5516 ( 864 PWs) bands (ev): -2.3009 -2.3003 0.8018 0.8802 3.0716 3.1901 4.0800 4.1524 13.9423 13.9455 15.0008 15.0667 15.8303 15.8835 16.8226 16.9568 k = 0.5000 0.0491 0.5429 ( 862 PWs) bands (ev): -2.3395 -2.3386 0.8109 0.8878 3.0636 3.1805 4.1760 4.2493 13.8705 13.8742 14.9220 14.9964 15.9157 15.9620 16.9523 17.0870 k = 0.5000 0.0553 0.5342 ( 862 PWs) bands (ev): -2.3813 -2.3802 0.8174 0.8925 3.0665 3.1815 4.2747 4.3485 13.7987 13.8028 14.8398 14.9203 16.0093 16.0508 17.0850 17.2205 k = 0.5000 0.0614 0.5255 ( 856 PWs) bands (ev): -2.4258 -2.4245 0.8207 0.8934 3.0810 3.1939 4.3757 4.4497 13.7276 13.7323 14.7564 14.8413 16.1080 16.1460 17.2203 17.3569 k = 0.5000 0.0676 0.5168 ( 856 PWs) bands (ev): -2.4727 -2.4712 0.8201 0.8900 3.1075 3.2179 4.4785 4.5526 13.6580 13.6630 14.6731 14.7612 16.2096 16.2450 17.3577 17.4959 k = 0.5000 0.0737 0.5081 ( 854 PWs) bands (ev): -2.5214 -2.5197 0.8151 0.8818 3.1461 3.2536 4.5827 4.6568 13.5901 13.5956 14.5906 14.6813 16.3124 16.3457 17.4965 17.6369 k = 0.5000 0.0798 0.4995 ( 854 PWs) bands (ev): -2.5715 -2.5696 0.8057 0.8688 3.1966 3.3010 4.6881 4.7620 13.5244 13.5304 14.5094 14.6022 16.4149 16.4464 17.6360 17.7795 k = 0.5000 0.0860 0.4908 ( 854 PWs) bands (ev): -2.6227 -2.6207 0.7919 0.8512 3.2586 3.3596 4.7943 4.8680 13.4612 13.4675 14.4300 14.5245 16.5155 16.5452 17.7749 17.9227 k = 0.5000 0.0921 0.4821 ( 852 PWs) bands (ev): -2.6745 -2.6724 0.7738 0.8293 3.3315 3.4290 4.9011 4.9745 13.4005 13.4072 14.3526 14.4486 16.6125 16.6401 17.9111 18.0651 k = 0.5000 0.0983 0.4734 ( 852 PWs) bands (ev): -2.7267 -2.7245 0.7519 0.8034 3.4146 3.5086 5.0081 5.0811 13.3427 13.3496 14.2774 14.3747 16.7036 16.7286 18.0406 18.2038 k = 0.5000 0.1044 0.4647 ( 856 PWs) bands (ev): -2.7790 -2.7766 0.7267 0.7743 3.5071 3.5976 5.1152 5.1877 13.2876 13.2948 14.2045 14.3030 16.7859 16.8072 18.1559 18.3322 k = 0.5000 0.1106 0.4560 ( 856 PWs) bands (ev): -2.8311 -2.8287 0.6985 0.7424 3.6081 3.6953 5.2220 5.2940 13.2355 13.2429 14.1342 14.2338 16.8550 16.8712 18.2427 18.4340 k = 0.5000 0.1167 0.4473 ( 858 PWs) bands (ev): -2.8828 -2.8803 0.6679 0.7083 3.7170 3.8010 5.3283 5.3997 13.1863 13.1938 14.0665 14.1672 16.9053 16.9142 18.2817 18.4765 k = 0.5000 0.1228 0.4386 ( 854 PWs) bands (ev): -2.9339 -2.9313 0.6355 0.6725 3.8329 3.9138 5.4338 5.5045 13.1399 13.1475 14.0018 14.1035 16.9256 16.9314 18.2691 18.4434 k = 0.5000 0.1290 0.4300 ( 854 PWs) bands (ev): -2.9841 -2.9815 0.6016 0.6355 3.9551 4.0331 5.5382 5.6081 13.0962 13.1038 13.9401 14.0428 16.9016 16.9203 18.2319 18.3768 k = 0.5000 0.1351 0.4213 ( 848 PWs) bands (ev): -3.0334 -3.0308 0.5667 0.5978 4.0830 4.1583 5.6413 5.7103 13.0550 13.0625 13.8817 13.9852 16.8338 16.8686 18.2013 18.3199 k = 0.5000 0.1413 0.4126 ( 848 PWs) bands (ev): -3.0815 -3.0789 0.5312 0.5597 4.2158 4.2886 5.7428 5.8108 13.0161 13.0234 13.8269 13.9311 16.7245 16.7747 18.1914 18.2898 k = 0.5000 0.1474 0.4039 ( 848 PWs) bands (ev): -3.1284 -3.1258 0.4955 0.5215 4.3531 4.4235 5.8425 5.9094 12.9790 12.9861 13.7759 13.8807 16.5813 16.6441 18.2027 18.2871 k = 0.5000 0.1536 0.3952 ( 848 PWs) bands (ev): -3.1739 -3.1714 0.4599 0.4836 4.4942 4.5624 5.9400 6.0056 12.9433 12.9501 13.7291 13.8342 16.4141 16.4860 18.2296 18.3051 k = 0.5000 0.1597 0.3865 ( 848 PWs) bands (ev): -3.2180 -3.2155 0.4246 0.4462 4.6387 4.7047 6.0351 6.0994 12.9085 12.9148 13.6870 13.7920 16.2314 16.3094 18.2655 18.3356 k = 0.5000 0.1658 0.3778 ( 848 PWs) bands (ev): -3.2604 -3.2580 0.3898 0.4095 4.7859 4.8499 6.1277 6.1903 12.8739 12.8794 13.6499 13.7544 16.0396 16.1216 18.3050 18.3719 k = 0.5000 0.1720 0.3692 ( 852 PWs) bands (ev): -3.3012 -3.2989 0.3558 0.3738 4.9353 4.9974 6.2173 6.2783 12.8388 12.8433 13.6183 13.7217 15.8438 15.9281 18.3440 18.4088 k = 0.5000 0.1781 0.3605 ( 852 PWs) bands (ev): -3.3403 -3.3380 0.3229 0.3392 5.0865 5.1466 6.3038 6.3629 12.8023 12.8055 13.5926 13.6943 15.6475 15.7329 18.3791 18.4425 k = 0.5000 0.1843 0.3518 ( 854 PWs) bands (ev): -3.3775 -3.3753 0.2910 0.3059 5.2387 5.2970 6.3870 6.4440 12.7636 12.7653 13.5731 13.6724 15.4534 15.5391 18.4082 18.4703 k = 0.5000 0.1904 0.3431 ( 848 PWs) bands (ev): -3.4129 -3.4108 0.2604 0.2739 5.3915 5.4479 6.4666 6.5213 12.7212 12.7225 13.5601 13.6561 15.2641 15.3491 18.4295 18.4903 k = 0.5000 0.1965 0.3344 ( 850 PWs) bands (ev): -3.4464 -3.4444 0.2312 0.2434 5.5442 5.5987 6.5424 6.5947 12.6737 12.6768 13.5533 13.6455 15.0814 15.1651 18.4420 18.5013 k = 0.5000 0.2027 0.3257 ( 854 PWs) bands (ev): -3.4779 -3.4760 0.2035 0.2146 5.6961 5.7486 6.6143 6.6641 12.6214 12.6267 13.5528 13.6405 14.9073 14.9890 18.4452 18.5025 k = 0.5000 0.2088 0.3170 ( 852 PWs) bands (ev): -3.5074 -3.5056 0.1774 0.1874 5.8463 5.8969 6.6822 6.7291 12.5643 12.5717 13.5580 13.6407 14.7434 14.8223 18.4389 18.4941 k = 0.5000 0.2150 0.3084 ( 854 PWs) bands (ev): -3.5348 -3.5331 0.1530 0.1620 5.9941 6.0424 6.7459 6.7898 12.5021 12.5113 13.5684 13.6457 14.5911 14.6665 18.4238 18.4763 k = 0.5000 0.2211 0.2997 ( 854 PWs) bands (ev): -3.5602 -3.5586 0.1303 0.1383 6.1383 6.1843 6.8053 6.8460 12.4351 12.4457 13.5833 13.6548 14.4517 14.5228 18.4008 18.4503 k = 0.5000 0.2273 0.2910 ( 856 PWs) bands (ev): -3.5834 -3.5820 0.1095 0.1166 6.2778 6.3213 6.8604 6.8978 12.3639 12.3754 13.6018 13.6673 14.3262 14.3922 18.3711 18.4173 k = 0.5000 0.2334 0.2823 ( 856 PWs) bands (ev): -3.6045 -3.6032 0.0905 0.0968 6.4112 6.4519 6.9114 6.9451 12.2896 12.3015 13.6229 13.6822 14.2152 14.2754 18.3365 18.3790 k = 0.5000 0.2395 0.2736 ( 854 PWs) bands (ev): -3.6234 -3.6222 0.0734 0.0789 6.5371 6.5746 6.9582 6.9881 12.2135 12.2254 13.6456 13.6985 14.1188 14.1726 18.2987 18.3372 k = 0.5000 0.2457 0.2649 ( 854 PWs) bands (ev): -3.6401 -3.6391 0.0583 0.0630 6.6535 6.6874 7.0012 7.0269 12.1377 12.1492 13.6688 13.7149 14.0372 14.0839 18.2597 18.2940 k = 0.5000 0.2518 0.2562 ( 854 PWs) bands (ev): -3.6546 -3.6538 0.0452 0.0491 6.7584 6.7881 7.0409 7.0620 12.0646 12.0752 13.6912 13.7300 13.9702 14.0093 18.2215 18.2513 k = 0.5000 0.2580 0.2476 ( 852 PWs) bands (ev): -3.6669 -3.6662 0.0341 0.0373 6.8494 6.8741 7.0780 7.0939 11.9966 12.0061 13.7114 13.7422 13.9179 13.9485 18.1859 18.2111 k = 0.5000 0.2641 0.2389 ( 854 PWs) bands (ev): -3.6770 -3.6764 0.0250 0.0276 6.9240 6.9429 7.1131 7.1235 11.9364 11.9445 13.7277 13.7495 13.8804 13.9016 18.1547 18.1750 k = 0.5000 0.2702 0.2302 ( 858 PWs) bands (ev): -3.6848 -3.6844 0.0180 0.0199 6.9802 6.9932 7.1456 7.1509 11.8868 11.8931 13.7383 13.7508 13.8575 13.8690 18.1292 18.1446 k = 0.5000 0.2764 0.2215 ( 862 PWs) bands (ev): -3.6904 -3.6901 0.0131 0.0143 7.0180 7.0258 7.1728 7.1746 11.8498 11.8542 13.7423 13.7475 13.8464 13.8503 18.1109 18.1212 k = 0.5000 0.2825 0.2128 ( 862 PWs) bands (ev): -3.6937 -3.6936 0.0102 0.0109 7.0397 7.0433 7.1910 7.1912 11.8273 11.8296 13.7418 13.7435 13.8420 13.8425 18.1006 18.1057 k = 0.5000 0.2887 0.2041 ( 862 PWs) bands (ev): -3.6948 -3.6948 0.0095 0.0095 7.0477 7.0477 7.1973 7.1973 11.8205 11.8205 13.7414 13.7414 13.8408 13.8408 18.0988 18.0988 k = 0.5000 0.2887 0.2041 ( 862 PWs) bands (ev): -3.6948 -3.6948 0.0095 0.0095 7.0477 7.0477 7.1973 7.1973 11.8205 11.8205 13.7414 13.7414 13.8408 13.8408 18.0988 18.0988 k = 0.4970 0.2869 0.2141 ( 862 PWs) bands (ev): -3.6938 -3.6936 0.0102 0.0108 7.0398 7.0434 7.1912 7.1912 11.8272 11.8295 13.7418 13.7434 13.8422 13.8423 18.1005 18.1057 k = 0.4939 0.2852 0.2240 ( 862 PWs) bands (ev): -3.6905 -3.6902 0.0130 0.0143 7.0185 7.0261 7.1737 7.1743 11.8494 11.8538 13.7431 13.7466 13.8480 13.8484 18.1107 18.1209 k = 0.4909 0.2834 0.2340 ( 860 PWs) bands (ev): -3.6850 -3.6846 0.0179 0.0198 6.9815 6.9935 7.1481 7.1498 11.8858 11.8921 13.7421 13.7475 13.8622 13.8631 18.1288 18.1440 k = 0.4878 0.2816 0.2440 ( 855 PWs) bands (ev): -3.6773 -3.6767 0.0248 0.0273 6.9266 6.9430 7.1182 7.1211 11.9346 11.9426 13.7369 13.7437 13.8882 13.8894 18.1538 18.1740 k = 0.4848 0.2799 0.2539 ( 855 PWs) bands (ev): -3.6673 -3.6666 0.0337 0.0369 6.8535 6.8736 7.0866 7.0902 11.9934 12.0027 13.7284 13.7362 13.9265 13.9278 18.1847 18.2096 k = 0.4817 0.2781 0.2639 ( 855 PWs) bands (ev): -3.6552 -3.6543 0.0446 0.0486 6.7635 6.7867 7.0537 7.0576 12.0590 12.0690 13.7200 13.7280 13.9762 13.9774 18.2198 18.2494 k = 0.4787 0.2764 0.2738 ( 851 PWs) bands (ev): -3.6409 -3.6399 0.0576 0.0623 6.6591 6.6848 7.0189 7.0228 12.1276 12.1378 13.7151 13.7229 14.0361 14.0372 18.2575 18.2915 k = 0.4756 0.2746 0.2838 ( 853 PWs) bands (ev): -3.6244 -3.6233 0.0725 0.0779 6.5423 6.5702 6.9818 6.9855 12.1950 12.2047 13.7179 13.7248 14.1053 14.1063 18.2957 18.3341 k = 0.4726 0.2728 0.2937 ( 853 PWs) bands (ev): -3.6058 -3.6045 0.0893 0.0955 6.4152 6.4451 6.9422 6.9457 12.2564 12.2649 13.7326 13.7380 14.1834 14.1842 18.3326 18.3749 k = 0.4695 0.2711 0.3037 ( 851 PWs) bands (ev): -3.5850 -3.5836 0.1080 0.1151 6.2795 6.3114 6.9000 6.9032 12.3074 12.3140 13.7633 13.7666 14.2697 14.2704 18.3657 18.4118 k = 0.4665 0.2693 0.3137 ( 849 PWs) bands (ev): -3.5621 -3.5605 0.1286 0.1365 6.1367 6.1704 6.8553 6.8583 12.3441 12.3483 13.8132 13.8139 14.3637 14.3643 18.3930 18.4425 k = 0.4634 0.2676 0.3236 ( 851 PWs) bands (ev): -3.5371 -3.5354 0.1509 0.1598 5.9882 6.0236 6.8083 6.8112 12.3642 12.3657 13.8817 13.8840 14.4651 14.4656 18.4123 18.4648 k = 0.4604 0.2658 0.3336 ( 849 PWs) bands (ev): -3.5101 -3.5083 0.1750 0.1849 5.8350 5.8722 6.7592 6.7620 12.3662 12.3675 13.9702 13.9754 14.5734 14.5738 18.4215 18.4768 k = 0.4573 0.2640 0.3435 ( 848 PWs) bands (ev): -3.4810 -3.4791 0.2007 0.2117 5.6782 5.7171 6.7084 6.7110 12.3513 12.3551 14.0778 14.0856 14.6881 14.6884 18.4190 18.4766 k = 0.4543 0.2623 0.3535 ( 850 PWs) bands (ev): -3.4500 -3.4480 0.2280 0.2401 5.5187 5.5593 6.6561 6.6585 12.3233 12.3293 14.2018 14.2119 14.8089 14.8091 18.4032 18.4627 k = 0.4512 0.2605 0.3634 ( 852 PWs) bands (ev): -3.4170 -3.4149 0.2567 0.2701 5.3573 5.3996 6.6025 6.6048 12.2849 12.2927 14.3395 14.3514 14.9353 14.9355 18.3732 18.4343 k = 0.4482 0.2588 0.3734 ( 852 PWs) bands (ev): -3.3822 -3.3800 0.2869 0.3016 5.1947 5.2388 6.5479 6.5501 12.2385 12.2477 14.4881 14.5013 15.0669 15.0670 18.3286 18.3909 k = 0.4451 0.2570 0.3834 ( 848 PWs) bands (ev): -3.3455 -3.3432 0.3182 0.3345 5.0316 5.0775 6.4925 6.4947 12.1861 12.1964 14.6452 14.6594 15.2033 15.2034 18.2695 18.3329 k = 0.4421 0.2552 0.3933 ( 848 PWs) bands (ev): -3.3070 -3.3047 0.3506 0.3685 4.8686 4.9165 6.4366 6.4387 12.1294 12.1405 14.8086 14.8234 15.3441 15.3442 18.1967 18.2610 k = 0.4390 0.2535 0.4033 ( 848 PWs) bands (ev): -3.2669 -3.2645 0.3839 0.4036 4.7064 4.7563 6.3805 6.3825 12.0696 12.0815 14.9765 14.9914 15.4887 15.4889 18.1115 18.1767 k = 0.4360 0.2517 0.4132 ( 850 PWs) bands (ev): -3.2252 -3.2227 0.4179 0.4395 4.5455 4.5976 6.3243 6.3263 12.0079 12.0203 15.1470 15.1617 15.6368 15.6371 18.0159 18.0821 k = 0.4329 0.2500 0.4232 ( 850 PWs) bands (ev): -3.1820 -3.1795 0.4524 0.4761 4.3866 4.4410 6.2682 6.2701 11.9450 11.9578 15.3182 15.3322 15.7878 15.7883 17.9123 17.9797 k = 0.4299 0.2482 0.4331 ( 850 PWs) bands (ev): -3.1373 -3.1348 0.4871 0.5131 4.2302 4.2872 6.2125 6.2144 11.8817 11.8948 15.4879 15.5006 15.9412 15.9421 17.8038 17.8728 k = 0.4268 0.2464 0.4431 ( 850 PWs) bands (ev): -3.0914 -3.0889 0.5216 0.5502 4.0771 4.1368 6.1573 6.1591 11.8185 11.8317 15.6530 15.6638 16.0964 16.0980 17.6944 17.7655 k = 0.4238 0.2447 0.4531 ( 850 PWs) bands (ev): -3.0444 -3.0419 0.5556 0.5870 3.9279 3.9905 6.1027 6.1045 11.7557 11.7691 15.8092 15.8172 16.2527 16.2553 17.5897 17.6633 k = 0.4207 0.2429 0.4630 ( 852 PWs) bands (ev): -2.9964 -2.9939 0.5887 0.6230 3.7834 3.8491 6.0489 6.0507 11.6938 11.7073 15.9495 15.9541 16.4094 16.4135 17.4974 17.5739 k = 0.4177 0.2411 0.4730 ( 849 PWs) bands (ev): -2.9476 -2.9451 0.6204 0.6580 3.6444 3.7134 5.9961 5.9978 11.6331 11.6465 16.0635 16.0645 16.5659 16.5721 17.4291 17.5080 k = 0.4146 0.2394 0.4829 ( 849 PWs) bands (ev): -2.8983 -2.8958 0.6501 0.6912 3.5119 3.5844 5.9443 5.9461 11.5737 11.5872 16.1361 16.1371 16.7218 16.7303 17.3990 17.4785 k = 0.4116 0.2376 0.4929 ( 849 PWs) bands (ev): -2.8486 -2.8462 0.6772 0.7220 3.3867 3.4630 5.8938 5.8955 11.5160 11.5293 16.1585 16.1585 16.8769 16.8879 17.4189 17.4963 k = 0.4085 0.2359 0.5028 ( 851 PWs) bands (ev): -2.7988 -2.7965 0.7010 0.7496 3.2700 3.3502 5.8446 5.8463 11.4600 11.4733 16.1262 16.1303 17.0315 17.0443 17.4897 17.5628 k = 0.4055 0.2341 0.5128 ( 851 PWs) bands (ev): -2.7493 -2.7471 0.7209 0.7735 3.1630 3.2471 5.7968 5.7985 11.4059 11.4191 16.0505 16.0597 17.1852 17.1989 17.6010 17.6697 k = 0.4024 0.2323 0.5228 ( 851 PWs) bands (ev): -2.7004 -2.6983 0.7361 0.7926 3.0669 3.1549 5.7505 5.7521 11.3538 11.3669 15.9448 15.9590 17.3370 17.3508 17.7394 17.8050 k = 0.3994 0.2306 0.5327 ( 851 PWs) bands (ev): -2.6526 -2.6506 0.7462 0.8064 2.9829 3.0746 5.7057 5.7074 11.3039 11.3168 15.8199 15.8383 17.4857 17.4991 17.8942 17.9585 k = 0.3963 0.2288 0.5427 ( 851 PWs) bands (ev): -2.6062 -2.6045 0.7507 0.8142 2.9121 3.0071 5.6627 5.6644 11.2562 11.2689 15.6831 15.7047 17.6300 17.6428 18.0580 18.1225 k = 0.3933 0.2271 0.5526 ( 849 PWs) bands (ev): -2.5620 -2.5603 0.7495 0.8158 2.8554 2.9530 5.6214 5.6231 11.2107 11.2232 15.5389 15.5632 17.7686 17.7809 18.2255 18.2916 k = 0.3902 0.2253 0.5626 ( 851 PWs) bands (ev): -2.5203 -2.5189 0.7428 0.8111 2.8133 2.9129 5.5819 5.5836 11.1676 11.1799 15.3903 15.4166 17.9005 17.9123 18.3921 18.4610 k = 0.3872 0.2235 0.5725 ( 851 PWs) bands (ev): -2.4820 -2.4807 0.7313 0.8009 2.7859 2.8868 5.5443 5.5460 11.1269 11.1390 15.2391 15.2671 18.0248 18.0362 18.5530 18.6260 k = 0.3841 0.2218 0.5825 ( 846 PWs) bands (ev): -2.4477 -2.4466 0.7159 0.7861 2.7730 2.8743 5.5086 5.5104 11.0886 11.1004 15.0868 15.1161 18.1405 18.1517 18.7024 18.7805 k = 0.3811 0.2200 0.5925 ( 854 PWs) bands (ev): -2.4182 -2.4173 0.6982 0.7681 2.7738 2.8748 5.4749 5.4767 11.0527 11.0643 14.9343 14.9646 18.2470 18.2582 18.8321 18.9158 k = 0.3780 0.2183 0.6024 ( 858 PWs) bands (ev): -2.3943 -2.3935 0.6798 0.7488 2.7873 2.8874 5.4433 5.4451 11.0193 11.0306 14.7824 14.8136 18.3437 18.3551 18.9337 19.0215 k = 0.3750 0.2165 0.6124 ( 858 PWs) bands (ev): -2.3768 -2.3762 0.6625 0.7301 2.8125 2.9112 5.4137 5.4156 10.9883 10.9993 14.6316 14.6635 18.4301 18.4421 19.0012 19.0895 k = 0.6250-0.0722 0.4082 ( 858 PWs) bands (ev): -2.3768 -2.3762 0.6625 0.7301 2.8125 2.9112 5.4137 5.4156 10.9883 10.9993 14.6316 14.6635 18.4301 18.4421 19.0012 19.0895 k = 0.6198-0.0812 0.4082 ( 858 PWs) bands (ev): -2.3550 -2.3545 0.6357 0.7004 2.8689 2.9648 5.3659 5.3678 10.9384 10.9489 14.3752 14.4081 18.5683 18.5815 19.0890 19.1744 k = 0.6146-0.0902 0.4082 ( 858 PWs) bands (ev): -2.3372 -2.3368 0.6100 0.6717 2.9338 3.0267 5.3199 5.3219 10.8904 10.9004 14.1195 14.1531 18.7052 18.7198 19.1794 19.2619 k = 0.6094-0.0992 0.4082 ( 852 PWs) bands (ev): -2.3230 -2.3228 0.5854 0.6438 3.0067 3.0965 5.2757 5.2777 10.8443 10.8539 13.8653 13.8994 18.8404 18.8566 19.2719 19.3514 k = 0.6042-0.1083 0.4082 ( 842 PWs) bands (ev): -2.3121 -2.3120 0.5616 0.6168 3.0871 3.1735 5.2333 5.2355 10.8002 10.8092 13.6134 13.6478 18.9736 18.9916 19.3659 19.4421 k = 0.5990-0.1173 0.4082 ( 842 PWs) bands (ev): -2.3042 -2.3042 0.5386 0.5905 3.1742 3.2574 5.1929 5.1952 10.7581 10.7666 13.3645 13.3991 19.1044 19.1244 19.4609 19.5334 k = 0.5938-0.1263 0.4082 ( 846 PWs) bands (ev): -2.2990 -2.2989 0.5165 0.5650 3.2674 3.3473 5.1544 5.1568 10.7180 10.7260 13.1194 13.1539 19.2323 19.2547 19.5565 19.6249 k = 0.5885-0.1353 0.4082 ( 846 PWs) bands (ev): -2.2960 -2.2959 0.4952 0.5404 3.3660 3.4425 5.1179 5.1204 10.6799 10.6874 12.8786 12.9130 19.3569 19.3821 19.6522 19.7161 k = 0.5833-0.1443 0.4082 ( 846 PWs) bands (ev): -2.2949 -2.2948 0.4747 0.5167 3.4691 3.5422 5.0834 5.0860 10.6439 10.6509 12.6429 12.6770 19.4778 19.5060 19.7478 19.8066 k = 0.5781-0.1534 0.4082 ( 846 PWs) bands (ev): -2.2954 -2.2953 0.4552 0.4939 3.5758 3.6455 5.0509 5.0537 10.6100 10.6165 12.4130 12.4466 19.5944 19.6260 19.8428 19.8959 k = 0.5729-0.1624 0.4082 ( 846 PWs) bands (ev): -2.2972 -2.2970 0.4365 0.4722 3.6851 3.7515 5.0204 5.0234 10.5782 10.5842 12.1897 12.2226 19.7064 19.7416 19.9366 19.9837 k = 0.5677-0.1714 0.4082 ( 846 PWs) bands (ev): -2.3000 -2.2998 0.4189 0.4515 3.7961 3.8592 4.9921 4.9952 10.5485 10.5540 11.9737 12.0058 19.8132 19.8521 20.0289 20.0694 k = 0.5625-0.1804 0.4082 ( 846 PWs) bands (ev): -2.3035 -2.3033 0.4024 0.4320 3.9076 3.9673 4.9659 4.9693 10.5210 10.5260 11.7660 11.7970 19.9146 19.9569 20.1190 20.1528 k = 0.5573-0.1894 0.4082 ( 846 PWs) bands (ev): -2.3075 -2.3074 0.3870 0.4138 4.0184 4.0747 4.9418 4.9455 10.4957 10.5001 11.5675 11.5973 20.0102 20.0555 20.2061 20.2332 k = 0.5521-0.1985 0.4082 ( 844 PWs) bands (ev): -2.3118 -2.3117 0.3728 0.3969 4.1272 4.1800 4.9201 4.9240 10.4725 10.4764 11.3793 11.4077 20.0996 20.1472 20.2895 20.3103 k = 0.5469-0.2075 0.4082 ( 836 PWs) bands (ev): -2.3163 -2.3162 0.3599 0.3813 4.2327 4.2819 4.9007 4.9050 10.4515 10.4548 11.2027 11.2294 20.1827 20.2313 20.3683 20.3834 k = 0.5417-0.2165 0.4082 ( 844 PWs) bands (ev): -2.3207 -2.3206 0.3482 0.3670 4.3331 4.3786 4.8838 4.8885 10.4326 10.4354 11.0390 11.0636 20.2590 20.3073 20.4416 20.4519 k = 0.5365-0.2255 0.4082 ( 844 PWs) bands (ev): -2.3249 -2.3248 0.3380 0.3543 4.4268 4.4684 4.8697 4.8747 10.4160 10.4182 10.8896 10.9119 20.3284 20.3748 20.5086 20.5151 k = 0.5312-0.2345 0.4082 ( 846 PWs) bands (ev): -2.3288 -2.3287 0.3291 0.3430 4.5118 4.5492 4.8588 4.8642 10.4015 10.4030 10.7561 10.7757 20.3904 20.4334 20.5684 20.5721 k = 0.5260-0.2436 0.4082 ( 846 PWs) bands (ev): -2.3323 -2.3322 0.3218 0.3332 4.5858 4.6184 4.8519 4.8573 10.3891 10.3899 10.6402 10.6567 20.4446 20.4828 20.6204 20.6221 k = 0.5208-0.2526 0.4082 ( 846 PWs) bands (ev): -2.3352 -2.3352 0.3159 0.3250 4.6464 4.6734 4.8503 4.8551 10.3785 10.3786 10.5436 10.5565 20.4906 20.5227 20.6638 20.6643 k = 0.5156-0.2616 0.4082 ( 846 PWs) bands (ev): -2.3376 -2.3375 0.3115 0.3183 4.6913 4.7116 4.8548 4.8582 10.3685 10.3697 10.4683 10.4771 20.5279 20.5529 20.6980 20.6981 k = 0.5104-0.2706 0.4082 ( 846 PWs) bands (ev): -2.3393 -2.3393 0.3087 0.3132 4.7202 4.7330 4.8640 4.8654 10.3585 10.3612 10.4168 10.4210 20.5563 20.5733 20.7226 20.7228 k = 0.5052-0.2797 0.4082 ( 846 PWs) bands (ev): -2.3404 -2.3403 0.3075 0.3097 4.7360 4.7420 4.8728 4.8731 10.3481 10.3510 10.3906 10.3911 20.5752 20.5839 20.7376 20.7378 k = 0.5000-0.2887 0.4082 ( 846 PWs) bands (ev): -2.3407 -2.3407 0.3078 0.3078 4.7425 4.7425 4.8763 4.8763 10.3441 10.3441 10.3835 10.3835 20.5844 20.5844 20.7427 20.7427 Writing output data file BAs.save init_run : 1.89s CPU 11.30s WALL ( 1 calls) electrons : 49.17s CPU 52.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.33s CPU 1.35s WALL ( 1 calls) Called by electrons: c_bands : 49.15s CPU 51.98s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.83s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.08s CPU 0.47s WALL ( 1 calls) newd : 0.24s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 441 calls) cegterg : 40.63s CPU 41.02s WALL ( 450 calls) Called by sum_band: Called by *egterg: h_psi : 25.83s CPU 28.28s WALL ( 6503 calls) s_psi : 0.25s CPU 0.66s WALL ( 6503 calls) g_psi : 0.02s CPU 0.04s WALL ( 5612 calls) cdiaghg : 9.68s CPU 9.38s WALL ( 6053 calls) cegterg:over : 2.99s CPU 2.53s WALL ( 5612 calls) cegterg:upda : 0.12s CPU 0.26s WALL ( 5612 calls) cegterg:last : 0.02s CPU 0.21s WALL ( 1496 calls) Called by h_psi: h_psi:vloc : 22.55s CPU 25.17s WALL ( 6503 calls) h_psi:vnl : 3.27s CPU 2.98s WALL ( 6503 calls) add_vuspsi : 0.11s CPU 0.44s WALL ( 6503 calls) General routines calbec : 3.15s CPU 2.41s WALL ( 6503 calls) fft : 0.24s CPU 1.12s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 21.72s CPU 24.12s WALL ( 306668 calls) interpolate : 0.04s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 0.61s WALL ( 882 calls) Parallel routines fft_scatter : 16.07s CPU 17.61s WALL ( 306691 calls) PWSCF : 1m 9.00s CPU 2m 4.90s WALL This run was terminated on: 3:42:54 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=