Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:16:46 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Sn.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 19 6 367 239 43 Max 26 20 7 371 256 45 Sum 931 719 219 13303 8981 1557 bravais-lattice index = 14 lattice parameter (alat) = 6.9592 a.u. unit-cell volume = 199.1571 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.959219 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.626827 celldm(5)= -0.626827 celldm(6)= 0.253653 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.253653 0.967295 0.000000 ) a(3) = ( -0.626827 -0.483648 0.610879 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.262230 0.818493 ) b(2) = ( 0.000000 1.033811 0.818493 ) b(3) = ( 0.000000 0.000000 1.636985 ) PseudoPot. # 1 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 484 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0000000 0.0000000 0.0116928), wk = 0.0020661 k( 3) = ( 0.0000000 0.0000000 0.0233855), wk = 0.0020661 k( 4) = ( 0.0000000 0.0000000 0.0350782), wk = 0.0020661 k( 5) = ( 0.0000000 0.0000000 0.0467710), wk = 0.0020661 k( 6) = ( 0.0000000 0.0000000 0.0584638), wk = 0.0020661 k( 7) = ( 0.0000000 0.0000000 0.0701565), wk = 0.0020661 k( 8) = ( 0.0000000 0.0000000 0.0818493), wk = 0.0020661 k( 9) = ( 0.0000000 0.0000000 0.0935420), wk = 0.0020661 k( 10) = ( 0.0000000 0.0000000 0.1052347), wk = 0.0020661 k( 11) = ( 0.0000000 0.0000000 0.1169275), wk = 0.0020661 k( 12) = ( 0.0000000 0.0000000 0.1286203), wk = 0.0020661 k( 13) = ( 0.0000000 0.0000000 0.1403130), wk = 0.0020661 k( 14) = ( 0.0000000 0.0000000 0.1520058), wk = 0.0020661 k( 15) = ( 0.0000000 0.0000000 0.1636985), wk = 0.0020661 k( 16) = ( 0.0000000 0.0000000 0.1753913), wk = 0.0020661 k( 17) = ( 0.0000000 0.0000000 0.1870840), wk = 0.0020661 k( 18) = ( 0.0000000 0.0000000 0.1987768), wk = 0.0020661 k( 19) = ( 0.0000000 0.0000000 0.2104695), wk = 0.0020661 k( 20) = ( 0.0000000 0.0000000 0.2221623), wk = 0.0020661 k( 21) = ( 0.0000000 0.0000000 0.2338550), wk = 0.0020661 k( 22) = ( 0.0000000 0.0000000 0.2455478), wk = 0.0020661 k( 23) = ( 0.0000000 0.0000000 0.2572405), wk = 0.0020661 k( 24) = ( 0.0000000 0.0000000 0.2689333), wk = 0.0020661 k( 25) = ( 0.0000000 0.0000000 0.2806260), wk = 0.0020661 k( 26) = ( 0.0000000 0.0000000 0.2923188), wk = 0.0020661 k( 27) = ( 0.0000000 0.0000000 0.3040115), wk = 0.0020661 k( 28) = ( 0.0000000 0.0000000 0.3157043), wk = 0.0020661 k( 29) = ( 0.0000000 0.0000000 0.3273970), wk = 0.0020661 k( 30) = ( 0.0000000 0.0000000 0.3390898), wk = 0.0020661 k( 31) = ( 0.0000000 0.0000000 0.3507825), wk = 0.0020661 k( 32) = ( 0.0000000 0.0000000 0.3624753), wk = 0.0020661 k( 33) = ( 0.0000000 0.0000000 0.3741680), wk = 0.0020661 k( 34) = ( 0.0000000 0.0000000 0.3858608), wk = 0.0020661 k( 35) = ( 0.0000000 0.0000000 0.3975535), wk = 0.0020661 k( 36) = ( 0.0000000 0.0000000 0.4092463), wk = 0.0020661 k( 37) = ( 0.0000000 0.0000000 0.4209390), wk = 0.0020661 k( 38) = ( 0.0000000 0.0000000 0.4326318), wk = 0.0020661 k( 39) = ( 0.0000000 0.0000000 0.4443245), wk = 0.0020661 k( 40) = ( 0.0000000 0.0000000 0.4560173), wk = 0.0020661 k( 41) = ( 0.0000000 0.0000000 0.4677100), wk = 0.0020661 k( 42) = ( 0.0000000 0.0000000 0.4794028), wk = 0.0020661 k( 43) = ( 0.0000000 0.0000000 0.4910955), wk = 0.0020661 k( 44) = ( 0.0000000 0.0000000 0.5027883), wk = 0.0020661 k( 45) = ( 0.0000000 0.0000000 0.5144810), wk = 0.0020661 k( 46) = ( 0.0000000 0.0000000 0.5261738), wk = 0.0020661 k( 47) = ( 0.0000000 0.0000000 0.5378665), wk = 0.0020661 k( 48) = ( 0.0000000 0.0000000 0.5495593), wk = 0.0020661 k( 49) = ( 0.0000000 0.0000000 0.5612520), wk = 0.0020661 k( 50) = ( 0.0000000 0.0000000 0.5729448), wk = 0.0020661 k( 51) = ( 0.0000000 0.0000000 0.5846375), wk = 0.0020661 k( 52) = ( 0.0000000 0.0000000 0.5963303), wk = 0.0020661 k( 53) = ( 0.0000000 0.0000000 0.6080230), wk = 0.0020661 k( 54) = ( 0.0000000 0.0000000 0.6197158), wk = 0.0020661 k( 55) = ( 0.0000000 0.0000000 0.6314085), wk = 0.0020661 k( 56) = ( 0.0000000 0.0000000 0.6431013), wk = 0.0020661 k( 57) = ( 0.0000000 0.0000000 0.6547940), wk = 0.0020661 k( 58) = ( 0.0000000 0.0000000 0.6664868), wk = 0.0020661 k( 59) = ( 0.0000000 0.0000000 0.6781795), wk = 0.0020661 k( 60) = ( 0.0000000 0.0000000 0.6898723), wk = 0.0020661 k( 61) = ( 0.0000000 0.0000000 0.7015650), wk = 0.0020661 k( 62) = ( 0.0000000 0.0000000 0.7132578), wk = 0.0020661 k( 63) = ( 0.0000000 0.0000000 0.7249505), wk = 0.0020661 k( 64) = ( 0.0000000 0.0000000 0.7366433), wk = 0.0020661 k( 65) = ( 0.0000000 0.0000000 0.7483360), wk = 0.0020661 k( 66) = ( 0.0000000 0.0000000 0.7600288), wk = 0.0020661 k( 67) = ( 0.0000000 0.0000000 0.7717215), wk = 0.0020661 k( 68) = ( 0.0000000 0.0000000 0.7834143), wk = 0.0020661 k( 69) = ( 0.0000000 0.0000000 0.7951070), wk = 0.0020661 k( 70) = ( 0.0000000 0.0000000 0.8067998), wk = 0.0020661 k( 71) = ( 0.0000000 0.0000000 0.8184925), wk = 0.0020661 k( 72) = ( 0.0000000 0.0000000 0.8184925), wk = 0.0020661 k( 73) = ( -0.0070874 0.0091855 0.8184925), wk = 0.0020661 k( 74) = ( -0.0141747 0.0183710 0.8184925), wk = 0.0020661 k( 75) = ( -0.0212621 0.0275565 0.8184925), wk = 0.0020661 k( 76) = ( -0.0283494 0.0367419 0.8184925), wk = 0.0020661 k( 77) = ( -0.0354367 0.0459274 0.8184925), wk = 0.0020661 k( 78) = ( -0.0425241 0.0551129 0.8184925), wk = 0.0020661 k( 79) = ( -0.0496114 0.0642984 0.8184925), wk = 0.0020661 k( 80) = ( -0.0566988 0.0734839 0.8184925), wk = 0.0020661 k( 81) = ( -0.0637861 0.0826694 0.8184925), wk = 0.0020661 k( 82) = ( -0.0708735 0.0918549 0.8184925), wk = 0.0020661 k( 83) = ( -0.0779608 0.1010404 0.8184925), wk = 0.0020661 k( 84) = ( -0.0850482 0.1102259 0.8184925), wk = 0.0020661 k( 85) = ( -0.0921355 0.1194113 0.8184925), wk = 0.0020661 k( 86) = ( -0.0992229 0.1285968 0.8184925), wk = 0.0020661 k( 87) = ( -0.1063102 0.1377823 0.8184925), wk = 0.0020661 k( 88) = ( -0.1133976 0.1469678 0.8184925), wk = 0.0020661 k( 89) = ( -0.1204849 0.1561533 0.8184925), wk = 0.0020661 k( 90) = ( -0.1275723 0.1653388 0.8184925), wk = 0.0020661 k( 91) = ( -0.1346596 0.1745243 0.8184925), wk = 0.0020661 k( 92) = ( -0.1417470 0.1837098 0.8184925), wk = 0.0020661 k( 93) = ( -0.1488343 0.1928953 0.8184925), wk = 0.0020661 k( 94) = ( -0.1488343 0.1928953 0.8184925), wk = 0.0020661 k( 95) = ( -0.1538510 0.1993970 0.8102804), wk = 0.0020661 k( 96) = ( -0.1588676 0.2058988 0.8020682), wk = 0.0020661 k( 97) = ( -0.1638843 0.2124006 0.7938560), wk = 0.0020661 k( 98) = ( -0.1689009 0.2189024 0.7856438), wk = 0.0020661 k( 99) = ( -0.1739176 0.2254042 0.7774316), wk = 0.0020661 k( 100) = ( -0.1789342 0.2319060 0.7692194), wk = 0.0020661 k( 101) = ( -0.1839509 0.2384077 0.7610072), wk = 0.0020661 k( 102) = ( -0.1889675 0.2449095 0.7527951), wk = 0.0020661 k( 103) = ( -0.1939842 0.2514113 0.7445829), wk = 0.0020661 k( 104) = ( -0.1990009 0.2579131 0.7363707), wk = 0.0020661 k( 105) = ( -0.2040175 0.2644149 0.7281585), wk = 0.0020661 k( 106) = ( -0.2090342 0.2709167 0.7199463), wk = 0.0020661 k( 107) = ( -0.2140508 0.2774184 0.7117341), wk = 0.0020661 k( 108) = ( -0.2190675 0.2839202 0.7035219), wk = 0.0020661 k( 109) = ( -0.2240841 0.2904220 0.6953097), wk = 0.0020661 k( 110) = ( -0.2291008 0.2969238 0.6870976), wk = 0.0020661 k( 111) = ( -0.2341174 0.3034256 0.6788854), wk = 0.0020661 k( 112) = ( -0.2391341 0.3099274 0.6706732), wk = 0.0020661 k( 113) = ( -0.2441507 0.3164291 0.6624610), wk = 0.0020661 k( 114) = ( -0.2491674 0.3229309 0.6542488), wk = 0.0020661 k( 115) = ( -0.2541840 0.3294327 0.6460366), wk = 0.0020661 k( 116) = ( -0.2592007 0.3359345 0.6378244), wk = 0.0020661 k( 117) = ( -0.2642173 0.3424363 0.6296123), wk = 0.0020661 k( 118) = ( -0.2692340 0.3489381 0.6214001), wk = 0.0020661 k( 119) = ( -0.2742506 0.3554398 0.6131879), wk = 0.0020661 k( 120) = ( -0.2792673 0.3619416 0.6049757), wk = 0.0020661 k( 121) = ( -0.2842839 0.3684434 0.5967635), wk = 0.0020661 k( 122) = ( -0.2893006 0.3749452 0.5885513), wk = 0.0020661 k( 123) = ( -0.2943172 0.3814470 0.5803392), wk = 0.0020661 k( 124) = ( -0.2993339 0.3879488 0.5721270), wk = 0.0020661 k( 125) = ( -0.3043505 0.3944505 0.5639148), wk = 0.0020661 k( 126) = ( -0.3093672 0.4009523 0.5557026), wk = 0.0020661 k( 127) = ( -0.3143839 0.4074541 0.5474904), wk = 0.0020661 k( 128) = ( -0.3194005 0.4139559 0.5392782), wk = 0.0020661 k( 129) = ( -0.3244172 0.4204577 0.5310660), wk = 0.0020661 k( 130) = ( -0.3244172 0.4204577 0.5310660), wk = 0.0020661 k( 131) = ( -0.3194261 0.4139891 0.5228958), wk = 0.0020661 k( 132) = ( -0.3144351 0.4075205 0.5147255), wk = 0.0020661 k( 133) = ( -0.3094441 0.4010519 0.5065553), wk = 0.0020661 k( 134) = ( -0.3044530 0.3945834 0.4983851), wk = 0.0020661 k( 135) = ( -0.2994620 0.3881148 0.4902148), wk = 0.0020661 k( 136) = ( -0.2944710 0.3816462 0.4820446), wk = 0.0020661 k( 137) = ( -0.2894799 0.3751776 0.4738743), wk = 0.0020661 k( 138) = ( -0.2844889 0.3687090 0.4657041), wk = 0.0020661 k( 139) = ( -0.2794979 0.3622405 0.4575338), wk = 0.0020661 k( 140) = ( -0.2745068 0.3557719 0.4493636), wk = 0.0020661 k( 141) = ( -0.2695158 0.3493033 0.4411933), wk = 0.0020661 k( 142) = ( -0.2645248 0.3428347 0.4330231), wk = 0.0020661 k( 143) = ( -0.2595337 0.3363661 0.4248528), wk = 0.0020661 k( 144) = ( -0.2545427 0.3298976 0.4166826), wk = 0.0020661 k( 145) = ( -0.2495517 0.3234290 0.4085123), wk = 0.0020661 k( 146) = ( -0.2445606 0.3169604 0.4003421), wk = 0.0020661 k( 147) = ( -0.2395696 0.3104918 0.3921719), wk = 0.0020661 k( 148) = ( -0.2345786 0.3040232 0.3840016), wk = 0.0020661 k( 149) = ( -0.2295875 0.2975547 0.3758314), wk = 0.0020661 k( 150) = ( -0.2245965 0.2910861 0.3676611), wk = 0.0020661 k( 151) = ( -0.2196055 0.2846175 0.3594909), wk = 0.0020661 k( 152) = ( -0.2146144 0.2781489 0.3513206), wk = 0.0020661 k( 153) = ( -0.2096234 0.2716803 0.3431504), wk = 0.0020661 k( 154) = ( -0.2046324 0.2652118 0.3349801), wk = 0.0020661 k( 155) = ( -0.1996413 0.2587432 0.3268099), wk = 0.0020661 k( 156) = ( -0.1946503 0.2522746 0.3186396), wk = 0.0020661 k( 157) = ( -0.1896593 0.2458060 0.3104694), wk = 0.0020661 k( 158) = ( -0.1846682 0.2393374 0.3022991), wk = 0.0020661 k( 159) = ( -0.1796772 0.2328689 0.2941289), wk = 0.0020661 k( 160) = ( -0.1746862 0.2264003 0.2859586), wk = 0.0020661 k( 161) = ( -0.1696951 0.2199317 0.2777884), wk = 0.0020661 k( 162) = ( -0.1647041 0.2134631 0.2696182), wk = 0.0020661 k( 163) = ( -0.1597131 0.2069945 0.2614479), wk = 0.0020661 k( 164) = ( -0.1547220 0.2005260 0.2532777), wk = 0.0020661 k( 165) = ( -0.1497310 0.1940574 0.2451074), wk = 0.0020661 k( 166) = ( -0.1447400 0.1875888 0.2369372), wk = 0.0020661 k( 167) = ( -0.1397489 0.1811202 0.2287669), wk = 0.0020661 k( 168) = ( -0.1347579 0.1746517 0.2205967), wk = 0.0020661 k( 169) = ( -0.1297669 0.1681831 0.2124264), wk = 0.0020661 k( 170) = ( -0.1247758 0.1617145 0.2042562), wk = 0.0020661 k( 171) = ( -0.1197848 0.1552459 0.1960859), wk = 0.0020661 k( 172) = ( -0.1147938 0.1487773 0.1879157), wk = 0.0020661 k( 173) = ( -0.1098027 0.1423087 0.1797454), wk = 0.0020661 k( 174) = ( -0.1048117 0.1358402 0.1715752), wk = 0.0020661 k( 175) = ( -0.0998207 0.1293716 0.1634049), wk = 0.0020661 k( 176) = ( -0.0948296 0.1229030 0.1552347), wk = 0.0020661 k( 177) = ( -0.0898386 0.1164344 0.1470644), wk = 0.0020661 k( 178) = ( -0.0848476 0.1099659 0.1388942), wk = 0.0020661 k( 179) = ( -0.0798565 0.1034973 0.1307239), wk = 0.0020661 k( 180) = ( -0.0748655 0.0970287 0.1225537), wk = 0.0020661 k( 181) = ( -0.0698745 0.0905601 0.1143835), wk = 0.0020661 k( 182) = ( -0.0648834 0.0840915 0.1062132), wk = 0.0020661 k( 183) = ( -0.0598924 0.0776230 0.0980430), wk = 0.0020661 k( 184) = ( -0.0549014 0.0711544 0.0898727), wk = 0.0020661 k( 185) = ( -0.0499103 0.0646858 0.0817025), wk = 0.0020661 k( 186) = ( -0.0449193 0.0582172 0.0735322), wk = 0.0020661 k( 187) = ( -0.0399283 0.0517486 0.0653620), wk = 0.0020661 k( 188) = ( -0.0349372 0.0452801 0.0571917), wk = 0.0020661 k( 189) = ( -0.0299462 0.0388115 0.0490215), wk = 0.0020661 k( 190) = ( -0.0249552 0.0323429 0.0408512), wk = 0.0020661 k( 191) = ( -0.0199641 0.0258743 0.0326810), wk = 0.0020661 k( 192) = ( -0.0149731 0.0194057 0.0245107), wk = 0.0020661 k( 193) = ( -0.0099821 0.0129372 0.0163405), wk = 0.0020661 k( 194) = ( -0.0049910 0.0064686 0.0081702), wk = 0.0020661 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 197) = ( 0.0092593 0.0071443 0.0000000), wk = 0.0020661 k( 198) = ( 0.0185185 0.0142885 0.0000000), wk = 0.0020661 k( 199) = ( 0.0277778 0.0214328 0.0000000), wk = 0.0020661 k( 200) = ( 0.0370370 0.0285771 0.0000000), wk = 0.0020661 k( 201) = ( 0.0462963 0.0357213 0.0000000), wk = 0.0020661 k( 202) = ( 0.0555556 0.0428656 0.0000000), wk = 0.0020661 k( 203) = ( 0.0648148 0.0500099 0.0000000), wk = 0.0020661 k( 204) = ( 0.0740741 0.0571541 0.0000000), wk = 0.0020661 k( 205) = ( 0.0833333 0.0642984 0.0000000), wk = 0.0020661 k( 206) = ( 0.0925926 0.0714427 0.0000000), wk = 0.0020661 k( 207) = ( 0.1018518 0.0785870 0.0000000), wk = 0.0020661 k( 208) = ( 0.1111111 0.0857312 0.0000000), wk = 0.0020661 k( 209) = ( 0.1203704 0.0928755 0.0000000), wk = 0.0020661 k( 210) = ( 0.1296296 0.1000198 0.0000000), wk = 0.0020661 k( 211) = ( 0.1388889 0.1071640 0.0000000), wk = 0.0020661 k( 212) = ( 0.1481482 0.1143083 0.0000000), wk = 0.0020661 k( 213) = ( 0.1574074 0.1214526 0.0000000), wk = 0.0020661 k( 214) = ( 0.1666667 0.1285968 0.0000000), wk = 0.0020661 k( 215) = ( 0.1759259 0.1357411 0.0000000), wk = 0.0020661 k( 216) = ( 0.1851852 0.1428854 0.0000000), wk = 0.0020661 k( 217) = ( 0.1944444 0.1500296 0.0000000), wk = 0.0020661 k( 218) = ( 0.2037037 0.1571739 0.0000000), wk = 0.0020661 k( 219) = ( 0.2129630 0.1643182 0.0000000), wk = 0.0020661 k( 220) = ( 0.2222222 0.1714624 0.0000000), wk = 0.0020661 k( 221) = ( 0.2314815 0.1786067 0.0000000), wk = 0.0020661 k( 222) = ( 0.2407407 0.1857510 0.0000000), wk = 0.0020661 k( 223) = ( 0.2500000 0.1928953 0.0000000), wk = 0.0020661 k( 224) = ( 0.2592593 0.2000395 0.0000000), wk = 0.0020661 k( 225) = ( 0.2685185 0.2071838 0.0000000), wk = 0.0020661 k( 226) = ( 0.2777778 0.2143281 0.0000000), wk = 0.0020661 k( 227) = ( 0.2870370 0.2214723 0.0000000), wk = 0.0020661 k( 228) = ( 0.2962963 0.2286166 0.0000000), wk = 0.0020661 k( 229) = ( 0.3055556 0.2357609 0.0000000), wk = 0.0020661 k( 230) = ( 0.3148148 0.2429051 0.0000000), wk = 0.0020661 k( 231) = ( 0.3240741 0.2500494 0.0000000), wk = 0.0020661 k( 232) = ( 0.3333333 0.2571937 0.0000000), wk = 0.0020661 k( 233) = ( 0.3425926 0.2643379 0.0000000), wk = 0.0020661 k( 234) = ( 0.3518519 0.2714822 0.0000000), wk = 0.0020661 k( 235) = ( 0.3611111 0.2786265 0.0000000), wk = 0.0020661 k( 236) = ( 0.3703704 0.2857708 0.0000000), wk = 0.0020661 k( 237) = ( 0.3796296 0.2929150 0.0000000), wk = 0.0020661 k( 238) = ( 0.3888889 0.3000593 0.0000000), wk = 0.0020661 k( 239) = ( 0.3981481 0.3072036 0.0000000), wk = 0.0020661 k( 240) = ( 0.4074074 0.3143478 0.0000000), wk = 0.0020661 k( 241) = ( 0.4166667 0.3214921 0.0000000), wk = 0.0020661 k( 242) = ( 0.4259259 0.3286364 0.0000000), wk = 0.0020661 k( 243) = ( 0.4351852 0.3357806 0.0000000), wk = 0.0020661 k( 244) = ( 0.4444444 0.3429249 0.0000000), wk = 0.0020661 k( 245) = ( 0.4537037 0.3500692 0.0000000), wk = 0.0020661 k( 246) = ( 0.4629630 0.3572134 0.0000000), wk = 0.0020661 k( 247) = ( 0.4722222 0.3643577 0.0000000), wk = 0.0020661 k( 248) = ( 0.4814815 0.3715020 0.0000000), wk = 0.0020661 k( 249) = ( 0.4907407 0.3786462 0.0000000), wk = 0.0020661 k( 250) = ( 0.5000000 0.3857905 0.0000000), wk = 0.0020661 k( 251) = ( 0.5000000 0.3857905 0.0000000), wk = 0.0020661 k( 252) = ( 0.4949833 0.3922923 0.0082122), wk = 0.0020661 k( 253) = ( 0.4899667 0.3987941 0.0164244), wk = 0.0020661 k( 254) = ( 0.4849500 0.4052959 0.0246366), wk = 0.0020661 k( 255) = ( 0.4799334 0.4117976 0.0328487), wk = 0.0020661 k( 256) = ( 0.4749167 0.4182994 0.0410609), wk = 0.0020661 k( 257) = ( 0.4699001 0.4248012 0.0492731), wk = 0.0020661 k( 258) = ( 0.4648834 0.4313030 0.0574853), wk = 0.0020661 k( 259) = ( 0.4598668 0.4378048 0.0656975), wk = 0.0020661 k( 260) = ( 0.4548501 0.4443066 0.0739097), wk = 0.0020661 k( 261) = ( 0.4498335 0.4508084 0.0821219), wk = 0.0020661 k( 262) = ( 0.4448168 0.4573101 0.0903340), wk = 0.0020661 k( 263) = ( 0.4398002 0.4638119 0.0985462), wk = 0.0020661 k( 264) = ( 0.4347835 0.4703137 0.1067584), wk = 0.0020661 k( 265) = ( 0.4297669 0.4768155 0.1149706), wk = 0.0020661 k( 266) = ( 0.4247502 0.4833173 0.1231828), wk = 0.0020661 k( 267) = ( 0.4197336 0.4898190 0.1313950), wk = 0.0020661 k( 268) = ( 0.4147169 0.4963208 0.1396071), wk = 0.0020661 k( 269) = ( 0.4097002 0.5028226 0.1478193), wk = 0.0020661 k( 270) = ( 0.4046836 0.5093244 0.1560315), wk = 0.0020661 k( 271) = ( 0.3996670 0.5158262 0.1642437), wk = 0.0020661 k( 272) = ( 0.3946503 0.5223280 0.1724559), wk = 0.0020661 k( 273) = ( 0.3896336 0.5288297 0.1806681), wk = 0.0020661 k( 274) = ( 0.3846170 0.5353315 0.1888803), wk = 0.0020661 k( 275) = ( 0.3796003 0.5418333 0.1970924), wk = 0.0020661 k( 276) = ( 0.3745837 0.5483351 0.2053046), wk = 0.0020661 k( 277) = ( 0.3695670 0.5548369 0.2135168), wk = 0.0020661 k( 278) = ( 0.3645504 0.5613387 0.2217290), wk = 0.0020661 k( 279) = ( 0.3595337 0.5678404 0.2299412), wk = 0.0020661 k( 280) = ( 0.3545171 0.5743422 0.2381534), wk = 0.0020661 k( 281) = ( 0.3495004 0.5808440 0.2463656), wk = 0.0020661 k( 282) = ( 0.3444838 0.5873458 0.2545777), wk = 0.0020661 k( 283) = ( 0.3394671 0.5938476 0.2627899), wk = 0.0020661 k( 284) = ( 0.3344505 0.6003494 0.2710021), wk = 0.0020661 k( 285) = ( 0.3294338 0.6068511 0.2792143), wk = 0.0020661 k( 286) = ( 0.3244172 0.6133529 0.2874265), wk = 0.0020661 k( 287) = ( 0.3244172 0.6133529 0.2874265), wk = 0.0020661 k( 288) = ( 0.3139521 0.6102417 0.2913562), wk = 0.0020661 k( 289) = ( 0.3034870 0.6071305 0.2952858), wk = 0.0020661 k( 290) = ( 0.2930219 0.6040193 0.2992155), wk = 0.0020661 k( 291) = ( 0.2825569 0.6009081 0.3031452), wk = 0.0020661 k( 292) = ( 0.2720918 0.5977969 0.3070748), wk = 0.0020661 k( 293) = ( 0.2616267 0.5946856 0.3110045), wk = 0.0020661 k( 294) = ( 0.2511617 0.5915744 0.3149342), wk = 0.0020661 k( 295) = ( 0.2406966 0.5884632 0.3188639), wk = 0.0020661 k( 296) = ( 0.2302315 0.5853520 0.3227935), wk = 0.0020661 k( 297) = ( 0.2197665 0.5822408 0.3267232), wk = 0.0020661 k( 298) = ( 0.2093014 0.5791296 0.3306529), wk = 0.0020661 k( 299) = ( 0.1988363 0.5760184 0.3345825), wk = 0.0020661 k( 300) = ( 0.1883712 0.5729072 0.3385122), wk = 0.0020661 k( 301) = ( 0.1779062 0.5697959 0.3424419), wk = 0.0020661 k( 302) = ( 0.1674411 0.5666847 0.3463715), wk = 0.0020661 k( 303) = ( 0.1569761 0.5635735 0.3503012), wk = 0.0020661 k( 304) = ( 0.1465110 0.5604623 0.3542309), wk = 0.0020661 k( 305) = ( 0.1360459 0.5573511 0.3581605), wk = 0.0020661 k( 306) = ( 0.1255808 0.5542399 0.3620902), wk = 0.0020661 k( 307) = ( 0.1151158 0.5511287 0.3660199), wk = 0.0020661 k( 308) = ( 0.1046507 0.5480174 0.3699496), wk = 0.0020661 k( 309) = ( 0.0941856 0.5449062 0.3738792), wk = 0.0020661 k( 310) = ( 0.0837206 0.5417950 0.3778089), wk = 0.0020661 k( 311) = ( 0.0732555 0.5386838 0.3817386), wk = 0.0020661 k( 312) = ( 0.0627904 0.5355726 0.3856682), wk = 0.0020661 k( 313) = ( 0.0523253 0.5324614 0.3895979), wk = 0.0020661 k( 314) = ( 0.0418603 0.5293502 0.3935276), wk = 0.0020661 k( 315) = ( 0.0313952 0.5262389 0.3974573), wk = 0.0020661 k( 316) = ( 0.0209301 0.5231277 0.4013869), wk = 0.0020661 k( 317) = ( 0.0104651 0.5200165 0.4053166), wk = 0.0020661 k( 318) = ( 0.0000000 0.5169053 0.4092463), wk = 0.0020661 k( 319) = ( 0.0000000 0.5169053 0.4092463), wk = 0.0020661 k( 320) = ( 0.0050000 0.5104251 0.4174312), wk = 0.0020661 k( 321) = ( 0.0100000 0.5039449 0.4256161), wk = 0.0020661 k( 322) = ( 0.0150000 0.4974647 0.4338010), wk = 0.0020661 k( 323) = ( 0.0200000 0.4909845 0.4419860), wk = 0.0020661 k( 324) = ( 0.0250000 0.4845043 0.4501709), wk = 0.0020661 k( 325) = ( 0.0300000 0.4780241 0.4583558), wk = 0.0020661 k( 326) = ( 0.0350000 0.4715439 0.4665407), wk = 0.0020661 k( 327) = ( 0.0400000 0.4650637 0.4747257), wk = 0.0020661 k( 328) = ( 0.0450000 0.4585835 0.4829106), wk = 0.0020661 k( 329) = ( 0.0500000 0.4521033 0.4910955), wk = 0.0020661 k( 330) = ( 0.0550000 0.4456231 0.4992804), wk = 0.0020661 k( 331) = ( 0.0600000 0.4391429 0.5074654), wk = 0.0020661 k( 332) = ( 0.0650000 0.4326627 0.5156503), wk = 0.0020661 k( 333) = ( 0.0700000 0.4261825 0.5238352), wk = 0.0020661 k( 334) = ( 0.0750000 0.4197023 0.5320201), wk = 0.0020661 k( 335) = ( 0.0800000 0.4132221 0.5402051), wk = 0.0020661 k( 336) = ( 0.0850000 0.4067419 0.5483900), wk = 0.0020661 k( 337) = ( 0.0900000 0.4002617 0.5565749), wk = 0.0020661 k( 338) = ( 0.0950000 0.3937815 0.5647598), wk = 0.0020661 k( 339) = ( 0.1000000 0.3873013 0.5729448), wk = 0.0020661 k( 340) = ( 0.1050000 0.3808211 0.5811297), wk = 0.0020661 k( 341) = ( 0.1100000 0.3743409 0.5893146), wk = 0.0020661 k( 342) = ( 0.1150000 0.3678607 0.5974995), wk = 0.0020661 k( 343) = ( 0.1200000 0.3613805 0.6056845), wk = 0.0020661 k( 344) = ( 0.1250000 0.3549003 0.6138694), wk = 0.0020661 k( 345) = ( 0.1300000 0.3484201 0.6220543), wk = 0.0020661 k( 346) = ( 0.1350000 0.3419399 0.6302392), wk = 0.0020661 k( 347) = ( 0.1400000 0.3354597 0.6384242), wk = 0.0020661 k( 348) = ( 0.1450000 0.3289795 0.6466091), wk = 0.0020661 k( 349) = ( 0.1500000 0.3224993 0.6547940), wk = 0.0020661 k( 350) = ( 0.1550000 0.3160191 0.6629790), wk = 0.0020661 k( 351) = ( 0.1600000 0.3095389 0.6711639), wk = 0.0020661 k( 352) = ( 0.1650000 0.3030587 0.6793488), wk = 0.0020661 k( 353) = ( 0.1700000 0.2965785 0.6875337), wk = 0.0020661 k( 354) = ( 0.1750000 0.2900983 0.6957187), wk = 0.0020661 k( 355) = ( 0.1800000 0.2836181 0.7039036), wk = 0.0020661 k( 356) = ( 0.1850000 0.2771379 0.7120885), wk = 0.0020661 k( 357) = ( 0.1900000 0.2706577 0.7202734), wk = 0.0020661 k( 358) = ( 0.1950000 0.2641775 0.7284584), wk = 0.0020661 k( 359) = ( 0.2000000 0.2576973 0.7366433), wk = 0.0020661 k( 360) = ( 0.2050000 0.2512171 0.7448282), wk = 0.0020661 k( 361) = ( 0.2100000 0.2447369 0.7530131), wk = 0.0020661 k( 362) = ( 0.2150000 0.2382567 0.7611981), wk = 0.0020661 k( 363) = ( 0.2200000 0.2317765 0.7693830), wk = 0.0020661 k( 364) = ( 0.2250000 0.2252963 0.7775679), wk = 0.0020661 k( 365) = ( 0.2300000 0.2188161 0.7857528), wk = 0.0020661 k( 366) = ( 0.2350000 0.2123359 0.7939378), wk = 0.0020661 k( 367) = ( 0.2400000 0.2058557 0.8021227), wk = 0.0020661 k( 368) = ( 0.2450000 0.1993755 0.8103076), wk = 0.0020661 k( 369) = ( 0.2500000 0.1928953 0.8184925), wk = 0.0020661 k( 370) = ( 0.2500000 0.1928953 0.8184925), wk = 0.0020661 k( 371) = ( 0.2571429 0.1984066 0.8115314), wk = 0.0020661 k( 372) = ( 0.2642857 0.2039178 0.8045703), wk = 0.0020661 k( 373) = ( 0.2714286 0.2094291 0.7976091), wk = 0.0020661 k( 374) = ( 0.2785714 0.2149404 0.7906480), wk = 0.0020661 k( 375) = ( 0.2857143 0.2204517 0.7836869), wk = 0.0020661 k( 376) = ( 0.2928571 0.2259630 0.7767257), wk = 0.0020661 k( 377) = ( 0.3000000 0.2314743 0.7697646), wk = 0.0020661 k( 378) = ( 0.3071429 0.2369856 0.7628035), wk = 0.0020661 k( 379) = ( 0.3142857 0.2424969 0.7558423), wk = 0.0020661 k( 380) = ( 0.3214286 0.2480082 0.7488812), wk = 0.0020661 k( 381) = ( 0.3285714 0.2535195 0.7419201), wk = 0.0020661 k( 382) = ( 0.3357143 0.2590308 0.7349590), wk = 0.0020661 k( 383) = ( 0.3428571 0.2645421 0.7279978), wk = 0.0020661 k( 384) = ( 0.3500000 0.2700534 0.7210367), wk = 0.0020661 k( 385) = ( 0.3571429 0.2755647 0.7140756), wk = 0.0020661 k( 386) = ( 0.3642857 0.2810759 0.7071144), wk = 0.0020661 k( 387) = ( 0.3714286 0.2865872 0.7001533), wk = 0.0020661 k( 388) = ( 0.3785714 0.2920985 0.6931922), wk = 0.0020661 k( 389) = ( 0.3857143 0.2976098 0.6862311), wk = 0.0020661 k( 390) = ( 0.3928571 0.3031211 0.6792699), wk = 0.0020661 k( 391) = ( 0.4000000 0.3086324 0.6723088), wk = 0.0020661 k( 392) = ( 0.4071429 0.3141437 0.6653477), wk = 0.0020661 k( 393) = ( 0.4142857 0.3196550 0.6583865), wk = 0.0020661 k( 394) = ( 0.4214286 0.3251663 0.6514254), wk = 0.0020661 k( 395) = ( 0.4285714 0.3306776 0.6444643), wk = 0.0020661 k( 396) = ( 0.4357143 0.3361889 0.6375032), wk = 0.0020661 k( 397) = ( 0.4428571 0.3417002 0.6305420), wk = 0.0020661 k( 398) = ( 0.4500000 0.3472115 0.6235809), wk = 0.0020661 k( 399) = ( 0.4571429 0.3527228 0.6166198), wk = 0.0020661 k( 400) = ( 0.4642857 0.3582340 0.6096586), wk = 0.0020661 k( 401) = ( 0.4714286 0.3637453 0.6026975), wk = 0.0020661 k( 402) = ( 0.4785714 0.3692566 0.5957364), wk = 0.0020661 k( 403) = ( 0.4857143 0.3747679 0.5887752), wk = 0.0020661 k( 404) = ( 0.4928571 0.3802792 0.5818141), wk = 0.0020661 k( 405) = ( 0.5000000 0.3857905 0.5748530), wk = 0.0020661 k( 406) = ( 0.5000000 0.3857905 0.5748530), wk = 0.0020661 k( 407) = ( 0.5000000 0.3857905 0.5633559), wk = 0.0020661 k( 408) = ( 0.5000000 0.3857905 0.5518588), wk = 0.0020661 k( 409) = ( 0.5000000 0.3857905 0.5403618), wk = 0.0020661 k( 410) = ( 0.5000000 0.3857905 0.5288647), wk = 0.0020661 k( 411) = ( 0.5000000 0.3857905 0.5173677), wk = 0.0020661 k( 412) = ( 0.5000000 0.3857905 0.5058706), wk = 0.0020661 k( 413) = ( 0.5000000 0.3857905 0.4943735), wk = 0.0020661 k( 414) = ( 0.5000000 0.3857905 0.4828765), wk = 0.0020661 k( 415) = ( 0.5000000 0.3857905 0.4713794), wk = 0.0020661 k( 416) = ( 0.5000000 0.3857905 0.4598824), wk = 0.0020661 k( 417) = ( 0.5000000 0.3857905 0.4483853), wk = 0.0020661 k( 418) = ( 0.5000000 0.3857905 0.4368883), wk = 0.0020661 k( 419) = ( 0.5000000 0.3857905 0.4253912), wk = 0.0020661 k( 420) = ( 0.5000000 0.3857905 0.4138941), wk = 0.0020661 k( 421) = ( 0.5000000 0.3857905 0.4023971), wk = 0.0020661 k( 422) = ( 0.5000000 0.3857905 0.3909000), wk = 0.0020661 k( 423) = ( 0.5000000 0.3857905 0.3794030), wk = 0.0020661 k( 424) = ( 0.5000000 0.3857905 0.3679059), wk = 0.0020661 k( 425) = ( 0.5000000 0.3857905 0.3564088), wk = 0.0020661 k( 426) = ( 0.5000000 0.3857905 0.3449118), wk = 0.0020661 k( 427) = ( 0.5000000 0.3857905 0.3334147), wk = 0.0020661 k( 428) = ( 0.5000000 0.3857905 0.3219177), wk = 0.0020661 k( 429) = ( 0.5000000 0.3857905 0.3104206), wk = 0.0020661 k( 430) = ( 0.5000000 0.3857905 0.2989235), wk = 0.0020661 k( 431) = ( 0.5000000 0.3857905 0.2874265), wk = 0.0020661 k( 432) = ( 0.5000000 0.3857905 0.2759294), wk = 0.0020661 k( 433) = ( 0.5000000 0.3857905 0.2644324), wk = 0.0020661 k( 434) = ( 0.5000000 0.3857905 0.2529353), wk = 0.0020661 k( 435) = ( 0.5000000 0.3857905 0.2414383), wk = 0.0020661 k( 436) = ( 0.5000000 0.3857905 0.2299412), wk = 0.0020661 k( 437) = ( 0.5000000 0.3857905 0.2184441), wk = 0.0020661 k( 438) = ( 0.5000000 0.3857905 0.2069471), wk = 0.0020661 k( 439) = ( 0.5000000 0.3857905 0.1954500), wk = 0.0020661 k( 440) = ( 0.5000000 0.3857905 0.1839530), wk = 0.0020661 k( 441) = ( 0.5000000 0.3857905 0.1724559), wk = 0.0020661 k( 442) = ( 0.5000000 0.3857905 0.1609588), wk = 0.0020661 k( 443) = ( 0.5000000 0.3857905 0.1494618), wk = 0.0020661 k( 444) = ( 0.5000000 0.3857905 0.1379647), wk = 0.0020661 k( 445) = ( 0.5000000 0.3857905 0.1264677), wk = 0.0020661 k( 446) = ( 0.5000000 0.3857905 0.1149706), wk = 0.0020661 k( 447) = ( 0.5000000 0.3857905 0.1034735), wk = 0.0020661 k( 448) = ( 0.5000000 0.3857905 0.0919765), wk = 0.0020661 k( 449) = ( 0.5000000 0.3857905 0.0804794), wk = 0.0020661 k( 450) = ( 0.5000000 0.3857905 0.0689824), wk = 0.0020661 k( 451) = ( 0.5000000 0.3857905 0.0574853), wk = 0.0020661 k( 452) = ( 0.5000000 0.3857905 0.0459882), wk = 0.0020661 k( 453) = ( 0.5000000 0.3857905 0.0344912), wk = 0.0020661 k( 454) = ( 0.5000000 0.3857905 0.0229941), wk = 0.0020661 k( 455) = ( 0.5000000 0.3857905 0.0114971), wk = 0.0020661 k( 456) = ( 0.5000000 0.3857905 0.0000000), wk = 0.0020661 k( 457) = ( 0.0000000 0.0000000 0.8184925), wk = 0.0020661 k( 458) = ( 0.0092593 0.0071443 0.8184925), wk = 0.0020661 k( 459) = ( 0.0185185 0.0142885 0.8184925), wk = 0.0020661 k( 460) = ( 0.0277778 0.0214328 0.8184925), wk = 0.0020661 k( 461) = ( 0.0370370 0.0285771 0.8184925), wk = 0.0020661 k( 462) = ( 0.0462963 0.0357213 0.8184925), wk = 0.0020661 k( 463) = ( 0.0555556 0.0428656 0.8184925), wk = 0.0020661 k( 464) = ( 0.0648148 0.0500099 0.8184925), wk = 0.0020661 k( 465) = ( 0.0740741 0.0571541 0.8184925), wk = 0.0020661 k( 466) = ( 0.0833333 0.0642984 0.8184925), wk = 0.0020661 k( 467) = ( 0.0925926 0.0714427 0.8184925), wk = 0.0020661 k( 468) = ( 0.1018518 0.0785870 0.8184925), wk = 0.0020661 k( 469) = ( 0.1111111 0.0857312 0.8184925), wk = 0.0020661 k( 470) = ( 0.1203704 0.0928755 0.8184925), wk = 0.0020661 k( 471) = ( 0.1296296 0.1000198 0.8184925), wk = 0.0020661 k( 472) = ( 0.1388889 0.1071640 0.8184925), wk = 0.0020661 k( 473) = ( 0.1481482 0.1143083 0.8184925), wk = 0.0020661 k( 474) = ( 0.1574074 0.1214526 0.8184925), wk = 0.0020661 k( 475) = ( 0.1666667 0.1285968 0.8184925), wk = 0.0020661 k( 476) = ( 0.1759259 0.1357411 0.8184925), wk = 0.0020661 k( 477) = ( 0.1851852 0.1428854 0.8184925), wk = 0.0020661 k( 478) = ( 0.1944444 0.1500296 0.8184925), wk = 0.0020661 k( 479) = ( 0.2037037 0.1571739 0.8184925), wk = 0.0020661 k( 480) = ( 0.2129630 0.1643182 0.8184925), wk = 0.0020661 k( 481) = ( 0.2222222 0.1714624 0.8184925), wk = 0.0020661 k( 482) = ( 0.2314815 0.1786067 0.8184925), wk = 0.0020661 k( 483) = ( 0.2407407 0.1857510 0.8184925), wk = 0.0020661 k( 484) = ( 0.2500000 0.1928953 0.8184925), wk = 0.0020661 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0000000 0.0000000 0.0071429), wk = 0.0020661 k( 3) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0020661 k( 4) = ( 0.0000000 0.0000000 0.0214286), wk = 0.0020661 k( 5) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0020661 k( 6) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0020661 k( 7) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0020661 k( 8) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0020661 k( 9) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0020661 k( 10) = ( 0.0000000 0.0000000 0.0642857), wk = 0.0020661 k( 11) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0020661 k( 12) = ( 0.0000000 0.0000000 0.0785714), wk = 0.0020661 k( 13) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0020661 k( 14) = ( 0.0000000 0.0000000 0.0928571), wk = 0.0020661 k( 15) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0020661 k( 16) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0020661 k( 17) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0020661 k( 18) = ( 0.0000000 0.0000000 0.1214286), wk = 0.0020661 k( 19) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0020661 k( 20) = ( 0.0000000 0.0000000 0.1357143), wk = 0.0020661 k( 21) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0020661 k( 22) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0020661 k( 23) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0020661 k( 24) = ( 0.0000000 0.0000000 0.1642857), wk = 0.0020661 k( 25) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0020661 k( 26) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0020661 k( 27) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0020661 k( 28) = ( 0.0000000 0.0000000 0.1928571), wk = 0.0020661 k( 29) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0020661 k( 30) = ( 0.0000000 0.0000000 0.2071429), wk = 0.0020661 k( 31) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0020661 k( 32) = ( 0.0000000 0.0000000 0.2214286), wk = 0.0020661 k( 33) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0020661 k( 34) = ( 0.0000000 0.0000000 0.2357143), wk = 0.0020661 k( 35) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0020661 k( 36) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020661 k( 37) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0020661 k( 38) = ( 0.0000000 0.0000000 0.2642857), wk = 0.0020661 k( 39) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0020661 k( 40) = ( 0.0000000 0.0000000 0.2785714), wk = 0.0020661 k( 41) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0020661 k( 42) = ( 0.0000000 0.0000000 0.2928571), wk = 0.0020661 k( 43) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0020661 k( 44) = ( 0.0000000 0.0000000 0.3071429), wk = 0.0020661 k( 45) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0020661 k( 46) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0020661 k( 47) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0020661 k( 48) = ( 0.0000000 0.0000000 0.3357143), wk = 0.0020661 k( 49) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0020661 k( 50) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0020661 k( 51) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0020661 k( 52) = ( 0.0000000 0.0000000 0.3642857), wk = 0.0020661 k( 53) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0020661 k( 54) = ( 0.0000000 0.0000000 0.3785714), wk = 0.0020661 k( 55) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0020661 k( 56) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0020661 k( 57) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0020661 k( 58) = ( 0.0000000 0.0000000 0.4071429), wk = 0.0020661 k( 59) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0020661 k( 60) = ( 0.0000000 0.0000000 0.4214286), wk = 0.0020661 k( 61) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0020661 k( 62) = ( 0.0000000 0.0000000 0.4357143), wk = 0.0020661 k( 63) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0020661 k( 64) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0020661 k( 65) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0020661 k( 66) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0020661 k( 67) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0020661 k( 68) = ( 0.0000000 0.0000000 0.4785714), wk = 0.0020661 k( 69) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0020661 k( 70) = ( 0.0000000 0.0000000 0.4928571), wk = 0.0020661 k( 71) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 72) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 73) = ( -0.0070874 0.0070874 0.5000000), wk = 0.0020661 k( 74) = ( -0.0141747 0.0141747 0.5000000), wk = 0.0020661 k( 75) = ( -0.0212621 0.0212621 0.5000000), wk = 0.0020661 k( 76) = ( -0.0283494 0.0283494 0.5000000), wk = 0.0020661 k( 77) = ( -0.0354367 0.0354367 0.5000000), wk = 0.0020661 k( 78) = ( -0.0425241 0.0425241 0.5000000), wk = 0.0020661 k( 79) = ( -0.0496114 0.0496114 0.5000000), wk = 0.0020661 k( 80) = ( -0.0566988 0.0566988 0.5000000), wk = 0.0020661 k( 81) = ( -0.0637861 0.0637861 0.5000000), wk = 0.0020661 k( 82) = ( -0.0708735 0.0708735 0.5000000), wk = 0.0020661 k( 83) = ( -0.0779608 0.0779608 0.5000000), wk = 0.0020661 k( 84) = ( -0.0850482 0.0850482 0.5000000), wk = 0.0020661 k( 85) = ( -0.0921355 0.0921355 0.5000000), wk = 0.0020661 k( 86) = ( -0.0992229 0.0992229 0.5000000), wk = 0.0020661 k( 87) = ( -0.1063102 0.1063102 0.5000000), wk = 0.0020661 k( 88) = ( -0.1133976 0.1133976 0.5000000), wk = 0.0020661 k( 89) = ( -0.1204849 0.1204849 0.5000000), wk = 0.0020661 k( 90) = ( -0.1275723 0.1275723 0.5000000), wk = 0.0020661 k( 91) = ( -0.1346596 0.1346596 0.5000000), wk = 0.0020661 k( 92) = ( -0.1417470 0.1417470 0.5000000), wk = 0.0020661 k( 93) = ( -0.1488343 0.1488343 0.5000000), wk = 0.0020661 k( 94) = ( -0.1488343 0.1488343 0.5000000), wk = 0.0020661 k( 95) = ( -0.1538510 0.1538510 0.4949834), wk = 0.0020661 k( 96) = ( -0.1588676 0.1588676 0.4899667), wk = 0.0020661 k( 97) = ( -0.1638843 0.1638843 0.4849500), wk = 0.0020661 k( 98) = ( -0.1689009 0.1689009 0.4799334), wk = 0.0020661 k( 99) = ( -0.1739176 0.1739176 0.4749167), wk = 0.0020661 k( 100) = ( -0.1789342 0.1789342 0.4699001), wk = 0.0020661 k( 101) = ( -0.1839509 0.1839509 0.4648834), wk = 0.0020661 k( 102) = ( -0.1889675 0.1889675 0.4598668), wk = 0.0020661 k( 103) = ( -0.1939842 0.1939842 0.4548501), wk = 0.0020661 k( 104) = ( -0.1990009 0.1990008 0.4498335), wk = 0.0020661 k( 105) = ( -0.2040175 0.2040175 0.4448168), wk = 0.0020661 k( 106) = ( -0.2090342 0.2090341 0.4398002), wk = 0.0020661 k( 107) = ( -0.2140508 0.2140508 0.4347835), wk = 0.0020661 k( 108) = ( -0.2190675 0.2190675 0.4297669), wk = 0.0020661 k( 109) = ( -0.2240841 0.2240841 0.4247502), wk = 0.0020661 k( 110) = ( -0.2291008 0.2291008 0.4197336), wk = 0.0020661 k( 111) = ( -0.2341174 0.2341174 0.4147169), wk = 0.0020661 k( 112) = ( -0.2391341 0.2391341 0.4097003), wk = 0.0020661 k( 113) = ( -0.2441507 0.2441507 0.4046836), wk = 0.0020661 k( 114) = ( -0.2491674 0.2491674 0.3996670), wk = 0.0020661 k( 115) = ( -0.2541840 0.2541840 0.3946503), wk = 0.0020661 k( 116) = ( -0.2592007 0.2592007 0.3896336), wk = 0.0020661 k( 117) = ( -0.2642173 0.2642173 0.3846170), wk = 0.0020661 k( 118) = ( -0.2692340 0.2692340 0.3796003), wk = 0.0020661 k( 119) = ( -0.2742506 0.2742506 0.3745837), wk = 0.0020661 k( 120) = ( -0.2792673 0.2792673 0.3695670), wk = 0.0020661 k( 121) = ( -0.2842839 0.2842839 0.3645504), wk = 0.0020661 k( 122) = ( -0.2893006 0.2893006 0.3595337), wk = 0.0020661 k( 123) = ( -0.2943172 0.2943172 0.3545171), wk = 0.0020661 k( 124) = ( -0.2993339 0.2993339 0.3495004), wk = 0.0020661 k( 125) = ( -0.3043505 0.3043505 0.3444838), wk = 0.0020661 k( 126) = ( -0.3093672 0.3093672 0.3394671), wk = 0.0020661 k( 127) = ( -0.3143839 0.3143839 0.3344505), wk = 0.0020661 k( 128) = ( -0.3194005 0.3194005 0.3294338), wk = 0.0020661 k( 129) = ( -0.3244172 0.3244172 0.3244172), wk = 0.0020661 k( 130) = ( -0.3244172 0.3244172 0.3244172), wk = 0.0020661 k( 131) = ( -0.3194261 0.3194261 0.3194261), wk = 0.0020661 k( 132) = ( -0.3144351 0.3144351 0.3144351), wk = 0.0020661 k( 133) = ( -0.3094441 0.3094441 0.3094441), wk = 0.0020661 k( 134) = ( -0.3044530 0.3044530 0.3044530), wk = 0.0020661 k( 135) = ( -0.2994620 0.2994620 0.2994620), wk = 0.0020661 k( 136) = ( -0.2944710 0.2944710 0.2944710), wk = 0.0020661 k( 137) = ( -0.2894799 0.2894799 0.2894799), wk = 0.0020661 k( 138) = ( -0.2844889 0.2844889 0.2844889), wk = 0.0020661 k( 139) = ( -0.2794979 0.2794979 0.2794979), wk = 0.0020661 k( 140) = ( -0.2745068 0.2745068 0.2745068), wk = 0.0020661 k( 141) = ( -0.2695158 0.2695158 0.2695158), wk = 0.0020661 k( 142) = ( -0.2645248 0.2645248 0.2645248), wk = 0.0020661 k( 143) = ( -0.2595337 0.2595337 0.2595337), wk = 0.0020661 k( 144) = ( -0.2545427 0.2545427 0.2545427), wk = 0.0020661 k( 145) = ( -0.2495517 0.2495517 0.2495517), wk = 0.0020661 k( 146) = ( -0.2445606 0.2445606 0.2445606), wk = 0.0020661 k( 147) = ( -0.2395696 0.2395696 0.2395696), wk = 0.0020661 k( 148) = ( -0.2345786 0.2345786 0.2345786), wk = 0.0020661 k( 149) = ( -0.2295875 0.2295875 0.2295875), wk = 0.0020661 k( 150) = ( -0.2245965 0.2245965 0.2245965), wk = 0.0020661 k( 151) = ( -0.2196055 0.2196055 0.2196055), wk = 0.0020661 k( 152) = ( -0.2146144 0.2146144 0.2146144), wk = 0.0020661 k( 153) = ( -0.2096234 0.2096234 0.2096234), wk = 0.0020661 k( 154) = ( -0.2046324 0.2046324 0.2046324), wk = 0.0020661 k( 155) = ( -0.1996413 0.1996413 0.1996413), wk = 0.0020661 k( 156) = ( -0.1946503 0.1946503 0.1946503), wk = 0.0020661 k( 157) = ( -0.1896593 0.1896593 0.1896593), wk = 0.0020661 k( 158) = ( -0.1846682 0.1846682 0.1846682), wk = 0.0020661 k( 159) = ( -0.1796772 0.1796772 0.1796772), wk = 0.0020661 k( 160) = ( -0.1746862 0.1746862 0.1746862), wk = 0.0020661 k( 161) = ( -0.1696951 0.1696951 0.1696951), wk = 0.0020661 k( 162) = ( -0.1647041 0.1647041 0.1647041), wk = 0.0020661 k( 163) = ( -0.1597131 0.1597131 0.1597131), wk = 0.0020661 k( 164) = ( -0.1547220 0.1547220 0.1547220), wk = 0.0020661 k( 165) = ( -0.1497310 0.1497310 0.1497310), wk = 0.0020661 k( 166) = ( -0.1447400 0.1447400 0.1447400), wk = 0.0020661 k( 167) = ( -0.1397489 0.1397489 0.1397489), wk = 0.0020661 k( 168) = ( -0.1347579 0.1347579 0.1347579), wk = 0.0020661 k( 169) = ( -0.1297669 0.1297669 0.1297669), wk = 0.0020661 k( 170) = ( -0.1247758 0.1247758 0.1247758), wk = 0.0020661 k( 171) = ( -0.1197848 0.1197848 0.1197848), wk = 0.0020661 k( 172) = ( -0.1147938 0.1147938 0.1147938), wk = 0.0020661 k( 173) = ( -0.1098027 0.1098027 0.1098027), wk = 0.0020661 k( 174) = ( -0.1048117 0.1048117 0.1048117), wk = 0.0020661 k( 175) = ( -0.0998207 0.0998207 0.0998207), wk = 0.0020661 k( 176) = ( -0.0948296 0.0948296 0.0948296), wk = 0.0020661 k( 177) = ( -0.0898386 0.0898386 0.0898386), wk = 0.0020661 k( 178) = ( -0.0848476 0.0848476 0.0848476), wk = 0.0020661 k( 179) = ( -0.0798565 0.0798565 0.0798565), wk = 0.0020661 k( 180) = ( -0.0748655 0.0748655 0.0748655), wk = 0.0020661 k( 181) = ( -0.0698745 0.0698745 0.0698745), wk = 0.0020661 k( 182) = ( -0.0648834 0.0648834 0.0648834), wk = 0.0020661 k( 183) = ( -0.0598924 0.0598924 0.0598924), wk = 0.0020661 k( 184) = ( -0.0549014 0.0549014 0.0549014), wk = 0.0020661 k( 185) = ( -0.0499103 0.0499103 0.0499103), wk = 0.0020661 k( 186) = ( -0.0449193 0.0449193 0.0449193), wk = 0.0020661 k( 187) = ( -0.0399283 0.0399283 0.0399283), wk = 0.0020661 k( 188) = ( -0.0349372 0.0349372 0.0349372), wk = 0.0020661 k( 189) = ( -0.0299462 0.0299462 0.0299462), wk = 0.0020661 k( 190) = ( -0.0249552 0.0249552 0.0249552), wk = 0.0020661 k( 191) = ( -0.0199641 0.0199641 0.0199641), wk = 0.0020661 k( 192) = ( -0.0149731 0.0149731 0.0149731), wk = 0.0020661 k( 193) = ( -0.0099821 0.0099821 0.0099821), wk = 0.0020661 k( 194) = ( -0.0049910 0.0049910 0.0049910), wk = 0.0020661 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 197) = ( 0.0092593 0.0092593 -0.0092593), wk = 0.0020661 k( 198) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0020661 k( 199) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0020661 k( 200) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0020661 k( 201) = ( 0.0462963 0.0462963 -0.0462963), wk = 0.0020661 k( 202) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0020661 k( 203) = ( 0.0648148 0.0648148 -0.0648148), wk = 0.0020661 k( 204) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0020661 k( 205) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0020661 k( 206) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0020661 k( 207) = ( 0.1018518 0.1018519 -0.1018518), wk = 0.0020661 k( 208) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0020661 k( 209) = ( 0.1203704 0.1203704 -0.1203704), wk = 0.0020661 k( 210) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0020661 k( 211) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0020661 k( 212) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0020661 k( 213) = ( 0.1574074 0.1574074 -0.1574074), wk = 0.0020661 k( 214) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0020661 k( 215) = ( 0.1759259 0.1759259 -0.1759259), wk = 0.0020661 k( 216) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0020661 k( 217) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0020661 k( 218) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0020661 k( 219) = ( 0.2129630 0.2129630 -0.2129630), wk = 0.0020661 k( 220) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0020661 k( 221) = ( 0.2314815 0.2314815 -0.2314815), wk = 0.0020661 k( 222) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0020661 k( 223) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0020661 k( 224) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0020661 k( 225) = ( 0.2685185 0.2685185 -0.2685185), wk = 0.0020661 k( 226) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0020661 k( 227) = ( 0.2870370 0.2870370 -0.2870370), wk = 0.0020661 k( 228) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0020661 k( 229) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0020661 k( 230) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0020661 k( 231) = ( 0.3240741 0.3240741 -0.3240741), wk = 0.0020661 k( 232) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0020661 k( 233) = ( 0.3425926 0.3425926 -0.3425926), wk = 0.0020661 k( 234) = ( 0.3518519 0.3518518 -0.3518519), wk = 0.0020661 k( 235) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0020661 k( 236) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0020661 k( 237) = ( 0.3796296 0.3796296 -0.3796296), wk = 0.0020661 k( 238) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0020661 k( 239) = ( 0.3981481 0.3981481 -0.3981481), wk = 0.0020661 k( 240) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0020661 k( 241) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0020661 k( 242) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0020661 k( 243) = ( 0.4351852 0.4351852 -0.4351852), wk = 0.0020661 k( 244) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0020661 k( 245) = ( 0.4537037 0.4537037 -0.4537037), wk = 0.0020661 k( 246) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0020661 k( 247) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0020661 k( 248) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0020661 k( 249) = ( 0.4907407 0.4907407 -0.4907407), wk = 0.0020661 k( 250) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0020661 k( 251) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0020661 k( 252) = ( 0.4949833 0.5050166 -0.4949833), wk = 0.0020661 k( 253) = ( 0.4899667 0.5100333 -0.4899667), wk = 0.0020661 k( 254) = ( 0.4849500 0.5150500 -0.4849500), wk = 0.0020661 k( 255) = ( 0.4799334 0.5200666 -0.4799334), wk = 0.0020661 k( 256) = ( 0.4749167 0.5250833 -0.4749167), wk = 0.0020661 k( 257) = ( 0.4699001 0.5300999 -0.4699001), wk = 0.0020661 k( 258) = ( 0.4648834 0.5351166 -0.4648834), wk = 0.0020661 k( 259) = ( 0.4598668 0.5401332 -0.4598668), wk = 0.0020661 k( 260) = ( 0.4548501 0.5451499 -0.4548501), wk = 0.0020661 k( 261) = ( 0.4498335 0.5501665 -0.4498335), wk = 0.0020661 k( 262) = ( 0.4448168 0.5551832 -0.4448168), wk = 0.0020661 k( 263) = ( 0.4398002 0.5601998 -0.4398002), wk = 0.0020661 k( 264) = ( 0.4347835 0.5652165 -0.4347835), wk = 0.0020661 k( 265) = ( 0.4297669 0.5702331 -0.4297669), wk = 0.0020661 k( 266) = ( 0.4247502 0.5752498 -0.4247502), wk = 0.0020661 k( 267) = ( 0.4197336 0.5802664 -0.4197336), wk = 0.0020661 k( 268) = ( 0.4147169 0.5852831 -0.4147169), wk = 0.0020661 k( 269) = ( 0.4097002 0.5902998 -0.4097002), wk = 0.0020661 k( 270) = ( 0.4046836 0.5953164 -0.4046836), wk = 0.0020661 k( 271) = ( 0.3996670 0.6003331 -0.3996669), wk = 0.0020661 k( 272) = ( 0.3946503 0.6053497 -0.3946503), wk = 0.0020661 k( 273) = ( 0.3896336 0.6103664 -0.3896336), wk = 0.0020661 k( 274) = ( 0.3846170 0.6153830 -0.3846170), wk = 0.0020661 k( 275) = ( 0.3796003 0.6203997 -0.3796003), wk = 0.0020661 k( 276) = ( 0.3745837 0.6254163 -0.3745837), wk = 0.0020661 k( 277) = ( 0.3695670 0.6304330 -0.3695670), wk = 0.0020661 k( 278) = ( 0.3645504 0.6354496 -0.3645504), wk = 0.0020661 k( 279) = ( 0.3595337 0.6404663 -0.3595337), wk = 0.0020661 k( 280) = ( 0.3545171 0.6454829 -0.3545171), wk = 0.0020661 k( 281) = ( 0.3495004 0.6504996 -0.3495004), wk = 0.0020661 k( 282) = ( 0.3444838 0.6555162 -0.3444838), wk = 0.0020661 k( 283) = ( 0.3394671 0.6605329 -0.3394671), wk = 0.0020661 k( 284) = ( 0.3344505 0.6655495 -0.3344505), wk = 0.0020661 k( 285) = ( 0.3294338 0.6705662 -0.3294338), wk = 0.0020661 k( 286) = ( 0.3244172 0.6755828 -0.3244172), wk = 0.0020661 k( 287) = ( 0.3244172 0.6755828 -0.3244172), wk = 0.0020661 k( 288) = ( 0.3139521 0.6699189 -0.3139521), wk = 0.0020661 k( 289) = ( 0.3034870 0.6642549 -0.3034870), wk = 0.0020661 k( 290) = ( 0.2930219 0.6585910 -0.2930219), wk = 0.0020661 k( 291) = ( 0.2825569 0.6529270 -0.2825569), wk = 0.0020661 k( 292) = ( 0.2720918 0.6472630 -0.2720918), wk = 0.0020661 k( 293) = ( 0.2616267 0.6415991 -0.2616267), wk = 0.0020661 k( 294) = ( 0.2511617 0.6359351 -0.2511617), wk = 0.0020661 k( 295) = ( 0.2406966 0.6302711 -0.2406966), wk = 0.0020661 k( 296) = ( 0.2302315 0.6246072 -0.2302315), wk = 0.0020661 k( 297) = ( 0.2197665 0.6189432 -0.2197665), wk = 0.0020661 k( 298) = ( 0.2093014 0.6132793 -0.2093014), wk = 0.0020661 k( 299) = ( 0.1988363 0.6076153 -0.1988363), wk = 0.0020661 k( 300) = ( 0.1883712 0.6019513 -0.1883713), wk = 0.0020661 k( 301) = ( 0.1779062 0.5962874 -0.1779062), wk = 0.0020661 k( 302) = ( 0.1674411 0.5906234 -0.1674411), wk = 0.0020661 k( 303) = ( 0.1569761 0.5849594 -0.1569761), wk = 0.0020661 k( 304) = ( 0.1465110 0.5792955 -0.1465110), wk = 0.0020661 k( 305) = ( 0.1360459 0.5736315 -0.1360459), wk = 0.0020661 k( 306) = ( 0.1255808 0.5679676 -0.1255808), wk = 0.0020661 k( 307) = ( 0.1151158 0.5623036 -0.1151158), wk = 0.0020661 k( 308) = ( 0.1046507 0.5566396 -0.1046507), wk = 0.0020661 k( 309) = ( 0.0941856 0.5509757 -0.0941856), wk = 0.0020661 k( 310) = ( 0.0837206 0.5453117 -0.0837206), wk = 0.0020661 k( 311) = ( 0.0732555 0.5396477 -0.0732555), wk = 0.0020661 k( 312) = ( 0.0627904 0.5339838 -0.0627904), wk = 0.0020661 k( 313) = ( 0.0523253 0.5283198 -0.0523253), wk = 0.0020661 k( 314) = ( 0.0418603 0.5226559 -0.0418603), wk = 0.0020661 k( 315) = ( 0.0313952 0.5169919 -0.0313952), wk = 0.0020661 k( 316) = ( 0.0209301 0.5113279 -0.0209301), wk = 0.0020661 k( 317) = ( 0.0104651 0.5056640 -0.0104651), wk = 0.0020661 k( 318) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020661 k( 319) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020661 k( 320) = ( 0.0050000 0.4950000 0.0050000), wk = 0.0020661 k( 321) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0020661 k( 322) = ( 0.0150000 0.4850000 0.0150000), wk = 0.0020661 k( 323) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0020661 k( 324) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0020661 k( 325) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0020661 k( 326) = ( 0.0350000 0.4650000 0.0350000), wk = 0.0020661 k( 327) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0020661 k( 328) = ( 0.0450000 0.4550000 0.0450000), wk = 0.0020661 k( 329) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0020661 k( 330) = ( 0.0550000 0.4450000 0.0550000), wk = 0.0020661 k( 331) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0020661 k( 332) = ( 0.0650000 0.4350000 0.0650000), wk = 0.0020661 k( 333) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0020661 k( 334) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0020661 k( 335) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0020661 k( 336) = ( 0.0850000 0.4150000 0.0850000), wk = 0.0020661 k( 337) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0020661 k( 338) = ( 0.0950000 0.4050000 0.0950000), wk = 0.0020661 k( 339) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0020661 k( 340) = ( 0.1050000 0.3950000 0.1050000), wk = 0.0020661 k( 341) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0020661 k( 342) = ( 0.1150000 0.3850000 0.1150000), wk = 0.0020661 k( 343) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0020661 k( 344) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0020661 k( 345) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0020661 k( 346) = ( 0.1350000 0.3650000 0.1350000), wk = 0.0020661 k( 347) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0020661 k( 348) = ( 0.1450000 0.3550000 0.1450000), wk = 0.0020661 k( 349) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0020661 k( 350) = ( 0.1550000 0.3450000 0.1550000), wk = 0.0020661 k( 351) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0020661 k( 352) = ( 0.1650000 0.3350000 0.1650000), wk = 0.0020661 k( 353) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0020661 k( 354) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0020661 k( 355) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0020661 k( 356) = ( 0.1850000 0.3150000 0.1850000), wk = 0.0020661 k( 357) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0020661 k( 358) = ( 0.1950000 0.3050000 0.1950000), wk = 0.0020661 k( 359) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0020661 k( 360) = ( 0.2050000 0.2950000 0.2050000), wk = 0.0020661 k( 361) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0020661 k( 362) = ( 0.2150000 0.2850000 0.2150000), wk = 0.0020661 k( 363) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0020661 k( 364) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0020661 k( 365) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0020661 k( 366) = ( 0.2350000 0.2650000 0.2350000), wk = 0.0020661 k( 367) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0020661 k( 368) = ( 0.2450000 0.2550000 0.2450000), wk = 0.0020661 k( 369) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020661 k( 370) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020661 k( 371) = ( 0.2571429 0.2571429 0.2386047), wk = 0.0020661 k( 372) = ( 0.2642857 0.2642857 0.2272095), wk = 0.0020661 k( 373) = ( 0.2714286 0.2714286 0.2158142), wk = 0.0020661 k( 374) = ( 0.2785714 0.2785714 0.2044189), wk = 0.0020661 k( 375) = ( 0.2857143 0.2857143 0.1930237), wk = 0.0020661 k( 376) = ( 0.2928571 0.2928571 0.1816284), wk = 0.0020661 k( 377) = ( 0.3000000 0.3000000 0.1702331), wk = 0.0020661 k( 378) = ( 0.3071429 0.3071429 0.1588379), wk = 0.0020661 k( 379) = ( 0.3142857 0.3142857 0.1474426), wk = 0.0020661 k( 380) = ( 0.3214286 0.3214286 0.1360473), wk = 0.0020661 k( 381) = ( 0.3285714 0.3285714 0.1246521), wk = 0.0020661 k( 382) = ( 0.3357143 0.3357143 0.1132568), wk = 0.0020661 k( 383) = ( 0.3428571 0.3428571 0.1018615), wk = 0.0020661 k( 384) = ( 0.3500000 0.3500000 0.0904663), wk = 0.0020661 k( 385) = ( 0.3571429 0.3571429 0.0790710), wk = 0.0020661 k( 386) = ( 0.3642857 0.3642857 0.0676757), wk = 0.0020661 k( 387) = ( 0.3714286 0.3714286 0.0562805), wk = 0.0020661 k( 388) = ( 0.3785714 0.3785714 0.0448852), wk = 0.0020661 k( 389) = ( 0.3857143 0.3857143 0.0334899), wk = 0.0020661 k( 390) = ( 0.3928571 0.3928571 0.0220947), wk = 0.0020661 k( 391) = ( 0.4000000 0.4000000 0.0106994), wk = 0.0020661 k( 392) = ( 0.4071429 0.4071429 -0.0006959), wk = 0.0020661 k( 393) = ( 0.4142857 0.4142857 -0.0120911), wk = 0.0020661 k( 394) = ( 0.4214286 0.4214286 -0.0234864), wk = 0.0020661 k( 395) = ( 0.4285714 0.4285714 -0.0348817), wk = 0.0020661 k( 396) = ( 0.4357143 0.4357143 -0.0462769), wk = 0.0020661 k( 397) = ( 0.4428571 0.4428571 -0.0576722), wk = 0.0020661 k( 398) = ( 0.4500000 0.4500000 -0.0690675), wk = 0.0020661 k( 399) = ( 0.4571429 0.4571429 -0.0804627), wk = 0.0020661 k( 400) = ( 0.4642857 0.4642857 -0.0918580), wk = 0.0020661 k( 401) = ( 0.4714286 0.4714286 -0.1032533), wk = 0.0020661 k( 402) = ( 0.4785714 0.4785714 -0.1146485), wk = 0.0020661 k( 403) = ( 0.4857143 0.4857143 -0.1260438), wk = 0.0020661 k( 404) = ( 0.4928571 0.4928571 -0.1374390), wk = 0.0020661 k( 405) = ( 0.5000000 0.5000000 -0.1488343), wk = 0.0020661 k( 406) = ( 0.5000000 0.5000000 -0.1488343), wk = 0.0020661 k( 407) = ( 0.5000000 0.5000000 -0.1558576), wk = 0.0020661 k( 408) = ( 0.5000000 0.5000000 -0.1628809), wk = 0.0020661 k( 409) = ( 0.5000000 0.5000000 -0.1699043), wk = 0.0020661 k( 410) = ( 0.5000000 0.5000000 -0.1769276), wk = 0.0020661 k( 411) = ( 0.5000000 0.5000000 -0.1839509), wk = 0.0020661 k( 412) = ( 0.5000000 0.5000000 -0.1909742), wk = 0.0020661 k( 413) = ( 0.5000000 0.5000000 -0.1979975), wk = 0.0020661 k( 414) = ( 0.5000000 0.5000000 -0.2050208), wk = 0.0020661 k( 415) = ( 0.5000000 0.5000000 -0.2120441), wk = 0.0020661 k( 416) = ( 0.5000000 0.5000000 -0.2190675), wk = 0.0020661 k( 417) = ( 0.5000000 0.5000000 -0.2260908), wk = 0.0020661 k( 418) = ( 0.5000000 0.5000000 -0.2331141), wk = 0.0020661 k( 419) = ( 0.5000000 0.5000000 -0.2401374), wk = 0.0020661 k( 420) = ( 0.5000000 0.5000000 -0.2471607), wk = 0.0020661 k( 421) = ( 0.5000000 0.5000000 -0.2541840), wk = 0.0020661 k( 422) = ( 0.5000000 0.5000000 -0.2612073), wk = 0.0020661 k( 423) = ( 0.5000000 0.5000000 -0.2682306), wk = 0.0020661 k( 424) = ( 0.5000000 0.5000000 -0.2752540), wk = 0.0020661 k( 425) = ( 0.5000000 0.5000000 -0.2822773), wk = 0.0020661 k( 426) = ( 0.5000000 0.5000000 -0.2893006), wk = 0.0020661 k( 427) = ( 0.5000000 0.5000000 -0.2963239), wk = 0.0020661 k( 428) = ( 0.5000000 0.5000000 -0.3033472), wk = 0.0020661 k( 429) = ( 0.5000000 0.5000000 -0.3103705), wk = 0.0020661 k( 430) = ( 0.5000000 0.5000000 -0.3173938), wk = 0.0020661 k( 431) = ( 0.5000000 0.5000000 -0.3244172), wk = 0.0020661 k( 432) = ( 0.5000000 0.5000000 -0.3314405), wk = 0.0020661 k( 433) = ( 0.5000000 0.5000000 -0.3384638), wk = 0.0020661 k( 434) = ( 0.5000000 0.5000000 -0.3454871), wk = 0.0020661 k( 435) = ( 0.5000000 0.5000000 -0.3525104), wk = 0.0020661 k( 436) = ( 0.5000000 0.5000000 -0.3595337), wk = 0.0020661 k( 437) = ( 0.5000000 0.5000000 -0.3665570), wk = 0.0020661 k( 438) = ( 0.5000000 0.5000000 -0.3735804), wk = 0.0020661 k( 439) = ( 0.5000000 0.5000000 -0.3806037), wk = 0.0020661 k( 440) = ( 0.5000000 0.5000000 -0.3876270), wk = 0.0020661 k( 441) = ( 0.5000000 0.5000000 -0.3946503), wk = 0.0020661 k( 442) = ( 0.5000000 0.5000000 -0.4016736), wk = 0.0020661 k( 443) = ( 0.5000000 0.5000000 -0.4086969), wk = 0.0020661 k( 444) = ( 0.5000000 0.5000000 -0.4157202), wk = 0.0020661 k( 445) = ( 0.5000000 0.5000000 -0.4227436), wk = 0.0020661 k( 446) = ( 0.5000000 0.5000000 -0.4297669), wk = 0.0020661 k( 447) = ( 0.5000000 0.5000000 -0.4367902), wk = 0.0020661 k( 448) = ( 0.5000000 0.5000000 -0.4438135), wk = 0.0020661 k( 449) = ( 0.5000000 0.5000000 -0.4508368), wk = 0.0020661 k( 450) = ( 0.5000000 0.5000000 -0.4578601), wk = 0.0020661 k( 451) = ( 0.5000000 0.5000000 -0.4648834), wk = 0.0020661 k( 452) = ( 0.5000000 0.5000000 -0.4719067), wk = 0.0020661 k( 453) = ( 0.5000000 0.5000000 -0.4789301), wk = 0.0020661 k( 454) = ( 0.5000000 0.5000000 -0.4859534), wk = 0.0020661 k( 455) = ( 0.5000000 0.5000000 -0.4929767), wk = 0.0020661 k( 456) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0020661 k( 457) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 458) = ( 0.0092593 0.0092593 0.4907407), wk = 0.0020661 k( 459) = ( 0.0185185 0.0185185 0.4814815), wk = 0.0020661 k( 460) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0020661 k( 461) = ( 0.0370370 0.0370370 0.4629630), wk = 0.0020661 k( 462) = ( 0.0462963 0.0462963 0.4537037), wk = 0.0020661 k( 463) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0020661 k( 464) = ( 0.0648148 0.0648148 0.4351852), wk = 0.0020661 k( 465) = ( 0.0740741 0.0740741 0.4259259), wk = 0.0020661 k( 466) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0020661 k( 467) = ( 0.0925926 0.0925926 0.4074074), wk = 0.0020661 k( 468) = ( 0.1018518 0.1018519 0.3981481), wk = 0.0020661 k( 469) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0020661 k( 470) = ( 0.1203704 0.1203704 0.3796296), wk = 0.0020661 k( 471) = ( 0.1296296 0.1296296 0.3703704), wk = 0.0020661 k( 472) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0020661 k( 473) = ( 0.1481482 0.1481482 0.3518519), wk = 0.0020661 k( 474) = ( 0.1574074 0.1574074 0.3425926), wk = 0.0020661 k( 475) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0020661 k( 476) = ( 0.1759259 0.1759259 0.3240741), wk = 0.0020661 k( 477) = ( 0.1851852 0.1851852 0.3148148), wk = 0.0020661 k( 478) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0020661 k( 479) = ( 0.2037037 0.2037037 0.2962963), wk = 0.0020661 k( 480) = ( 0.2129630 0.2129630 0.2870370), wk = 0.0020661 k( 481) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0020661 k( 482) = ( 0.2314815 0.2314815 0.2685185), wk = 0.0020661 k( 483) = ( 0.2407407 0.2407407 0.2592593), wk = 0.0020661 k( 484) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020661 Dense grid: 13303 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 8981 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 74, 22) NL pseudopotentials 0.02 Mb ( 37, 34) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 371) G-vector shells 0.00 Mb ( 180) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 74, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.02 Mb ( 34, 2, 22) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Sn.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.2 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.4 secs Computing kpt #: 12 total cpu time spent up to now is 3.4 secs Computing kpt #: 13 total cpu time spent up to now is 3.5 secs Computing kpt #: 14 total cpu time spent up to now is 3.6 secs Computing kpt #: 15 total cpu time spent up to now is 3.7 secs Computing kpt #: 16 total cpu time spent up to now is 3.8 secs Computing kpt #: 17 total cpu time spent up to now is 3.8 secs Computing kpt #: 18 total cpu time spent up to now is 3.9 secs Computing kpt #: 19 total cpu time spent up to now is 4.0 secs Computing kpt #: 20 total cpu time spent up to now is 4.1 secs Computing kpt #: 21 total cpu time spent up to now is 4.2 secs Computing kpt #: 22 total cpu time spent up to now is 4.3 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.4 secs Computing kpt #: 25 total cpu time spent up to now is 4.5 secs Computing kpt #: 26 total cpu time spent up to now is 4.6 secs Computing kpt #: 27 total cpu time spent up to now is 4.7 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.8 secs Computing kpt #: 30 total cpu time spent up to now is 4.9 secs Computing kpt #: 31 total cpu time spent up to now is 5.0 secs Computing kpt #: 32 total cpu time spent up to now is 5.1 secs Computing kpt #: 33 total cpu time spent up to now is 5.1 secs Computing kpt #: 34 total cpu time spent up to now is 5.2 secs Computing kpt #: 35 total cpu time spent up to now is 5.3 secs Computing kpt #: 36 total cpu time spent up to now is 5.3 secs Computing kpt #: 37 total cpu time spent up to now is 5.4 secs Computing kpt #: 38 total cpu time spent up to now is 5.4 secs Computing kpt #: 39 total cpu time spent up to now is 5.5 secs Computing kpt #: 40 total cpu time spent up to now is 5.6 secs Computing kpt #: 41 total cpu time spent up to now is 5.6 secs Computing kpt #: 42 total cpu time spent up to now is 5.7 secs Computing kpt #: 43 total cpu time spent up to now is 5.7 secs Computing kpt #: 44 total cpu time spent up to now is 5.8 secs Computing kpt #: 45 total cpu time spent up to now is 5.8 secs Computing kpt #: 46 total cpu time spent up to now is 5.9 secs Computing kpt #: 47 total cpu time spent up to now is 5.9 secs Computing kpt #: 48 total cpu time spent up to now is 6.0 secs Computing kpt #: 49 total cpu time spent up to now is 6.0 secs Computing kpt #: 50 total cpu time spent up to now is 6.1 secs Computing kpt #: 51 total cpu time spent up to now is 6.1 secs Computing kpt #: 52 total cpu time spent up to now is 6.2 secs Computing kpt #: 53 total cpu time spent up to now is 6.2 secs Computing kpt #: 54 total cpu time spent up to now is 6.3 secs Computing kpt #: 55 total cpu time spent up to now is 6.3 secs Computing kpt #: 56 total cpu time spent up to now is 6.4 secs Computing kpt #: 57 total cpu time spent up to now is 6.4 secs Computing kpt #: 58 total cpu time spent up to now is 6.4 secs Computing kpt #: 59 total cpu time spent up to now is 6.5 secs Computing kpt #: 60 total cpu time spent up to now is 6.5 secs Computing kpt #: 61 total cpu time spent up to now is 6.6 secs Computing kpt #: 62 total cpu time spent up to now is 6.6 secs Computing kpt #: 63 total cpu time spent up to now is 6.7 secs Computing kpt #: 64 total cpu time spent up to now is 6.7 secs Computing kpt #: 65 total cpu time spent up to now is 6.8 secs Computing kpt #: 66 total cpu time spent up to now is 6.8 secs Computing kpt #: 67 total cpu time spent up to now is 6.9 secs Computing kpt #: 68 total cpu time spent up to now is 6.9 secs Computing kpt #: 69 total cpu time spent up to now is 7.0 secs Computing kpt #: 70 total cpu time spent up to now is 7.1 secs Computing kpt #: 71 total cpu time spent up to now is 7.1 secs Computing kpt #: 72 total cpu time spent up to now is 7.1 secs Computing kpt #: 73 total cpu time spent up to now is 7.2 secs Computing kpt #: 74 total cpu time spent up to now is 7.2 secs Computing kpt #: 75 total cpu time spent up to now is 7.3 secs Computing kpt #: 76 total cpu time spent up to now is 7.3 secs Computing kpt #: 77 total cpu time spent up to now is 7.4 secs Computing kpt #: 78 total cpu time spent up to now is 7.4 secs Computing kpt #: 79 total cpu time spent up to now is 7.5 secs Computing kpt #: 80 total cpu time spent up to now is 7.5 secs Computing kpt #: 81 total cpu time spent up to now is 7.6 secs Computing kpt #: 82 total cpu time spent up to now is 7.6 secs Computing kpt #: 83 total cpu time spent up to now is 7.7 secs Computing kpt #: 84 total cpu time spent up to now is 7.7 secs Computing kpt #: 85 total cpu time spent up to now is 7.8 secs Computing kpt #: 86 total cpu time spent up to now is 7.8 secs Computing kpt #: 87 total cpu time spent up to now is 7.9 secs Computing kpt #: 88 total cpu time spent up to now is 7.9 secs Computing kpt #: 89 total cpu time spent up to now is 8.0 secs Computing kpt #: 90 total cpu time spent up to now is 8.0 secs Computing kpt #: 91 total cpu time spent up to now is 8.1 secs Computing kpt #: 92 total cpu time spent up to now is 8.1 secs Computing kpt #: 93 total cpu time spent up to now is 8.2 secs Computing kpt #: 94 total cpu time spent up to now is 8.2 secs Computing kpt #: 95 total cpu time spent up to now is 8.3 secs Computing kpt #: 96 total cpu time spent up to now is 8.3 secs Computing kpt #: 97 total cpu time spent up to now is 8.4 secs Computing kpt #: 98 total cpu time spent up to now is 8.4 secs Computing kpt #: 99 total cpu time spent up to now is 8.5 secs Computing kpt #: 100 total cpu time spent up to now is 8.5 secs Computing kpt #: 101 total cpu time spent up to now is 8.6 secs Computing kpt #: 102 total cpu time spent up to now is 8.7 secs Computing kpt #: 103 total cpu time spent up to now is 8.7 secs Computing kpt #: 104 total cpu time spent up to now is 8.8 secs Computing kpt #: 105 total cpu time spent up to now is 8.8 secs Computing kpt #: 106 total cpu time spent up to now is 8.9 secs Computing kpt #: 107 total cpu time spent up to now is 8.9 secs Computing kpt #: 108 total cpu time spent up to now is 9.0 secs Computing kpt #: 109 total cpu time spent up to now is 9.1 secs Computing kpt #: 110 total cpu time spent up to now is 9.1 secs Computing kpt #: 111 total cpu time spent up to now is 9.2 secs Computing kpt #: 112 total cpu time spent up to now is 9.3 secs Computing kpt #: 113 total cpu time spent up to now is 9.4 secs Computing kpt #: 114 total cpu time spent up to now is 9.4 secs Computing kpt #: 115 total cpu time spent up to now is 9.5 secs Computing kpt #: 116 total cpu time spent up to now is 9.6 secs Computing kpt #: 117 total cpu time spent up to now is 9.7 secs Computing kpt #: 118 total cpu time spent up to now is 9.8 secs Computing kpt #: 119 total cpu time spent up to now is 9.9 secs Computing kpt #: 120 total cpu time spent up to now is 10.0 secs Computing kpt #: 121 total cpu time spent up to now is 10.1 secs Computing kpt #: 122 total cpu time spent up to now is 10.1 secs Computing kpt #: 123 total cpu time spent up to now is 10.2 secs Computing kpt #: 124 total cpu time spent up to now is 10.3 secs Computing kpt #: 125 total cpu time spent up to now is 10.4 secs Computing kpt #: 126 total cpu time spent up to now is 10.5 secs Computing kpt #: 127 total cpu time spent up to now is 10.6 secs Computing kpt #: 128 total cpu time spent up to now is 10.7 secs Computing kpt #: 129 total cpu time spent up to now is 10.7 secs Computing kpt #: 130 total cpu time spent up to now is 10.8 secs Computing kpt #: 131 total cpu time spent up to now is 10.9 secs Computing kpt #: 132 total cpu time spent up to now is 11.0 secs Computing kpt #: 133 total cpu time spent up to now is 11.1 secs Computing kpt #: 134 total cpu time spent up to now is 11.1 secs Computing kpt #: 135 total cpu time spent up to now is 11.2 secs Computing kpt #: 136 total cpu time spent up to now is 11.3 secs Computing kpt #: 137 total cpu time spent up to now is 11.3 secs Computing kpt #: 138 total cpu time spent up to now is 11.4 secs Computing kpt #: 139 total cpu time spent up to now is 11.5 secs Computing kpt #: 140 total cpu time spent up to now is 11.6 secs Computing kpt #: 141 total cpu time spent up to now is 11.6 secs Computing kpt #: 142 total cpu time spent up to now is 11.7 secs Computing kpt #: 143 total cpu time spent up to now is 11.8 secs Computing kpt #: 144 total cpu time spent up to now is 11.8 secs Computing kpt #: 145 total cpu time spent up to now is 11.9 secs Computing kpt #: 146 total cpu time spent up to now is 12.0 secs Computing kpt #: 147 total cpu time spent up to now is 12.0 secs Computing kpt #: 148 total cpu time spent up to now is 12.1 secs Computing kpt #: 149 total cpu time spent up to now is 12.2 secs Computing kpt #: 150 total cpu time spent up to now is 12.3 secs Computing kpt #: 151 total cpu time spent up to now is 12.3 secs Computing kpt #: 152 total cpu time spent up to now is 12.4 secs Computing kpt #: 153 total cpu time spent up to now is 12.5 secs Computing kpt #: 154 total cpu time spent up to now is 12.6 secs Computing kpt #: 155 total cpu time spent up to now is 12.7 secs Computing kpt #: 156 total cpu time spent up to now is 12.7 secs Computing kpt #: 157 total cpu time spent up to now is 12.8 secs Computing kpt #: 158 total cpu time spent up to now is 12.9 secs Computing kpt #: 159 total cpu time spent up to now is 13.0 secs Computing kpt #: 160 total cpu time spent up to now is 13.0 secs Computing kpt #: 161 total cpu time spent up to now is 13.1 secs Computing kpt #: 162 total cpu time spent up to now is 13.2 secs Computing kpt #: 163 total cpu time spent up to now is 13.3 secs Computing kpt #: 164 total cpu time spent up to now is 13.4 secs Computing kpt #: 165 total cpu time spent up to now is 13.4 secs Computing kpt #: 166 total cpu time spent up to now is 13.5 secs Computing kpt #: 167 total cpu time spent up to now is 13.6 secs Computing kpt #: 168 total cpu time spent up to now is 13.7 secs Computing kpt #: 169 total cpu time spent up to now is 13.8 secs Computing kpt #: 170 total cpu time spent up to now is 13.9 secs Computing kpt #: 171 total cpu time spent up to now is 13.9 secs Computing kpt #: 172 total cpu time spent up to now is 14.0 secs Computing kpt #: 173 total cpu time spent up to now is 14.1 secs Computing kpt #: 174 total cpu time spent up to now is 14.2 secs Computing kpt #: 175 total cpu time spent up to now is 14.2 secs Computing kpt #: 176 total cpu time spent up to now is 14.3 secs Computing kpt #: 177 total cpu time spent up to now is 14.4 secs Computing kpt #: 178 total cpu time spent up to now is 14.5 secs Computing kpt #: 179 total cpu time spent up to now is 14.5 secs Computing kpt #: 180 total cpu time spent up to now is 14.6 secs Computing kpt #: 181 total cpu time spent up to now is 14.7 secs Computing kpt #: 182 total cpu time spent up to now is 14.8 secs Computing kpt #: 183 total cpu time spent up to now is 14.8 secs Computing kpt #: 184 total cpu time spent up to now is 14.9 secs Computing kpt #: 185 total cpu time spent up to now is 15.0 secs Computing kpt #: 186 total cpu time spent up to now is 15.1 secs Computing kpt #: 187 total cpu time spent up to now is 15.1 secs Computing kpt #: 188 total cpu time spent up to now is 15.2 secs Computing kpt #: 189 total cpu time spent up to now is 15.3 secs Computing kpt #: 190 total cpu time spent up to now is 15.4 secs Computing kpt #: 191 total cpu time spent up to now is 15.5 secs Computing kpt #: 192 total cpu time spent up to now is 15.6 secs Computing kpt #: 193 total cpu time spent up to now is 15.7 secs Computing kpt #: 194 total cpu time spent up to now is 15.8 secs Computing kpt #: 195 total cpu time spent up to now is 15.9 secs Computing kpt #: 196 total cpu time spent up to now is 15.9 secs Computing kpt #: 197 total cpu time spent up to now is 16.0 secs Computing kpt #: 198 total cpu time spent up to now is 16.1 secs Computing kpt #: 199 total cpu time spent up to now is 16.1 secs Computing kpt #: 200 total cpu time spent up to now is 16.2 secs Computing kpt #: 201 total cpu time spent up to now is 16.3 secs Computing kpt #: 202 total cpu time spent up to now is 16.4 secs Computing kpt #: 203 total cpu time spent up to now is 16.4 secs Computing kpt #: 204 total cpu time spent up to now is 16.5 secs Computing kpt #: 205 total cpu time spent up to now is 16.6 secs Computing kpt #: 206 total cpu time spent up to now is 16.6 secs Computing kpt #: 207 total cpu time spent up to now is 16.7 secs Computing kpt #: 208 total cpu time spent up to now is 16.8 secs Computing kpt #: 209 total cpu time spent up to now is 16.8 secs Computing kpt #: 210 total cpu time spent up to now is 16.9 secs Computing kpt #: 211 total cpu time spent up to now is 16.9 secs Computing kpt #: 212 total cpu time spent up to now is 17.0 secs Computing kpt #: 213 total cpu time spent up to now is 17.2 secs Computing kpt #: 214 total cpu time spent up to now is 17.2 secs Computing kpt #: 215 total cpu time spent up to now is 17.3 secs Computing kpt #: 216 total cpu time spent up to now is 17.3 secs Computing kpt #: 217 total cpu time spent up to now is 17.4 secs Computing kpt #: 218 total cpu time spent up to now is 17.4 secs Computing kpt #: 219 total cpu time spent up to now is 17.5 secs Computing kpt #: 220 total cpu time spent up to now is 17.6 secs Computing kpt #: 221 total cpu time spent up to now is 17.6 secs Computing kpt #: 222 total cpu time spent up to now is 17.7 secs Computing kpt #: 223 total cpu time spent up to now is 17.7 secs Computing kpt #: 224 total cpu time spent up to now is 17.8 secs Computing kpt #: 225 total cpu time spent up to now is 17.8 secs Computing kpt #: 226 total cpu time spent up to now is 17.9 secs Computing kpt #: 227 total cpu time spent up to now is 17.9 secs Computing kpt #: 228 total cpu time spent up to now is 18.0 secs Computing kpt #: 229 total cpu time spent up to now is 18.0 secs Computing kpt #: 230 total cpu time spent up to now is 18.1 secs Computing kpt #: 231 total cpu time spent up to now is 18.1 secs Computing kpt #: 232 total cpu time spent up to now is 18.2 secs Computing kpt #: 233 total cpu time spent up to now is 18.2 secs Computing kpt #: 234 total cpu time spent up to now is 18.3 secs Computing kpt #: 235 total cpu time spent up to now is 18.3 secs Computing kpt #: 236 total cpu time spent up to now is 18.4 secs Computing kpt #: 237 total cpu time spent up to now is 18.4 secs Computing kpt #: 238 total cpu time spent up to now is 18.5 secs Computing kpt #: 239 total cpu time spent up to now is 18.5 secs Computing kpt #: 240 total cpu time spent up to now is 18.6 secs Computing kpt #: 241 total cpu time spent up to now is 18.6 secs Computing kpt #: 242 total cpu time spent up to now is 18.7 secs Computing kpt #: 243 total cpu time spent up to now is 18.7 secs Computing kpt #: 244 total cpu time spent up to now is 18.8 secs Computing kpt #: 245 total cpu time spent up to now is 18.8 secs Computing kpt #: 246 total cpu time spent up to now is 18.9 secs Computing kpt #: 247 total cpu time spent up to now is 18.9 secs Computing kpt #: 248 total cpu time spent up to now is 18.9 secs Computing kpt #: 249 total cpu time spent up to now is 19.0 secs Computing kpt #: 250 total cpu time spent up to now is 19.0 secs Computing kpt #: 251 total cpu time spent up to now is 19.1 secs Computing kpt #: 252 total cpu time spent up to now is 19.1 secs Computing kpt #: 253 total cpu time spent up to now is 19.2 secs Computing kpt #: 254 total cpu time spent up to now is 19.2 secs Computing kpt #: 255 total cpu time spent up to now is 19.3 secs Computing kpt #: 256 total cpu time spent up to now is 19.3 secs Computing kpt #: 257 total cpu time spent up to now is 19.4 secs Computing kpt #: 258 total cpu time spent up to now is 19.4 secs Computing kpt #: 259 total cpu time spent up to now is 19.5 secs Computing kpt #: 260 total cpu time spent up to now is 19.5 secs Computing kpt #: 261 total cpu time spent up to now is 19.6 secs Computing kpt #: 262 total cpu time spent up to now is 19.7 secs Computing kpt #: 263 total cpu time spent up to now is 19.7 secs Computing kpt #: 264 total cpu time spent up to now is 19.8 secs Computing kpt #: 265 total cpu time spent up to now is 19.8 secs Computing kpt #: 266 total cpu time spent up to now is 19.9 secs Computing kpt #: 267 total cpu time spent up to now is 19.9 secs Computing kpt #: 268 total cpu time spent up to now is 20.0 secs Computing kpt #: 269 total cpu time spent up to now is 20.0 secs Computing kpt #: 270 total cpu time spent up to now is 20.1 secs Computing kpt #: 271 total cpu time spent up to now is 20.1 secs Computing kpt #: 272 total cpu time spent up to now is 20.2 secs Computing kpt #: 273 total cpu time spent up to now is 20.3 secs Computing kpt #: 274 total cpu time spent up to now is 20.3 secs Computing kpt #: 275 total cpu time spent up to now is 20.4 secs Computing kpt #: 276 total cpu time spent up to now is 20.5 secs Computing kpt #: 277 total cpu time spent up to now is 20.5 secs Computing kpt #: 278 total cpu time spent up to now is 20.6 secs Computing kpt #: 279 total cpu time spent up to now is 20.7 secs Computing kpt #: 280 total cpu time spent up to now is 20.8 secs Computing kpt #: 281 total cpu time spent up to now is 20.9 secs Computing kpt #: 282 total cpu time spent up to now is 21.0 secs Computing kpt #: 283 total cpu time spent up to now is 21.1 secs Computing kpt #: 284 total cpu time spent up to now is 21.2 secs Computing kpt #: 285 total cpu time spent up to now is 21.3 secs Computing kpt #: 286 total cpu time spent up to now is 21.3 secs Computing kpt #: 287 total cpu time spent up to now is 21.4 secs Computing kpt #: 288 total cpu time spent up to now is 21.5 secs Computing kpt #: 289 total cpu time spent up to now is 21.6 secs Computing kpt #: 290 total cpu time spent up to now is 21.7 secs Computing kpt #: 291 total cpu time spent up to now is 21.7 secs Computing kpt #: 292 total cpu time spent up to now is 21.8 secs Computing kpt #: 293 total cpu time spent up to now is 21.9 secs Computing kpt #: 294 total cpu time spent up to now is 21.9 secs Computing kpt #: 295 total cpu time spent up to now is 22.0 secs Computing kpt #: 296 total cpu time spent up to now is 22.0 secs Computing kpt #: 297 total cpu time spent up to now is 22.1 secs Computing kpt #: 298 total cpu time spent up to now is 22.2 secs Computing kpt #: 299 total cpu time spent up to now is 22.2 secs Computing kpt #: 300 total cpu time spent up to now is 22.3 secs Computing kpt #: 301 total cpu time spent up to now is 22.4 secs Computing kpt #: 302 total cpu time spent up to now is 22.4 secs Computing kpt #: 303 total cpu time spent up to now is 22.5 secs Computing kpt #: 304 total cpu time spent up to now is 22.5 secs Computing kpt #: 305 total cpu time spent up to now is 22.6 secs Computing kpt #: 306 total cpu time spent up to now is 22.7 secs Computing kpt #: 307 total cpu time spent up to now is 22.7 secs Computing kpt #: 308 total cpu time spent up to now is 22.8 secs Computing kpt #: 309 total cpu time spent up to now is 22.9 secs Computing kpt #: 310 total cpu time spent up to now is 22.9 secs Computing kpt #: 311 total cpu time spent up to now is 23.0 secs Computing kpt #: 312 total cpu time spent up to now is 23.1 secs Computing kpt #: 313 total cpu time spent up to now is 23.2 secs Computing kpt #: 314 total cpu time spent up to now is 23.2 secs Computing kpt #: 315 total cpu time spent up to now is 23.3 secs Computing kpt #: 316 total cpu time spent up to now is 23.4 secs Computing kpt #: 317 total cpu time spent up to now is 23.5 secs Computing kpt #: 318 total cpu time spent up to now is 23.5 secs Computing kpt #: 319 total cpu time spent up to now is 23.6 secs Computing kpt #: 320 total cpu time spent up to now is 23.7 secs Computing kpt #: 321 total cpu time spent up to now is 23.8 secs Computing kpt #: 322 total cpu time spent up to now is 23.9 secs Computing kpt #: 323 total cpu time spent up to now is 23.9 secs Computing kpt #: 324 total cpu time spent up to now is 24.0 secs Computing kpt #: 325 total cpu time spent up to now is 24.1 secs Computing kpt #: 326 total cpu time spent up to now is 24.1 secs Computing kpt #: 327 total cpu time spent up to now is 24.2 secs Computing kpt #: 328 total cpu time spent up to now is 24.3 secs Computing kpt #: 329 total cpu time spent up to now is 24.3 secs Computing kpt #: 330 total cpu time spent up to now is 24.4 secs Computing kpt #: 331 total cpu time spent up to now is 24.4 secs Computing kpt #: 332 total cpu time spent up to now is 24.5 secs Computing kpt #: 333 total cpu time spent up to now is 24.5 secs Computing kpt #: 334 total cpu time spent up to now is 24.6 secs Computing kpt #: 335 total cpu time spent up to now is 24.6 secs Computing kpt #: 336 total cpu time spent up to now is 24.7 secs Computing kpt #: 337 total cpu time spent up to now is 24.7 secs Computing kpt #: 338 total cpu time spent up to now is 24.8 secs Computing kpt #: 339 total cpu time spent up to now is 24.9 secs Computing kpt #: 340 total cpu time spent up to now is 24.9 secs Computing kpt #: 341 total cpu time spent up to now is 25.0 secs Computing kpt #: 342 total cpu time spent up to now is 25.0 secs Computing kpt #: 343 total cpu time spent up to now is 25.1 secs Computing kpt #: 344 total cpu time spent up to now is 25.1 secs Computing kpt #: 345 total cpu time spent up to now is 25.2 secs Computing kpt #: 346 total cpu time spent up to now is 25.2 secs Computing kpt #: 347 total cpu time spent up to now is 25.3 secs Computing kpt #: 348 total cpu time spent up to now is 25.3 secs Computing kpt #: 349 total cpu time spent up to now is 25.4 secs Computing kpt #: 350 total cpu time spent up to now is 25.4 secs Computing kpt #: 351 total cpu time spent up to now is 25.5 secs Computing kpt #: 352 total cpu time spent up to now is 25.5 secs Computing kpt #: 353 total cpu time spent up to now is 25.6 secs Computing kpt #: 354 total cpu time spent up to now is 25.6 secs Computing kpt #: 355 total cpu time spent up to now is 25.7 secs Computing kpt #: 356 total cpu time spent up to now is 25.7 secs Computing kpt #: 357 total cpu time spent up to now is 25.8 secs Computing kpt #: 358 total cpu time spent up to now is 25.9 secs Computing kpt #: 359 total cpu time spent up to now is 25.9 secs Computing kpt #: 360 total cpu time spent up to now is 26.0 secs Computing kpt #: 361 total cpu time spent up to now is 26.0 secs Computing kpt #: 362 total cpu time spent up to now is 26.1 secs Computing kpt #: 363 total cpu time spent up to now is 26.1 secs Computing kpt #: 364 total cpu time spent up to now is 26.2 secs Computing kpt #: 365 total cpu time spent up to now is 26.3 secs Computing kpt #: 366 total cpu time spent up to now is 26.3 secs Computing kpt #: 367 total cpu time spent up to now is 26.4 secs Computing kpt #: 368 total cpu time spent up to now is 26.5 secs Computing kpt #: 369 total cpu time spent up to now is 26.5 secs Computing kpt #: 370 total cpu time spent up to now is 26.6 secs Computing kpt #: 371 total cpu time spent up to now is 26.7 secs Computing kpt #: 372 total cpu time spent up to now is 26.7 secs Computing kpt #: 373 total cpu time spent up to now is 26.8 secs Computing kpt #: 374 total cpu time spent up to now is 26.9 secs Computing kpt #: 375 total cpu time spent up to now is 26.9 secs Computing kpt #: 376 total cpu time spent up to now is 27.0 secs Computing kpt #: 377 total cpu time spent up to now is 27.0 secs Computing kpt #: 378 total cpu time spent up to now is 27.1 secs Computing kpt #: 379 total cpu time spent up to now is 27.1 secs Computing kpt #: 380 total cpu time spent up to now is 27.2 secs Computing kpt #: 381 total cpu time spent up to now is 27.2 secs Computing kpt #: 382 total cpu time spent up to now is 27.3 secs Computing kpt #: 383 total cpu time spent up to now is 27.3 secs Computing kpt #: 384 total cpu time spent up to now is 27.4 secs Computing kpt #: 385 total cpu time spent up to now is 27.5 secs Computing kpt #: 386 total cpu time spent up to now is 27.5 secs Computing kpt #: 387 total cpu time spent up to now is 27.6 secs Computing kpt #: 388 total cpu time spent up to now is 27.7 secs Computing kpt #: 389 total cpu time spent up to now is 27.7 secs Computing kpt #: 390 total cpu time spent up to now is 27.8 secs Computing kpt #: 391 total cpu time spent up to now is 27.8 secs Computing kpt #: 392 total cpu time spent up to now is 27.9 secs Computing kpt #: 393 total cpu time spent up to now is 27.9 secs Computing kpt #: 394 total cpu time spent up to now is 28.0 secs Computing kpt #: 395 total cpu time spent up to now is 28.0 secs Computing kpt #: 396 total cpu time spent up to now is 28.1 secs Computing kpt #: 397 total cpu time spent up to now is 28.1 secs Computing kpt #: 398 total cpu time spent up to now is 28.2 secs Computing kpt #: 399 total cpu time spent up to now is 28.2 secs Computing kpt #: 400 total cpu time spent up to now is 28.3 secs Computing kpt #: 401 total cpu time spent up to now is 28.3 secs Computing kpt #: 402 total cpu time spent up to now is 28.4 secs Computing kpt #: 403 total cpu time spent up to now is 28.4 secs Computing kpt #: 404 total cpu time spent up to now is 28.5 secs Computing kpt #: 405 total cpu time spent up to now is 28.6 secs Computing kpt #: 406 total cpu time spent up to now is 28.7 secs Computing kpt #: 407 total cpu time spent up to now is 28.7 secs Computing kpt #: 408 total cpu time spent up to now is 28.8 secs Computing kpt #: 409 total cpu time spent up to now is 28.8 secs Computing kpt #: 410 total cpu time spent up to now is 28.9 secs Computing kpt #: 411 total cpu time spent up to now is 28.9 secs Computing kpt #: 412 total cpu time spent up to now is 29.0 secs Computing kpt #: 413 total cpu time spent up to now is 29.1 secs Computing kpt #: 414 total cpu time spent up to now is 29.1 secs Computing kpt #: 415 total cpu time spent up to now is 29.2 secs Computing kpt #: 416 total cpu time spent up to now is 29.2 secs Computing kpt #: 417 total cpu time spent up to now is 29.3 secs Computing kpt #: 418 total cpu time spent up to now is 29.4 secs Computing kpt #: 419 total cpu time spent up to now is 29.4 secs Computing kpt #: 420 total cpu time spent up to now is 29.5 secs Computing kpt #: 421 total cpu time spent up to now is 29.6 secs Computing kpt #: 422 total cpu time spent up to now is 29.7 secs Computing kpt #: 423 total cpu time spent up to now is 29.7 secs Computing kpt #: 424 total cpu time spent up to now is 29.8 secs Computing kpt #: 425 total cpu time spent up to now is 29.9 secs Computing kpt #: 426 total cpu time spent up to now is 30.0 secs Computing kpt #: 427 total cpu time spent up to now is 30.1 secs Computing kpt #: 428 total cpu time spent up to now is 30.1 secs Computing kpt #: 429 total cpu time spent up to now is 30.2 secs Computing kpt #: 430 total cpu time spent up to now is 30.3 secs Computing kpt #: 431 total cpu time spent up to now is 30.3 secs Computing kpt #: 432 total cpu time spent up to now is 30.4 secs Computing kpt #: 433 total cpu time spent up to now is 30.4 secs Computing kpt #: 434 total cpu time spent up to now is 30.5 secs Computing kpt #: 435 total cpu time spent up to now is 30.6 secs Computing kpt #: 436 total cpu time spent up to now is 30.6 secs Computing kpt #: 437 total cpu time spent up to now is 30.7 secs Computing kpt #: 438 total cpu time spent up to now is 30.7 secs Computing kpt #: 439 total cpu time spent up to now is 30.8 secs Computing kpt #: 440 total cpu time spent up to now is 30.8 secs Computing kpt #: 441 total cpu time spent up to now is 30.9 secs Computing kpt #: 442 total cpu time spent up to now is 30.9 secs Computing kpt #: 443 total cpu time spent up to now is 31.0 secs Computing kpt #: 444 total cpu time spent up to now is 31.0 secs Computing kpt #: 445 total cpu time spent up to now is 31.1 secs Computing kpt #: 446 total cpu time spent up to now is 31.1 secs Computing kpt #: 447 total cpu time spent up to now is 31.2 secs Computing kpt #: 448 total cpu time spent up to now is 31.3 secs Computing kpt #: 449 total cpu time spent up to now is 31.3 secs Computing kpt #: 450 total cpu time spent up to now is 31.4 secs Computing kpt #: 451 total cpu time spent up to now is 31.4 secs Computing kpt #: 452 total cpu time spent up to now is 31.5 secs Computing kpt #: 453 total cpu time spent up to now is 31.5 secs Computing kpt #: 454 total cpu time spent up to now is 31.6 secs Computing kpt #: 455 total cpu time spent up to now is 31.6 secs Computing kpt #: 456 total cpu time spent up to now is 31.6 secs Computing kpt #: 457 total cpu time spent up to now is 31.7 secs Computing kpt #: 458 total cpu time spent up to now is 31.7 secs Computing kpt #: 459 total cpu time spent up to now is 31.8 secs Computing kpt #: 460 total cpu time spent up to now is 31.8 secs Computing kpt #: 461 total cpu time spent up to now is 31.9 secs Computing kpt #: 462 total cpu time spent up to now is 31.9 secs Computing kpt #: 463 total cpu time spent up to now is 32.0 secs Computing kpt #: 464 total cpu time spent up to now is 32.0 secs Computing kpt #: 465 total cpu time spent up to now is 32.1 secs Computing kpt #: 466 total cpu time spent up to now is 32.1 secs Computing kpt #: 467 total cpu time spent up to now is 32.2 secs Computing kpt #: 468 total cpu time spent up to now is 32.2 secs Computing kpt #: 469 total cpu time spent up to now is 32.3 secs Computing kpt #: 470 total cpu time spent up to now is 32.3 secs Computing kpt #: 471 total cpu time spent up to now is 32.4 secs Computing kpt #: 472 total cpu time spent up to now is 32.4 secs Computing kpt #: 473 total cpu time spent up to now is 32.5 secs Computing kpt #: 474 total cpu time spent up to now is 32.5 secs Computing kpt #: 475 total cpu time spent up to now is 32.6 secs Computing kpt #: 476 total cpu time spent up to now is 32.6 secs Computing kpt #: 477 total cpu time spent up to now is 32.7 secs Computing kpt #: 478 total cpu time spent up to now is 32.7 secs Computing kpt #: 479 total cpu time spent up to now is 32.8 secs Computing kpt #: 480 total cpu time spent up to now is 32.8 secs Computing kpt #: 481 total cpu time spent up to now is 32.9 secs Computing kpt #: 482 total cpu time spent up to now is 33.0 secs Computing kpt #: 483 total cpu time spent up to now is 33.0 secs Computing kpt #: 484 total cpu time spent up to now is 33.1 secs ethr = 7.14E-08, avg # of iterations = 11.9 total cpu time spent up to now is 33.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1113 PWs) bands (ev): -12.3127 -12.3127 -12.2996 -12.2996 -11.3092 -11.3092 -11.2791 -11.2791 -11.1921 -11.1921 -0.7836 -0.7836 15.3683 15.3683 16.8892 16.8892 17.3986 17.3986 20.3667 20.3667 20.8390 20.8390 k = 0.0000 0.0000 0.0117 ( 1113 PWs) bands (ev): -12.3126 -12.3126 -12.2996 -12.2996 -11.3092 -11.3092 -11.2791 -11.2791 -11.1921 -11.1921 -0.7821 -0.7821 15.3664 15.3664 16.8808 16.8808 17.3878 17.3878 20.3677 20.3677 20.8536 20.8536 k = 0.0000 0.0000 0.0234 ( 1113 PWs) bands (ev): -12.3125 -12.3125 -12.2996 -12.2996 -11.3090 -11.3090 -11.2790 -11.2790 -11.1922 -11.1922 -0.7774 -0.7774 15.3608 15.3608 16.8558 16.8558 17.3561 17.3561 20.3709 20.3709 20.8966 20.8966 k = 0.0000 0.0000 0.0351 ( 1109 PWs) bands (ev): -12.3122 -12.3122 -12.2995 -12.2995 -11.3087 -11.3087 -11.2788 -11.2788 -11.1925 -11.1925 -0.7696 -0.7696 15.3512 15.3512 16.8147 16.8147 17.3050 17.3050 20.3761 20.3761 20.9636 20.9636 k = 0.0000 0.0000 0.0468 ( 1105 PWs) bands (ev): -12.3118 -12.3118 -12.2994 -12.2994 -11.3082 -11.3082 -11.2786 -11.2786 -11.1928 -11.1928 -0.7588 -0.7588 15.3376 15.3376 16.7583 16.7583 17.2370 17.2370 20.3832 20.3832 20.8681 20.8681 k = 0.0000 0.0000 0.0585 ( 1109 PWs) bands (ev): -12.3112 -12.3112 -12.2992 -12.2992 -11.3077 -11.3077 -11.2784 -11.2784 -11.1932 -11.1932 -0.7448 -0.7448 15.3197 15.3197 16.6878 16.6878 17.1546 17.1546 20.3921 20.3921 20.7163 20.7163 k = 0.0000 0.0000 0.0702 ( 1109 PWs) bands (ev): -12.3106 -12.3106 -12.2990 -12.2990 -11.3070 -11.3070 -11.2780 -11.2780 -11.1936 -11.1936 -0.7277 -0.7277 15.2974 15.2974 16.6046 16.6046 17.0604 17.0604 20.4014 20.4014 20.5614 20.5614 k = 0.0000 0.0000 0.0818 ( 1117 PWs) bands (ev): -12.3099 -12.3099 -12.2988 -12.2988 -11.3062 -11.3062 -11.2776 -11.2776 -11.1942 -11.1942 -0.7075 -0.7075 15.2702 15.2702 16.5103 16.5103 16.9569 16.9569 20.3802 20.3802 20.4373 20.4373 k = 0.0000 0.0000 0.0935 ( 1121 PWs) bands (ev): -12.3090 -12.3090 -12.2986 -12.2986 -11.3053 -11.3053 -11.2771 -11.2771 -11.1948 -11.1948 -0.6842 -0.6842 15.2377 15.2377 16.4067 16.4067 16.8459 16.8459 20.2355 20.2355 20.4381 20.4381 k = 0.0000 0.0000 0.1052 ( 1117 PWs) bands (ev): -12.3081 -12.3081 -12.2983 -12.2983 -11.3042 -11.3042 -11.2766 -11.2766 -11.1956 -11.1956 -0.6577 -0.6577 15.1996 15.1996 16.2958 16.2958 16.7292 16.7292 20.0789 20.0789 20.4517 20.4517 k = 0.0000 0.0000 0.1169 ( 1117 PWs) bands (ev): -12.3071 -12.3071 -12.2980 -12.2980 -11.3031 -11.3031 -11.2760 -11.2760 -11.1964 -11.1964 -0.6282 -0.6282 15.1551 15.1551 16.1794 16.1794 16.6079 16.6079 19.9226 19.9226 20.4450 20.4450 k = 0.0000 0.0000 0.1286 ( 1119 PWs) bands (ev): -12.3059 -12.3059 -12.2977 -12.2977 -11.3018 -11.3018 -11.2754 -11.2754 -11.1972 -11.1972 -0.5955 -0.5955 15.1038 15.1038 16.0593 16.0593 16.4831 16.4831 19.7677 19.7677 20.3682 20.3682 k = 0.0000 0.0000 0.1403 ( 1119 PWs) bands (ev): -12.3047 -12.3047 -12.2973 -12.2973 -11.3004 -11.3004 -11.2746 -11.2746 -11.1982 -11.1982 -0.5598 -0.5598 15.0449 15.0449 15.9374 15.9374 16.3555 16.3555 19.6148 19.6148 20.2865 20.2865 k = 0.0000 0.0000 0.1520 ( 1119 PWs) bands (ev): -12.3034 -12.3034 -12.2969 -12.2969 -11.2990 -11.2990 -11.2738 -11.2738 -11.1992 -11.1992 -0.5209 -0.5209 14.9778 14.9778 15.8153 15.8153 16.2260 16.2260 19.4639 19.4639 20.2117 20.2117 k = 0.0000 0.0000 0.1637 ( 1123 PWs) bands (ev): -12.3021 -12.3021 -12.2965 -12.2965 -11.2974 -11.2974 -11.2730 -11.2730 -11.2003 -11.2003 -0.4789 -0.4789 14.9019 14.9019 15.6944 15.6944 16.0952 16.0952 19.3154 19.3154 20.1451 20.1451 k = 0.0000 0.0000 0.1754 ( 1127 PWs) bands (ev): -12.3006 -12.3006 -12.2961 -12.2961 -11.2957 -11.2957 -11.2720 -11.2720 -11.2015 -11.2015 -0.4338 -0.4338 14.8169 14.8169 15.5757 15.5757 15.9637 15.9637 19.1693 19.1693 20.0869 20.0869 k = 0.0000 0.0000 0.1871 ( 1127 PWs) bands (ev): -12.2991 -12.2991 -12.2957 -12.2957 -11.2939 -11.2939 -11.2710 -11.2710 -11.2028 -11.2028 -0.3855 -0.3855 14.7226 14.7226 15.4597 15.4597 15.8320 15.8320 19.0256 19.0256 20.0375 20.0375 k = 0.0000 0.0000 0.1988 ( 1123 PWs) bands (ev): -12.2976 -12.2976 -12.2952 -12.2952 -11.2920 -11.2920 -11.2699 -11.2699 -11.2041 -11.2041 -0.3342 -0.3342 14.6196 14.6196 15.3465 15.3465 15.7009 15.7009 18.8845 18.8845 19.9969 19.9969 k = 0.0000 0.0000 0.2105 ( 1123 PWs) bands (ev): -12.2960 -12.2960 -12.2947 -12.2947 -11.2900 -11.2900 -11.2687 -11.2687 -11.2055 -11.2055 -0.2797 -0.2797 14.5085 14.5085 15.2355 15.2355 15.5710 15.5710 18.7460 18.7460 19.9651 19.9651 k = 0.0000 0.0000 0.2222 ( 1123 PWs) bands (ev): -12.2946 -12.2946 -12.2939 -12.2939 -11.2880 -11.2880 -11.2675 -11.2675 -11.2069 -11.2069 -0.2221 -0.2221 14.3905 14.3905 15.1256 15.1256 15.4431 15.4431 18.6102 18.6102 19.9419 19.9419 k = 0.0000 0.0000 0.2339 ( 1123 PWs) bands (ev): -12.2939 -12.2939 -12.2925 -12.2925 -11.2859 -11.2859 -11.2661 -11.2661 -11.2084 -11.2084 -0.1614 -0.1614 14.2669 14.2669 15.0155 15.0155 15.3179 15.3179 18.4769 18.4769 19.9274 19.9274 k = 0.0000 0.0000 0.2455 ( 1123 PWs) bands (ev): -12.2933 -12.2933 -12.2908 -12.2908 -11.2838 -11.2838 -11.2646 -11.2646 -11.2099 -11.2099 -0.0976 -0.0976 14.1388 14.1388 14.9040 14.9040 15.1962 15.1962 18.3463 18.3463 19.9213 19.9213 k = 0.0000 0.0000 0.2572 ( 1123 PWs) bands (ev): -12.2928 -12.2928 -12.2891 -12.2891 -11.2817 -11.2817 -11.2630 -11.2630 -11.2115 -11.2115 -0.0307 -0.0307 14.0075 14.0075 14.7898 14.7898 15.0787 15.0787 18.2184 18.2184 19.9235 19.9235 k = 0.0000 0.0000 0.2689 ( 1123 PWs) bands (ev): -12.2922 -12.2922 -12.2873 -12.2873 -11.2796 -11.2796 -11.2612 -11.2612 -11.2131 -11.2131 0.0393 0.0393 13.8740 13.8740 14.6724 14.6724 14.9654 14.9654 18.0932 18.0932 19.9338 19.9338 k = 0.0000 0.0000 0.2806 ( 1119 PWs) bands (ev): -12.2917 -12.2917 -12.2855 -12.2855 -11.2775 -11.2775 -11.2593 -11.2593 -11.2147 -11.2147 0.1125 0.1125 13.7392 13.7392 14.5515 14.5515 14.8564 14.8564 17.9707 17.9707 19.9518 19.9518 k = 0.0000 0.0000 0.2923 ( 1119 PWs) bands (ev): -12.2912 -12.2912 -12.2837 -12.2837 -11.2754 -11.2754 -11.2572 -11.2572 -11.2164 -11.2164 0.1887 0.1887 13.6037 13.6037 14.4274 14.4274 14.7511 14.7511 17.8509 17.8509 19.9773 19.9773 k = 0.0000 0.0000 0.3040 ( 1119 PWs) bands (ev): -12.2906 -12.2906 -12.2819 -12.2819 -11.2734 -11.2734 -11.2550 -11.2550 -11.2181 -11.2181 0.2681 0.2681 13.4681 13.4681 14.3007 14.3007 14.6490 14.6490 17.7338 17.7338 20.0101 20.0101 k = 0.0000 0.0000 0.3157 ( 1123 PWs) bands (ev): -12.2901 -12.2901 -12.2802 -12.2802 -11.2714 -11.2714 -11.2526 -11.2526 -11.2197 -11.2197 0.3505 0.3505 13.3330 13.3330 14.1717 14.1717 14.5494 14.5494 17.6194 17.6194 20.0496 20.0496 k = 0.0000 0.0000 0.3274 ( 1123 PWs) bands (ev): -12.2895 -12.2895 -12.2784 -12.2784 -11.2696 -11.2696 -11.2500 -11.2500 -11.2214 -11.2214 0.4361 0.4361 13.1987 13.1987 14.0411 14.0411 14.4518 14.4518 17.5078 17.5078 20.0949 20.0949 k = 0.0000 0.0000 0.3391 ( 1123 PWs) bands (ev): -12.2890 -12.2890 -12.2767 -12.2767 -11.2678 -11.2678 -11.2473 -11.2473 -11.2230 -11.2230 0.5247 0.5247 13.0655 13.0655 13.9091 13.9091 14.3558 14.3558 17.3988 17.3988 20.1049 20.1049 k = 0.0000 0.0000 0.3508 ( 1127 PWs) bands (ev): -12.2885 -12.2885 -12.2750 -12.2750 -11.2661 -11.2661 -11.2446 -11.2446 -11.2244 -11.2244 0.6164 0.6164 12.9337 12.9337 13.7761 13.7761 14.2614 14.2614 17.2925 17.2925 19.8677 19.8677 k = 0.0000 0.0000 0.3625 ( 1131 PWs) bands (ev): -12.2879 -12.2879 -12.2733 -12.2733 -11.2645 -11.2645 -11.2419 -11.2419 -11.2257 -11.2257 0.7112 0.7112 12.8035 12.8035 13.6421 13.6421 14.1682 14.1682 17.1890 17.1890 19.6083 19.6083 k = 0.0000 0.0000 0.3742 ( 1131 PWs) bands (ev): -12.2874 -12.2874 -12.2716 -12.2716 -11.2630 -11.2630 -11.2394 -11.2394 -11.2265 -11.2265 0.8091 0.8091 12.6750 12.6750 13.5073 13.5073 14.0764 14.0764 17.0881 17.0881 19.3451 19.3451 k = 0.0000 0.0000 0.3859 ( 1131 PWs) bands (ev): -12.2869 -12.2869 -12.2700 -12.2700 -11.2616 -11.2616 -11.2376 -11.2376 -11.2264 -11.2264 0.9100 0.9100 12.5485 12.5485 13.3716 13.3716 13.9857 13.9857 16.9900 16.9900 19.0817 19.0817 k = 0.0000 0.0000 0.3976 ( 1137 PWs) bands (ev): -12.2864 -12.2864 -12.2685 -12.2685 -11.2604 -11.2604 -11.2369 -11.2369 -11.2251 -11.2251 1.0140 1.0140 12.4240 12.4240 13.2350 13.2350 13.8964 13.8964 16.8945 16.8945 18.8202 18.8202 k = 0.0000 0.0000 0.4092 ( 1141 PWs) bands (ev): -12.2859 -12.2859 -12.2670 -12.2670 -11.2593 -11.2593 -11.2372 -11.2372 -11.2227 -11.2227 1.1210 1.1210 12.3017 12.3017 13.0974 13.0974 13.8084 13.8084 16.8017 16.8017 18.5620 18.5620 k = 0.0000 0.0000 0.4209 ( 1141 PWs) bands (ev): -12.2854 -12.2854 -12.2655 -12.2655 -11.2583 -11.2583 -11.2378 -11.2378 -11.2195 -11.2195 1.2310 1.2310 12.1815 12.1815 12.9588 12.9588 13.7219 13.7219 16.7117 16.7117 18.3081 18.3081 k = 0.0000 0.0000 0.4326 ( 1143 PWs) bands (ev): -12.2850 -12.2850 -12.2641 -12.2641 -11.2576 -11.2576 -11.2386 -11.2386 -11.2160 -11.2160 1.3441 1.3441 12.0636 12.0636 12.8190 12.8190 13.6369 13.6369 16.6243 16.6243 18.0592 18.0592 k = 0.0000 0.0000 0.4443 ( 1139 PWs) bands (ev): -12.2845 -12.2845 -12.2628 -12.2628 -11.2571 -11.2571 -11.2393 -11.2393 -11.2123 -11.2123 1.4601 1.4601 11.9478 11.9478 12.6779 12.6779 13.5535 13.5535 16.5396 16.5396 17.8162 17.8162 k = 0.0000 0.0000 0.4560 ( 1139 PWs) bands (ev): -12.2841 -12.2841 -12.2615 -12.2615 -11.2570 -11.2570 -11.2397 -11.2397 -11.2085 -11.2085 1.5791 1.5791 11.8342 11.8342 12.5355 12.5355 13.4718 13.4718 16.4575 16.4575 17.5793 17.5793 k = 0.0000 0.0000 0.4677 ( 1139 PWs) bands (ev): -12.2836 -12.2836 -12.2603 -12.2603 -11.2572 -11.2572 -11.2399 -11.2399 -11.2045 -11.2045 1.7011 1.7011 11.7227 11.7227 12.3916 12.3916 13.3918 13.3918 16.3782 16.3782 17.3493 17.3493 k = 0.0000 0.0000 0.4794 ( 1135 PWs) bands (ev): -12.2832 -12.2832 -12.2592 -12.2592 -11.2577 -11.2577 -11.2398 -11.2398 -11.2005 -11.2005 1.8261 1.8261 11.6130 11.6130 12.2465 12.2465 13.3138 13.3138 16.3014 16.3014 17.1264 17.1264 k = 0.0000 0.0000 0.4911 ( 1131 PWs) bands (ev): -12.2828 -12.2828 -12.2581 -12.2581 -11.2586 -11.2586 -11.2394 -11.2394 -11.1965 -11.1965 1.9539 1.9539 11.5049 11.5049 12.1001 12.1001 13.2377 13.2377 16.2274 16.2274 16.9111 16.9111 k = 0.0000 0.0000 0.5028 ( 1131 PWs) bands (ev): -12.2824 -12.2824 -12.2570 -12.2570 -11.2596 -11.2596 -11.2388 -11.2388 -11.1924 -11.1924 2.0847 2.0847 11.3979 11.3979 11.9529 11.9529 13.1637 13.1637 16.1560 16.1560 16.7037 16.7037 k = 0.0000 0.0000 0.5145 ( 1128 PWs) bands (ev): -12.2821 -12.2821 -12.2561 -12.2561 -11.2608 -11.2608 -11.2380 -11.2380 -11.1883 -11.1883 2.2183 2.2183 11.2912 11.2912 11.8056 11.8056 13.0918 13.0918 16.0872 16.0872 16.5045 16.5045 k = 0.0000 0.0000 0.5262 ( 1124 PWs) bands (ev): -12.2817 -12.2817 -12.2552 -12.2552 -11.2621 -11.2621 -11.2371 -11.2371 -11.1843 -11.1843 2.3547 2.3547 11.1836 11.1836 11.6591 11.6591 13.0220 13.0220 16.0211 16.0211 16.3137 16.3137 k = 0.0000 0.0000 0.5379 ( 1124 PWs) bands (ev): -12.2814 -12.2814 -12.2544 -12.2544 -11.2635 -11.2635 -11.2362 -11.2362 -11.1802 -11.1802 2.4940 2.4940 11.0734 11.0734 11.5153 11.5153 12.9546 12.9546 15.9575 15.9575 16.1317 16.1317 k = 0.0000 0.0000 0.5496 ( 1124 PWs) bands (ev): -12.2810 -12.2810 -12.2536 -12.2536 -11.2650 -11.2650 -11.2352 -11.2352 -11.1763 -11.1763 2.6360 2.6360 10.9582 10.9582 11.3765 11.3765 12.8895 12.8895 15.8962 15.8962 15.9588 15.9588 k = 0.0000 0.0000 0.5613 ( 1126 PWs) bands (ev): -12.2807 -12.2807 -12.2529 -12.2529 -11.2664 -11.2664 -11.2342 -11.2342 -11.1723 -11.1723 2.7808 2.7808 10.8352 10.8352 11.2456 11.2456 12.8267 12.8267 15.7926 15.7926 15.8397 15.8397 k = 0.0000 0.0000 0.5729 ( 1126 PWs) bands (ev): -12.2805 -12.2805 -12.2523 -12.2523 -11.2679 -11.2679 -11.2331 -11.2331 -11.1685 -11.1685 2.9282 2.9282 10.7018 10.7018 11.1252 11.1252 12.7664 12.7664 15.6376 15.6376 15.7835 15.7835 k = 0.0000 0.0000 0.5846 ( 1126 PWs) bands (ev): -12.2802 -12.2802 -12.2517 -12.2517 -11.2693 -11.2693 -11.2321 -11.2321 -11.1647 -11.1647 3.0783 3.0783 10.5568 10.5568 11.0165 11.0165 12.7086 12.7086 15.4910 15.4910 15.7304 15.7304 k = 0.0000 0.0000 0.5963 ( 1126 PWs) bands (ev): -12.2799 -12.2799 -12.2511 -12.2511 -11.2707 -11.2707 -11.2311 -11.2311 -11.1610 -11.1610 3.2310 3.2310 10.4010 10.4010 10.9193 10.9193 12.6534 12.6534 15.3532 15.3532 15.6800 15.6800 k = 0.0000 0.0000 0.6080 ( 1126 PWs) bands (ev): -12.2797 -12.2797 -12.2507 -12.2507 -11.2720 -11.2720 -11.2301 -11.2301 -11.1574 -11.1574 3.3861 3.3861 10.2360 10.2360 10.8319 10.8319 12.6007 12.6007 15.2241 15.2241 15.6322 15.6322 k = 0.0000 0.0000 0.6197 ( 1128 PWs) bands (ev): -12.2795 -12.2795 -12.2502 -12.2502 -11.2733 -11.2733 -11.2292 -11.2292 -11.1540 -11.1540 3.5438 3.5438 10.0636 10.0636 10.7528 10.7528 12.5507 12.5507 15.1035 15.1035 15.5871 15.5871 k = 0.0000 0.0000 0.6314 ( 1124 PWs) bands (ev): -12.2793 -12.2793 -12.2498 -12.2498 -11.2746 -11.2746 -11.2283 -11.2283 -11.1507 -11.1507 3.7037 3.7037 9.8854 9.8854 10.6808 10.6808 12.5034 12.5034 14.9914 14.9914 15.5446 15.5446 k = 0.0000 0.0000 0.6431 ( 1128 PWs) bands (ev): -12.2791 -12.2791 -12.2495 -12.2495 -11.2758 -11.2758 -11.2274 -11.2274 -11.1475 -11.1475 3.8659 3.8659 9.7028 9.7028 10.6148 10.6148 12.4587 12.4587 14.8875 14.8875 15.5046 15.5046 k = 0.0000 0.0000 0.6548 ( 1126 PWs) bands (ev): -12.2789 -12.2789 -12.2492 -12.2492 -11.2770 -11.2770 -11.2265 -11.2265 -11.1444 -11.1444 4.0302 4.0302 9.5167 9.5167 10.5543 10.5543 12.4168 12.4168 14.7916 14.7916 15.4673 15.4673 k = 0.0000 0.0000 0.6665 ( 1126 PWs) bands (ev): -12.2787 -12.2787 -12.2489 -12.2489 -11.2780 -11.2780 -11.2257 -11.2257 -11.1415 -11.1415 4.1966 4.1966 9.3280 9.3280 10.4987 10.4987 12.3776 12.3776 14.7036 14.7036 15.4326 15.4326 k = 0.0000 0.0000 0.6782 ( 1126 PWs) bands (ev): -12.2786 -12.2786 -12.2487 -12.2487 -11.2790 -11.2790 -11.2250 -11.2250 -11.1388 -11.1388 4.3647 4.3647 9.1375 9.1375 10.4477 10.4477 12.3413 12.3413 14.6230 14.6230 15.4004 15.4004 k = 0.0000 0.0000 0.6899 ( 1124 PWs) bands (ev): -12.2784 -12.2784 -12.2485 -12.2485 -11.2800 -11.2800 -11.2243 -11.2243 -11.1363 -11.1363 4.5343 4.5343 8.9459 8.9459 10.4012 10.4012 12.3078 12.3078 14.5499 14.5499 15.3708 15.3708 k = 0.0000 0.0000 0.7016 ( 1118 PWs) bands (ev): -12.2783 -12.2783 -12.2483 -12.2483 -11.2808 -11.2808 -11.2236 -11.2236 -11.1340 -11.1340 4.7053 4.7053 8.7538 8.7538 10.3590 10.3590 12.2771 12.2771 14.4839 14.4839 15.3439 15.3439 k = 0.0000 0.0000 0.7133 ( 1118 PWs) bands (ev): -12.2782 -12.2782 -12.2481 -12.2481 -11.2816 -11.2816 -11.2230 -11.2230 -11.1318 -11.1318 4.8771 4.8771 8.5619 8.5619 10.3210 10.3210 12.2493 12.2493 14.4248 14.4248 15.3194 15.3194 k = 0.0000 0.0000 0.7250 ( 1118 PWs) bands (ev): -12.2781 -12.2781 -12.2480 -12.2480 -11.2823 -11.2823 -11.2225 -11.2225 -11.1299 -11.1299 5.0492 5.0492 8.3711 8.3711 10.2871 10.2871 12.2243 12.2243 14.3724 14.3724 15.2976 15.2976 k = 0.0000 0.0000 0.7366 ( 1116 PWs) bands (ev): -12.2780 -12.2780 -12.2479 -12.2479 -11.2830 -11.2830 -11.2220 -11.2220 -11.1282 -11.1282 5.2209 5.2209 8.1825 8.1825 10.2573 10.2573 12.2023 12.2023 14.3267 14.3267 15.2783 15.2783 k = 0.0000 0.0000 0.7483 ( 1116 PWs) bands (ev): -12.2779 -12.2779 -12.2478 -12.2478 -11.2835 -11.2835 -11.2216 -11.2216 -11.1267 -11.1267 5.3909 5.3909 7.9973 7.9973 10.2315 10.2315 12.1832 12.1832 14.2873 14.2873 15.2616 15.2616 k = 0.0000 0.0000 0.7600 ( 1116 PWs) bands (ev): -12.2779 -12.2779 -12.2477 -12.2477 -11.2840 -11.2840 -11.2213 -11.2213 -11.1254 -11.1254 5.5574 5.5574 7.8178 7.8178 10.2097 10.2097 12.1670 12.1670 14.2543 14.2543 15.2475 15.2475 k = 0.0000 0.0000 0.7717 ( 1112 PWs) bands (ev): -12.2778 -12.2778 -12.2477 -12.2477 -11.2844 -11.2844 -11.2210 -11.2210 -11.1243 -11.1243 5.7173 5.7173 7.6470 7.6470 10.1918 10.1918 12.1537 12.1537 14.2274 14.2274 15.2360 15.2360 k = 0.0000 0.0000 0.7834 ( 1114 PWs) bands (ev): -12.2778 -12.2778 -12.2476 -12.2476 -11.2847 -11.2847 -11.2207 -11.2207 -11.1235 -11.1235 5.8651 5.8651 7.4905 7.4905 10.1780 10.1780 12.1434 12.1434 14.2066 14.2066 15.2270 15.2270 k = 0.0000 0.0000 0.7951 ( 1122 PWs) bands (ev): -12.2777 -12.2777 -12.2476 -12.2476 -11.2849 -11.2849 -11.2206 -11.2206 -11.1229 -11.1229 5.9916 5.9916 7.3579 7.3579 10.1681 10.1681 12.1360 12.1360 14.1917 14.1917 15.2206 15.2206 k = 0.0000 0.0000 0.8068 ( 1122 PWs) bands (ev): -12.2777 -12.2777 -12.2476 -12.2476 -11.2850 -11.2850 -11.2205 -11.2205 -11.1225 -11.1225 6.0811 6.0811 7.2646 7.2646 10.1622 10.1622 12.1315 12.1315 14.1829 14.1829 15.2167 15.2167 k = 0.0000 0.0000 0.8185 ( 1126 PWs) bands (ev): -12.2777 -12.2777 -12.2476 -12.2476 -11.2851 -11.2851 -11.2204 -11.2204 -11.1224 -11.1224 6.1143 6.1143 7.2301 7.2301 10.1602 10.1602 12.1301 12.1301 14.1799 14.1799 15.2154 15.2154 k = 0.0000 0.0000 0.8185 ( 1126 PWs) bands (ev): -12.2777 -12.2777 -12.2476 -12.2476 -11.2851 -11.2851 -11.2204 -11.2204 -11.1224 -11.1224 6.1143 6.1143 7.2301 7.2301 10.1602 10.1602 12.1301 12.1301 14.1799 14.1799 15.2154 15.2154 k =-0.0071 0.0092 0.8185 ( 1122 PWs) bands (ev): -12.2777 -12.2777 -12.2476 -12.2476 -11.2850 -11.2850 -11.2205 -11.2205 -11.1225 -11.1225 6.1126 6.1126 7.2319 7.2319 10.1552 10.1552 12.1164 12.1164 14.1912 14.1912 15.2316 15.2316 k =-0.0142 0.0184 0.8185 ( 1122 PWs) bands (ev): -12.2777 -12.2777 -12.2476 -12.2476 -11.2848 -11.2848 -11.2206 -11.2206 -11.1229 -11.1229 6.1076 6.1076 7.2374 7.2374 10.1402 10.1402 12.0763 12.0763 14.2247 14.2247 15.2794 15.2794 k =-0.0213 0.0276 0.8185 ( 1122 PWs) bands (ev): -12.2776 -12.2776 -12.2476 -12.2476 -11.2845 -11.2845 -11.2207 -11.2207 -11.1235 -11.1235 6.0991 6.0991 7.2464 7.2464 10.1161 10.1161 12.0120 12.0120 14.2797 14.2797 15.3565 15.3565 k =-0.0283 0.0367 0.8185 ( 1118 PWs) bands (ev): -12.2776 -12.2776 -12.2476 -12.2476 -11.2840 -11.2840 -11.2209 -11.2209 -11.1243 -11.1243 6.0872 6.0872 7.2590 7.2590 10.0839 10.0839 11.9268 11.9268 14.3552 14.3552 15.4596 15.4596 k =-0.0354 0.0459 0.8185 ( 1120 PWs) bands (ev): -12.2775 -12.2775 -12.2477 -12.2477 -11.2834 -11.2834 -11.2212 -11.2212 -11.1254 -11.1254 6.0717 6.0717 7.2753 7.2753 10.0449 10.0449 11.8243 11.8243 14.4497 14.4497 15.5854 15.5854 k =-0.0425 0.0551 0.8185 ( 1120 PWs) bands (ev): -12.2773 -12.2773 -12.2477 -12.2477 -11.2827 -11.2827 -11.2215 -11.2215 -11.1266 -11.1266 6.0525 6.0525 7.2951 7.2951 10.0007 10.0007 11.7080 11.7080 14.5619 14.5619 15.7303 15.7303 k =-0.0496 0.0643 0.8185 ( 1114 PWs) bands (ev): -12.2772 -12.2772 -12.2477 -12.2477 -11.2819 -11.2819 -11.2219 -11.2219 -11.1281 -11.1281 6.0296 6.0296 7.3185 7.3185 9.9529 9.9529 11.5808 11.5808 14.6902 14.6902 15.8914 15.8914 k =-0.0567 0.0735 0.8185 ( 1114 PWs) bands (ev): -12.2771 -12.2771 -12.2478 -12.2478 -11.2809 -11.2809 -11.2223 -11.2223 -11.1298 -11.1298 6.0028 6.0028 7.3455 7.3455 9.9030 9.9030 11.4454 11.4454 14.8332 14.8332 16.0660 16.0660 k =-0.0638 0.0827 0.8185 ( 1106 PWs) bands (ev): -12.2769 -12.2769 -12.2479 -12.2479 -11.2798 -11.2798 -11.2228 -11.2228 -11.1317 -11.1317 5.9721 5.9721 7.3760 7.3760 9.8525 9.8525 11.3039 11.3039 14.9896 14.9896 16.2522 16.2522 k =-0.0709 0.0919 0.8185 ( 1114 PWs) bands (ev): -12.2767 -12.2767 -12.2480 -12.2480 -11.2786 -11.2786 -11.2233 -11.2233 -11.1339 -11.1339 5.9373 5.9373 7.4100 7.4100 9.8025 9.8025 11.1579 11.1579 15.1579 15.1579 16.4482 16.4482 k =-0.0780 0.1010 0.8185 ( 1114 PWs) bands (ev): -12.2765 -12.2765 -12.2481 -12.2481 -11.2773 -11.2773 -11.2239 -11.2239 -11.1362 -11.1362 5.8983 5.8983 7.4476 7.4476 9.7544 9.7544 11.0089 11.0089 15.3371 15.3371 16.6527 16.6527 k =-0.0850 0.1102 0.8185 ( 1114 PWs) bands (ev): -12.2763 -12.2763 -12.2482 -12.2482 -11.2759 -11.2759 -11.2245 -11.2245 -11.1386 -11.1386 5.8551 5.8551 7.4886 7.4886 9.7091 9.7091 10.8580 10.8580 15.5263 15.5263 16.8646 16.8646 k =-0.0921 0.1194 0.8185 ( 1118 PWs) bands (ev): -12.2761 -12.2761 -12.2484 -12.2484 -11.2743 -11.2743 -11.2252 -11.2252 -11.1413 -11.1413 5.8078 5.8078 7.5331 7.5331 9.6673 9.6673 10.7062 10.7062 15.7245 15.7245 17.0831 17.0831 k =-0.0992 0.1286 0.8185 ( 1118 PWs) bands (ev): -12.2758 -12.2758 -12.2486 -12.2486 -11.2727 -11.2727 -11.2260 -11.2260 -11.1441 -11.1441 5.7564 5.7564 7.5810 7.5810 9.6298 9.6298 10.5542 10.5542 15.9309 15.9309 17.3074 17.3074 k =-0.1063 0.1378 0.8185 ( 1118 PWs) bands (ev): -12.2756 -12.2756 -12.2488 -12.2488 -11.2709 -11.2709 -11.2268 -11.2268 -11.1471 -11.1471 5.7008 5.7008 7.6323 7.6323 9.5967 9.5967 10.4028 10.4028 16.1448 16.1448 17.5371 17.5371 k =-0.1134 0.1470 0.8185 ( 1122 PWs) bands (ev): -12.2753 -12.2753 -12.2490 -12.2490 -11.2691 -11.2691 -11.2276 -11.2276 -11.1502 -11.1502 5.6414 5.6414 7.6869 7.6869 9.5682 9.5682 10.2530 10.2530 16.3657 16.3657 17.7716 17.7716 k =-0.1205 0.1562 0.8185 ( 1124 PWs) bands (ev): -12.2751 -12.2751 -12.2493 -12.2493 -11.2671 -11.2671 -11.2284 -11.2284 -11.1534 -11.1534 5.5782 5.5782 7.7449 7.7449 9.5439 9.5439 10.1058 10.1058 16.5929 16.5929 18.0106 18.0106 k =-0.1276 0.1653 0.8185 ( 1124 PWs) bands (ev): -12.2748 -12.2748 -12.2496 -12.2496 -11.2651 -11.2651 -11.2293 -11.2293 -11.1567 -11.1567 5.5114 5.5114 7.8060 7.8060 9.5223 9.5223 9.9632 9.9632 16.8260 16.8260 18.2538 18.2538 k =-0.1347 0.1745 0.8185 ( 1124 PWs) bands (ev): -12.2746 -12.2746 -12.2500 -12.2500 -11.2630 -11.2630 -11.2303 -11.2303 -11.1602 -11.1602 5.4414 5.4414 7.8703 7.8703 9.4993 9.4993 9.8299 9.8299 17.0646 17.0646 18.5010 18.5010 k =-0.1417 0.1837 0.8185 ( 1124 PWs) bands (ev): -12.2743 -12.2743 -12.2505 -12.2505 -11.2608 -11.2608 -11.2312 -11.2312 -11.1637 -11.1637 5.3684 5.3684 7.9375 7.9375 9.4636 9.4636 9.7175 9.7175 17.3083 17.3083 18.7519 18.7519 k =-0.1488 0.1929 0.8185 ( 1124 PWs) bands (ev): -12.2740 -12.2740 -12.2509 -12.2509 -11.2585 -11.2585 -11.2322 -11.2322 -11.1673 -11.1673 5.2927 5.2927 8.0076 8.0076 9.3946 9.3946 9.6469 9.6469 17.5567 17.5567 19.0063 19.0063 k =-0.1488 0.1929 0.8185 ( 1124 PWs) bands (ev): -12.2740 -12.2740 -12.2509 -12.2509 -11.2585 -11.2585 -11.2322 -11.2322 -11.1673 -11.1673 5.2927 5.2927 8.0076 8.0076 9.3946 9.3946 9.6469 9.6469 17.5567 17.5567 19.0063 19.0063 k =-0.1539 0.1994 0.8103 ( 1124 PWs) bands (ev): -12.2738 -12.2738 -12.2513 -12.2513 -11.2569 -11.2569 -11.2329 -11.2329 -11.1699 -11.1699 5.2355 5.2355 8.0523 8.0523 9.3249 9.3249 9.6347 9.6347 17.7359 17.7359 19.1890 19.1890 k =-0.1589 0.2059 0.8021 ( 1124 PWs) bands (ev): -12.2737 -12.2737 -12.2517 -12.2517 -11.2554 -11.2554 -11.2336 -11.2336 -11.1725 -11.1725 5.1737 5.1737 8.0826 8.0826 9.2449 9.2449 9.6620 9.6620 17.9187 17.9187 19.3745 19.3745 k =-0.1639 0.2124 0.7939 ( 1122 PWs) bands (ev): -12.2736 -12.2736 -12.2521 -12.2521 -11.2539 -11.2539 -11.2343 -11.2343 -11.1751 -11.1751 5.1088 5.1088 8.0964 8.0964 9.1596 9.1596 9.7248 9.7248 18.1048 18.1048 19.5627 19.5627 k =-0.1689 0.2189 0.7856 ( 1122 PWs) bands (ev): -12.2736 -12.2736 -12.2525 -12.2525 -11.2525 -11.2525 -11.2349 -11.2349 -11.1776 -11.1776 5.0420 5.0420 8.0939 8.0939 9.0724 9.0724 9.8184 9.8184 18.2940 18.2940 19.7534 19.7534 k =-0.1739 0.2254 0.7774 ( 1116 PWs) bands (ev): -12.2736 -12.2736 -12.2529 -12.2529 -11.2514 -11.2514 -11.2354 -11.2354 -11.1801 -11.1801 4.9741 4.9741 8.0770 8.0770 8.9853 8.9853 9.9380 9.9380 18.4861 18.4861 19.9468 19.9468 k =-0.1789 0.2319 0.7692 ( 1118 PWs) bands (ev): -12.2737 -12.2737 -12.2533 -12.2533 -11.2506 -11.2506 -11.2356 -11.2356 -11.1824 -11.1824 4.9060 4.9060 8.0486 8.0486 8.8994 8.8994 10.0791 10.0791 18.6807 18.6807 20.1425 20.1425 k =-0.1840 0.2384 0.7610 ( 1114 PWs) bands (ev): -12.2739 -12.2739 -12.2537 -12.2537 -11.2503 -11.2503 -11.2354 -11.2354 -11.1847 -11.1847 4.8381 4.8381 8.0114 8.0114 8.8152 8.8152 10.2378 10.2378 18.8776 18.8776 20.3406 20.3406 k =-0.1890 0.2449 0.7528 ( 1109 PWs) bands (ev): -12.2742 -12.2742 -12.2540 -12.2540 -11.2505 -11.2505 -11.2349 -11.2349 -11.1868 -11.1868 4.7710 4.7710 7.9680 7.9680 8.7331 8.7331 10.4108 10.4108 19.0764 19.0764 20.5410 20.5410 k =-0.1940 0.2514 0.7446 ( 1111 PWs) bands (ev): -12.2746 -12.2746 -12.2543 -12.2543 -11.2511 -11.2511 -11.2340 -11.2340 -11.1888 -11.1888 4.7050 4.7050 7.9203 7.9203 8.6533 8.6533 10.5956 10.5956 19.2765 19.2765 20.7435 20.7435 k =-0.1990 0.2579 0.7364 ( 1109 PWs) bands (ev): -12.2750 -12.2750 -12.2546 -12.2546 -11.2521 -11.2521 -11.2329 -11.2329 -11.1906 -11.1906 4.6404 4.6404 7.8699 7.8699 8.5760 8.5760 10.7901 10.7901 19.4775 19.4775 20.9480 20.9480 k =-0.2040 0.2644 0.7282 ( 1109 PWs) bands (ev): -12.2756 -12.2756 -12.2548 -12.2548 -11.2534 -11.2534 -11.2316 -11.2316 -11.1922 -11.1922 4.5775 4.5775 7.8179 7.8179 8.5013 8.5013 10.9928 10.9928 19.6787 19.6787 21.1543 21.1543 k =-0.2090 0.2709 0.7199 ( 1109 PWs) bands (ev): -12.2763 -12.2763 -12.2550 -12.2550 -11.2550 -11.2550 -11.2303 -11.2303 -11.1935 -11.1935 4.5165 4.5165 7.7653 7.7653 8.4292 8.4292 11.2025 11.2025 19.8791 19.8791 21.3623 21.3623 k =-0.2141 0.2774 0.7117 ( 1113 PWs) bands (ev): -12.2771 -12.2771 -12.2551 -12.2551 -11.2566 -11.2566 -11.2290 -11.2290 -11.1947 -11.1947 4.4576 4.4576 7.7128 7.7128 8.3600 8.3600 11.4183 11.4183 20.0775 20.0775 21.5717 21.5717 k =-0.2191 0.2839 0.7035 ( 1109 PWs) bands (ev): -12.2779 -12.2779 -12.2552 -12.2552 -11.2584 -11.2584 -11.2277 -11.2277 -11.1956 -11.1956 4.4008 4.4008 7.6608 7.6608 8.2935 8.2935 11.6392 11.6392 20.2721 20.2721 21.7823 21.7823 k =-0.2241 0.2904 0.6953 ( 1111 PWs) bands (ev): -12.2789 -12.2789 -12.2552 -12.2552 -11.2602 -11.2602 -11.2266 -11.2266 -11.1963 -11.1963 4.3463 4.3463 7.6099 7.6099 8.2299 8.2299 11.8648 11.8648 20.4606 20.4606 21.9936 21.9936 k =-0.2291 0.2969 0.6871 ( 1113 PWs) bands (ev): -12.2799 -12.2799 -12.2552 -12.2552 -11.2621 -11.2621 -11.2256 -11.2256 -11.1967 -11.1967 4.2941 4.2941 7.5603 7.5603 8.1692 8.1692 12.0943 12.0943 20.6394 20.6394 22.2052 22.2052 k =-0.2341 0.3034 0.6789 ( 1109 PWs) bands (ev): -12.2809 -12.2809 -12.2552 -12.2552 -11.2640 -11.2640 -11.2247 -11.2247 -11.1969 -11.1969 4.2444 4.2444 7.5123 7.5123 8.1114 8.1114 12.3274 12.3274 20.8036 20.8036 22.4166 22.4166 k =-0.2391 0.3099 0.6707 ( 1109 PWs) bands (ev): -12.2821 -12.2821 -12.2551 -12.2551 -11.2658 -11.2658 -11.2241 -11.2241 -11.1968 -11.1968 4.1972 4.1972 7.4662 7.4662 8.0566 8.0566 12.5635 12.5635 20.9460 20.9460 22.6267 22.6267 k =-0.2442 0.3164 0.6625 ( 1109 PWs) bands (ev): -12.2832 -12.2832 -12.2550 -12.2550 -11.2676 -11.2676 -11.2236 -11.2236 -11.1965 -11.1965 4.1526 4.1526 7.4221 7.4221 8.0049 8.0049 12.8021 12.8021 21.0569 21.0569 22.8343 22.8343 k =-0.2492 0.3229 0.6542 ( 1109 PWs) bands (ev): -12.2843 -12.2843 -12.2549 -12.2549 -11.2694 -11.2694 -11.2232 -11.2232 -11.1961 -11.1961 4.1105 4.1105 7.3802 7.3802 7.9561 7.9561 13.0428 13.0428 21.1244 21.1244 23.0373 23.0373 k =-0.2542 0.3294 0.6460 ( 1113 PWs) bands (ev): -12.2855 -12.2855 -12.2548 -12.2548 -11.2711 -11.2711 -11.2230 -11.2230 -11.1954 -11.1954 4.0710 4.0710 7.3405 7.3405 7.9104 7.9104 13.2850 13.2850 21.1371 21.1371 23.2317 23.2317 k =-0.2592 0.3359 0.6378 ( 1115 PWs) bands (ev): -12.2866 -12.2866 -12.2547 -12.2547 -11.2727 -11.2727 -11.2229 -11.2229 -11.1947 -11.1947 4.0342 4.0342 7.3032 7.3032 7.8677 7.8677 13.5282 13.5282 21.0892 21.0892 23.4084 23.4084 k =-0.2642 0.3424 0.6296 ( 1115 PWs) bands (ev): -12.2877 -12.2877 -12.2546 -12.2546 -11.2743 -11.2743 -11.2229 -11.2229 -11.1939 -11.1939 4.0001 4.0001 7.2684 7.2684 7.8281 7.8281 13.7717 13.7717 20.9843 20.9843 23.5540 23.5540 k =-0.2692 0.3489 0.6214 ( 1115 PWs) bands (ev): -12.2888 -12.2888 -12.2545 -12.2545 -11.2757 -11.2757 -11.2230 -11.2230 -11.1930 -11.1930 3.9687 3.9687 7.2362 7.2362 7.7917 7.7917 14.0147 14.0147 20.8329 20.8329 23.6833 23.6833 k =-0.2743 0.3554 0.6132 ( 1115 PWs) bands (ev): -12.2898 -12.2898 -12.2543 -12.2543 -11.2770 -11.2770 -11.2231 -11.2231 -11.1922 -11.1922 3.9399 3.9399 7.2066 7.2066 7.7583 7.7583 14.2561 14.2561 20.6486 20.6486 23.8196 23.8196 k =-0.2793 0.3619 0.6050 ( 1115 PWs) bands (ev): -12.2908 -12.2908 -12.2542 -12.2542 -11.2782 -11.2782 -11.2232 -11.2232 -11.1913 -11.1913 3.9139 3.9139 7.1797 7.1797 7.7281 7.7281 14.4948 14.4948 20.4433 20.4433 23.9594 23.9594 k =-0.2843 0.3684 0.5968 ( 1116 PWs) bands (ev): -12.2917 -12.2917 -12.2541 -12.2541 -11.2793 -11.2793 -11.2234 -11.2234 -11.1905 -11.1905 3.8906 3.8906 7.1555 7.1555 7.7010 7.7010 14.7290 14.7290 20.2268 20.2268 24.0878 24.0878 k =-0.2893 0.3749 0.5886 ( 1117 PWs) bands (ev): -12.2925 -12.2925 -12.2540 -12.2540 -11.2803 -11.2803 -11.2235 -11.2235 -11.1898 -11.1898 3.8700 3.8700 7.1341 7.1341 7.6771 7.6771 14.9564 14.9564 20.0072 20.0072 24.1930 24.1930 k =-0.2943 0.3814 0.5803 ( 1113 PWs) bands (ev): -12.2932 -12.2932 -12.2539 -12.2539 -11.2812 -11.2812 -11.2237 -11.2237 -11.1891 -11.1891 3.8521 3.8521 7.1154 7.1154 7.6564 7.6564 15.1742 15.1742 19.7913 19.7913 24.2730 24.2730 k =-0.2993 0.3879 0.5721 ( 1111 PWs) bands (ev): -12.2938 -12.2938 -12.2538 -12.2538 -11.2819 -11.2819 -11.2238 -11.2238 -11.1885 -11.1885 3.8370 3.8370 7.0996 7.0996 7.6388 7.6388 15.3782 15.3782 19.5857 19.5857 24.3312 24.3312 k =-0.3044 0.3945 0.5639 ( 1109 PWs) bands (ev): -12.2944 -12.2944 -12.2537 -12.2537 -11.2825 -11.2825 -11.2240 -11.2240 -11.1880 -11.1880 3.8247 3.8247 7.0866 7.0866 7.6245 7.6245 15.5629 15.5629 19.3979 19.3979 24.3725 24.3725 k =-0.3094 0.4010 0.5557 ( 1111 PWs) bands (ev): -12.2948 -12.2948 -12.2537 -12.2537 -11.2829 -11.2829 -11.2240 -11.2240 -11.1876 -11.1876 3.8151 3.8151 7.0765 7.0765 7.6133 7.6133 15.7212 15.7212 19.2361 19.2361 24.4007 24.4007 k =-0.3144 0.4075 0.5475 ( 1107 PWs) bands (ev): -12.2951 -12.2951 -12.2537 -12.2537 -11.2833 -11.2833 -11.2241 -11.2241 -11.1873 -11.1873 3.8082 3.8082 7.0693 7.0693 7.6053 7.6053 15.8445 15.8445 19.1098 19.1098 24.4190 24.4190 k =-0.3194 0.4140 0.5393 ( 1105 PWs) bands (ev): -12.2953 -12.2953 -12.2536 -12.2536 -11.2835 -11.2835 -11.2242 -11.2242 -11.1872 -11.1872 3.8041 3.8041 7.0649 7.0649 7.6005 7.6005 15.9235 15.9235 19.0288 19.0288 24.4292 24.4292 k =-0.3244 0.4205 0.5311 ( 1108 PWs) bands (ev): -12.2953 -12.2953 -12.2536 -12.2536 -11.2835 -11.2835 -11.2242 -11.2242 -11.1871 -11.1871 3.8027 3.8027 7.0635 7.0635 7.5989 7.5989 15.9508 15.9508 19.0008 19.0008 24.4325 24.4325 k =-0.3244 0.4205 0.5311 ( 1108 PWs) bands (ev): -12.2953 -12.2953 -12.2536 -12.2536 -11.2835 -11.2835 -11.2242 -11.2242 -11.1871 -11.1871 3.8027 3.8027 7.0635 7.0635 7.5989 7.5989 15.9508 15.9508 19.0008 19.0008 24.4325 24.4325 k =-0.3194 0.4140 0.5229 ( 1106 PWs) bands (ev): -12.2955 -12.2955 -12.2530 -12.2530 -11.2839 -11.2839 -11.2240 -11.2240 -11.1863 -11.1863 3.8225 3.8225 6.9595 6.9595 7.7006 7.7006 16.0482 16.0482 19.0856 19.0856 24.2298 24.2298 k =-0.3144 0.4075 0.5147 ( 1115 PWs) bands (ev): -12.2958 -12.2958 -12.2524 -12.2524 -11.2842 -11.2842 -11.2240 -11.2240 -11.1854 -11.1854 3.8314 3.8314 6.8676 6.8676 7.8100 7.8100 16.1468 16.1468 19.1728 19.1728 24.0290 24.0290 k =-0.3094 0.4011 0.5066 ( 1115 PWs) bands (ev): -12.2961 -12.2961 -12.2519 -12.2519 -11.2846 -11.2846 -11.2242 -11.2242 -11.1843 -11.1843 3.8280 3.8280 6.7923 6.7923 7.9243 7.9243 16.2465 16.2465 19.2623 19.2623 23.8306 23.8306 k =-0.3045 0.3946 0.4984 ( 1115 PWs) bands (ev): -12.2963 -12.2963 -12.2515 -12.2515 -11.2849 -11.2849 -11.2246 -11.2246 -11.1830 -11.1830 3.8109 3.8109 6.7359 6.7359 8.0425 8.0425 16.3470 16.3470 19.3542 19.3542 23.6346 23.6346 k =-0.2995 0.3881 0.4902 ( 1115 PWs) bands (ev): -12.2966 -12.2966 -12.2511 -12.2511 -11.2853 -11.2853 -11.2251 -11.2251 -11.1818 -11.1818 3.7795 3.7795 6.6996 6.6996 8.1640 8.1640 16.4483 16.4483 19.4483 19.4483 23.4410 23.4410 k =-0.2945 0.3816 0.4820 ( 1111 PWs) bands (ev): -12.2969 -12.2969 -12.2508 -12.2508 -11.2857 -11.2857 -11.2257 -11.2257 -11.1805 -11.1805 3.7335 3.7335 6.6839 6.6839 8.2886 8.2886 16.5500 16.5500 19.5446 19.5446 23.2500 23.2500 k =-0.2895 0.3752 0.4739 ( 1111 PWs) bands (ev): -12.2972 -12.2972 -12.2506 -12.2506 -11.2860 -11.2860 -11.2263 -11.2263 -11.1793 -11.1793 3.6734 3.6734 6.6884 6.6884 8.4160 8.4160 16.6518 16.6518 19.6431 19.6431 23.0616 23.0616 k =-0.2845 0.3687 0.4657 ( 1113 PWs) bands (ev): -12.2975 -12.2975 -12.2504 -12.2504 -11.2864 -11.2864 -11.2271 -11.2271 -11.1782 -11.1782 3.6003 3.6003 6.7122 6.7122 8.5463 8.5463 16.7535 16.7535 19.7436 19.7436 22.8758 22.8758 k =-0.2795 0.3622 0.4575 ( 1113 PWs) bands (ev): -12.2978 -12.2978 -12.2503 -12.2503 -11.2867 -11.2867 -11.2278 -11.2278 -11.1772 -11.1772 3.5156 3.5156 6.7540 6.7540 8.6793 8.6793 16.8548 16.8548 19.8462 19.8462 22.6929 22.6929 k =-0.2745 0.3558 0.4494 ( 1113 PWs) bands (ev): -12.2981 -12.2981 -12.2503 -12.2503 -11.2870 -11.2870 -11.2286 -11.2286 -11.1763 -11.1763 3.4209 3.4209 6.8123 6.8123 8.8150 8.8150 16.9553 16.9553 19.9507 19.9507 22.5127 22.5127 k =-0.2695 0.3493 0.4412 ( 1111 PWs) bands (ev): -12.2984 -12.2984 -12.2503 -12.2503 -11.2873 -11.2873 -11.2293 -11.2293 -11.1755 -11.1755 3.3178 3.3178 6.8852 6.8852 8.9532 8.9532 17.0546 17.0546 20.0569 20.0569 22.3355 22.3355 k =-0.2645 0.3428 0.4330 ( 1113 PWs) bands (ev): -12.2986 -12.2986 -12.2504 -12.2504 -11.2875 -11.2875 -11.2301 -11.2301 -11.1749 -11.1749 3.2081 3.2081 6.9714 6.9714 9.0940 9.0940 17.1523 17.1523 20.1646 20.1646 22.1613 22.1613 k =-0.2595 0.3364 0.4249 ( 1113 PWs) bands (ev): -12.2989 -12.2989 -12.2505 -12.2505 -11.2878 -11.2878 -11.2309 -11.2309 -11.1745 -11.1745 3.0931 3.0931 7.0693 7.0693 9.2372 9.2372 17.2480 17.2480 20.2737 20.2737 21.9902 21.9902 k =-0.2545 0.3299 0.4167 ( 1117 PWs) bands (ev): -12.2992 -12.2992 -12.2507 -12.2507 -11.2880 -11.2880 -11.2316 -11.2316 -11.1743 -11.1743 2.9742 2.9742 7.1778 7.1778 9.3829 9.3829 17.3412 17.3412 20.3838 20.3838 21.8222 21.8222 k =-0.2496 0.3234 0.4085 ( 1117 PWs) bands (ev): -12.2995 -12.2995 -12.2509 -12.2509 -11.2881 -11.2881 -11.2324 -11.2324 -11.1743 -11.1743 2.8523 2.8523 7.2956 7.2956 9.5310 9.5310 17.4313 17.4313 20.4945 20.4945 21.6577 21.6577 k =-0.2446 0.3170 0.4003 ( 1121 PWs) bands (ev): -12.2997 -12.2997 -12.2513 -12.2513 -11.2882 -11.2882 -11.2331 -11.2331 -11.1745 -11.1745 2.7286 2.7286 7.4219 7.4219 9.6813 9.6813 17.5178 17.5178 20.6050 20.6050 21.4969 21.4969 k =-0.2396 0.3105 0.3922 ( 1121 PWs) bands (ev): -12.3000 -12.3000 -12.2516 -12.2516 -11.2883 -11.2883 -11.2338 -11.2338 -11.1748 -11.1748 2.6037 2.6037 7.5559 7.5559 9.8340 9.8340 17.6001 17.6001 20.7142 20.7142 21.3405 21.3405 k =-0.2346 0.3040 0.3840 ( 1117 PWs) bands (ev): -12.3002 -12.3002 -12.2521 -12.2521 -11.2884 -11.2884 -11.2345 -11.2345 -11.1754 -11.1754 2.4784 2.4784 7.6969 7.6969 9.9889 9.9889 17.6777 17.6777 20.8189 20.8189 21.1911 21.1911 k =-0.2296 0.2976 0.3758 ( 1117 PWs) bands (ev): -12.3005 -12.3005 -12.2525 -12.2525 -11.2884 -11.2884 -11.2351 -11.2351 -11.1762 -11.1762 2.3531 2.3531 7.8444 7.8444 10.1459 10.1459 17.7499 17.7499 20.9002 20.9002 21.0666 21.0666 k =-0.2246 0.2911 0.3677 ( 1117 PWs) bands (ev): -12.3007 -12.3007 -12.2531 -12.2531 -11.2884 -11.2884 -11.2357 -11.2357 -11.1772 -11.1772 2.2283 2.2283 7.9980 7.9980 10.3050 10.3050 17.8162 17.8162 20.8491 20.8491 21.0748 21.0748 k =-0.2196 0.2846 0.3595 ( 1115 PWs) bands (ev): -12.3009 -12.3009 -12.2537 -12.2537 -11.2884 -11.2884 -11.2363 -11.2363 -11.1783 -11.1783 2.1045 2.1045 8.1571 8.1571 10.4661 10.4661 17.8761 17.8761 20.7182 20.7182 21.1617 21.1617 k =-0.2146 0.2781 0.3513 ( 1115 PWs) bands (ev): -12.3011 -12.3011 -12.2544 -12.2544 -11.2883 -11.2883 -11.2369 -11.2369 -11.1796 -11.1796 1.9818 1.9818 8.3215 8.3215 10.6291 10.6291 17.9290 17.9290 20.5810 20.5810 21.2516 21.2516 k =-0.2096 0.2717 0.3432 ( 1115 PWs) bands (ev): -12.3013 -12.3013 -12.2551 -12.2551 -11.2882 -11.2882 -11.2375 -11.2375 -11.1811 -11.1811 1.8607 1.8607 8.4909 8.4909 10.7940 10.7940 17.9746 17.9746 20.4452 20.4452 21.3342 21.3342 k =-0.2046 0.2652 0.3350 ( 1117 PWs) bands (ev): -12.3015 -12.3015 -12.2559 -12.2559 -11.2881 -11.2881 -11.2381 -11.2381 -11.1827 -11.1827 1.7414 1.7414 8.6650 8.6650 10.9606 10.9606 18.0125 18.0125 20.3125 20.3125 21.4051 21.4051 k =-0.1996 0.2587 0.3268 ( 1117 PWs) bands (ev): -12.3017 -12.3017 -12.2567 -12.2567 -11.2880 -11.2880 -11.2386 -11.2386 -11.1844 -11.1844 1.6239 1.6239 8.8436 8.8436 11.1289 11.1289 18.0425 18.0425 20.1833 20.1833 21.4610 21.4610 k =-0.1947 0.2523 0.3186 ( 1115 PWs) bands (ev): -12.3019 -12.3019 -12.2576 -12.2576 -11.2880 -11.2880 -11.2392 -11.2392 -11.1863 -11.1863 1.5086 1.5086 9.0266 9.0266 11.2987 11.2987 18.0647 18.0647 20.0579 20.0579 21.4994 21.4994 k =-0.1897 0.2458 0.3105 ( 1115 PWs) bands (ev): -12.3020 -12.3020 -12.2586 -12.2586 -11.2879 -11.2879 -11.2397 -11.2397 -11.1882 -11.1882 1.3955 1.3955 9.2136 9.2136 11.4700 11.4700 18.0791 18.0791 19.9366 19.9366 21.5194 21.5194 k =-0.1847 0.2393 0.3023 ( 1115 PWs) bands (ev): -12.3022 -12.3022 -12.2596 -12.2596 -11.2878 -11.2878 -11.2403 -11.2403 -11.1901 -11.1901 1.2848 1.2848 9.4046 9.4046 11.6425 11.6425 18.0859 18.0859 19.8195 19.8195 21.5219 21.5219 k =-0.1797 0.2329 0.2941 ( 1115 PWs) bands (ev): -12.3023 -12.3023 -12.2607 -12.2607 -11.2877 -11.2877 -11.2409 -11.2409 -11.1921 -11.1921 1.1765 1.1765 9.5994 9.5994 11.8161 11.8161 18.0855 18.0855 19.7067 19.7067 21.5093 21.5093 k =-0.1747 0.2264 0.2860 ( 1115 PWs) bands (ev): -12.3024 -12.3024 -12.2618 -12.2618 -11.2877 -11.2877 -11.2415 -11.2415 -11.1940 -11.1940 1.0708 1.0708 9.7979 9.7979 11.9906 11.9906 18.0783 18.0783 19.5984 19.5984 21.4844 21.4844 k =-0.1697 0.2199 0.2778 ( 1123 PWs) bands (ev): -12.3026 -12.3026 -12.2630 -12.2630 -11.2877 -11.2877 -11.2423 -11.2423 -11.1959 -11.1959 0.9677 0.9677 10.0000 10.0000 12.1659 12.1659 18.0649 18.0649 19.4947 19.4947 21.4502 21.4502 k =-0.1647 0.2135 0.2696 ( 1123 PWs) bands (ev): -12.3027 -12.3027 -12.2643 -12.2643 -11.2877 -11.2877 -11.2431 -11.2431 -11.1977 -11.1977 0.8673 0.8673 10.2054 10.2054 12.3417 12.3417 18.0460 18.0460 19.3960 19.3960 21.4093 21.4093 k =-0.1597 0.2070 0.2614 ( 1125 PWs) bands (ev): -12.3028 -12.3028 -12.2656 -12.2656 -11.2878 -11.2878 -11.2440 -11.2440 -11.1994 -11.1994 0.7696 0.7696 10.4141 10.4141 12.5177 12.5177 18.0223 18.0223 19.3024 19.3024 21.3639 21.3639 k =-0.1547 0.2005 0.2533 ( 1125 PWs) bands (ev): -12.3029 -12.3029 -12.2670 -12.2670 -11.2879 -11.2879 -11.2450 -11.2450 -11.2009 -11.2009 0.6747 0.6747 10.6259 10.6259 12.6936 12.6936 17.9943 17.9943 19.2141 19.2141 21.3154 21.3154 k =-0.1497 0.1941 0.2451 ( 1125 PWs) bands (ev): -12.3030 -12.3030 -12.2685 -12.2685 -11.2880 -11.2880 -11.2462 -11.2462 -11.2022 -11.2022 0.5827 0.5827 10.8407 10.8407 12.8692 12.8692 17.9628 17.9628 19.1314 19.1314 21.2651 21.2651 k =-0.1447 0.1876 0.2369 ( 1125 PWs) bands (ev): -12.3031 -12.3031 -12.2700 -12.2700 -11.2882 -11.2882 -11.2475 -11.2475 -11.2033 -11.2033 0.4935 0.4935 11.0583 11.0583 13.0440 13.0440 17.9286 17.9286 19.0547 19.0547 21.2140 21.2140 k =-0.1397 0.1811 0.2288 ( 1121 PWs) bands (ev): -12.3032 -12.3032 -12.2715 -12.2715 -11.2885 -11.2885 -11.2489 -11.2489 -11.2042 -11.2042 0.4073 0.4073 11.2787 11.2787 13.2177 13.2177 17.8922 17.8922 18.9843 18.9843 21.1626 21.1626 k =-0.1348 0.1747 0.2206 ( 1121 PWs) bands (ev): -12.3033 -12.3033 -12.2731 -12.2731 -11.2888 -11.2888 -11.2505 -11.2505 -11.2048 -11.2048 0.3240 0.3240 11.5016 11.5016 13.3897 13.3897 17.8543 17.8543 18.9208 18.9208 21.1115 21.1115 k =-0.1298 0.1682 0.2124 ( 1123 PWs) bands (ev): -12.3034 -12.3034 -12.2747 -12.2747 -11.2892 -11.2892 -11.2522 -11.2522 -11.2052 -11.2052 0.2436 0.2436 11.7268 11.7268 13.5594 13.5594 17.8153 17.8153 18.8647 18.8647 21.0611 21.0611 k =-0.1248 0.1617 0.2043 ( 1127 PWs) bands (ev): -12.3035 -12.3035 -12.2763 -12.2763 -11.2897 -11.2897 -11.2540 -11.2540 -11.2054 -11.2054 0.1662 0.1662 11.9542 11.9542 13.7264 13.7264 17.7759 17.7759 18.8167 18.8167 21.0117 21.0117 k =-0.1198 0.1552 0.1961 ( 1127 PWs) bands (ev): -12.3037 -12.3037 -12.2780 -12.2780 -11.2902 -11.2902 -11.2559 -11.2559 -11.2054 -11.2054 0.0918 0.0918 12.1834 12.1834 13.8900 13.8900 17.7363 17.7363 18.7775 18.7775 20.9635 20.9635 k =-0.1148 0.1488 0.1879 ( 1119 PWs) bands (ev): -12.3038 -12.3038 -12.2797 -12.2797 -11.2909 -11.2909 -11.2578 -11.2578 -11.2052 -11.2052 0.0204 0.0204 12.4143 12.4143 14.0495 14.0495 17.6969 17.6969 18.7480 18.7480 20.9168 20.9168 k =-0.1098 0.1423 0.1797 ( 1123 PWs) bands (ev): -12.3039 -12.3039 -12.2814 -12.2814 -11.2915 -11.2915 -11.2597 -11.2597 -11.2049 -11.2049 -0.0480 -0.0480 12.6465 12.6465 14.2042 14.2042 17.6580 17.6580 18.7291 18.7291 20.8715 20.8715 k =-0.1048 0.1358 0.1716 ( 1119 PWs) bands (ev): -12.3041 -12.3041 -12.2831 -12.2831 -11.2923 -11.2923 -11.2616 -11.2616 -11.2044 -11.2044 -0.1134 -0.1134 12.8796 12.8796 14.3534 14.3534 17.6198 17.6198 18.7218 18.7218 20.8279 20.8279 k =-0.0998 0.1294 0.1634 ( 1119 PWs) bands (ev): -12.3042 -12.3042 -12.2847 -12.2847 -11.2931 -11.2931 -11.2634 -11.2634 -11.2038 -11.2038 -0.1757 -0.1757 13.1131 13.1131 14.4965 14.4965 17.5824 17.5824 18.7272 18.7272 20.7860 20.7860 k =-0.0948 0.1229 0.1552 ( 1119 PWs) bands (ev): -12.3044 -12.3044 -12.2864 -12.2864 -11.2940 -11.2940 -11.2651 -11.2651 -11.2032 -11.2032 -0.2350 -0.2350 13.3463 13.3463 14.6330 14.6330 17.5460 17.5460 18.7463 18.7463 20.7460 20.7460 k =-0.0898 0.1164 0.1471 ( 1117 PWs) bands (ev): -12.3046 -12.3046 -12.2879 -12.2879 -11.2950 -11.2950 -11.2668 -11.2668 -11.2024 -11.2024 -0.2913 -0.2913 13.5783 13.5783 14.7628 14.7628 17.5107 17.5107 18.7799 18.7799 20.7078 20.7078 k =-0.0848 0.1100 0.1389 ( 1117 PWs) bands (ev): -12.3049 -12.3049 -12.2895 -12.2895 -11.2960 -11.2960 -11.2683 -11.2683 -11.2017 -11.2017 -0.3445 -0.3445 13.8079 13.8079 14.8859 14.8859 17.4766 17.4766 18.8287 18.8287 20.6716 20.6716 k =-0.0799 0.1035 0.1307 ( 1117 PWs) bands (ev): -12.3052 -12.3052 -12.2909 -12.2909 -11.2971 -11.2971 -11.2697 -11.2697 -11.2008 -11.2008 -0.3947 -0.3947 14.0334 14.0334 15.0034 15.0034 17.4439 17.4439 18.8934 18.8934 20.6373 20.6373 k =-0.0749 0.0970 0.1226 ( 1121 PWs) bands (ev): -12.3055 -12.3055 -12.2923 -12.2923 -11.2982 -11.2982 -11.2710 -11.2710 -11.2000 -11.2000 -0.4418 -0.4418 14.2521 14.2521 15.1171 15.1171 17.4126 17.4126 18.9741 18.9741 20.6049 20.6049 k =-0.0699 0.0906 0.1144 ( 1121 PWs) bands (ev): -12.3060 -12.3060 -12.2935 -12.2935 -11.2993 -11.2993 -11.2722 -11.2722 -11.1992 -11.1992 -0.4859 -0.4859 14.4599 14.4599 15.2302 15.2302 17.3831 17.3831 19.0709 19.0709 20.5746 20.5746 k =-0.0649 0.0841 0.1062 ( 1117 PWs) bands (ev): -12.3064 -12.3064 -12.2947 -12.2947 -11.3004 -11.3004 -11.2733 -11.2733 -11.1983 -11.1983 -0.5269 -0.5269 14.6513 14.6513 15.3481 15.3481 17.3555 17.3555 19.1833 19.1833 20.5464 20.5464 k =-0.0599 0.0776 0.0980 ( 1117 PWs) bands (ev): -12.3070 -12.3070 -12.2956 -12.2956 -11.3015 -11.3015 -11.2743 -11.2743 -11.1975 -11.1975 -0.5649 -0.5649 14.8191 14.8191 15.4773 15.4773 17.3301 17.3301 19.3107 19.3107 20.5202 20.5202 k =-0.0549 0.0712 0.0899 ( 1109 PWs) bands (ev): -12.3076 -12.3076 -12.2965 -12.2965 -11.3026 -11.3026 -11.2751 -11.2751 -11.1967 -11.1967 -0.5999 -0.5999 14.9574 14.9574 15.6230 15.6230 17.3073 17.3073 19.4524 19.4524 20.4961 20.4961 k =-0.0499 0.0647 0.0817 ( 1109 PWs) bands (ev): -12.3082 -12.3082 -12.2972 -12.2972 -11.3037 -11.3037 -11.2759 -11.2759 -11.1960 -11.1960 -0.6318 -0.6318 15.0654 15.0654 15.7853 15.7853 17.2875 17.2875 19.6073 19.6073 20.4741 20.4741 k =-0.0449 0.0582 0.0735 ( 1109 PWs) bands (ev): -12.3089 -12.3089 -12.2978 -12.2978 -11.3046 -11.3046 -11.2765 -11.2765 -11.1953 -11.1953 -0.6606 -0.6606 15.1470 15.1470 15.9590 15.9590 17.2714 17.2714 19.7742 19.7742 20.4543 20.4543 k =-0.0399 0.0517 0.0654 ( 1113 PWs) bands (ev): -12.3095 -12.3095 -12.2982 -12.2982 -11.3055 -11.3055 -11.2771 -11.2771 -11.1947 -11.1947 -0.6865 -0.6865 15.2084 15.2084 16.1361 16.1361 17.2599 17.2599 19.9517 19.9517 20.4367 20.4367 k =-0.0349 0.0453 0.0572 ( 1109 PWs) bands (ev): -12.3102 -12.3102 -12.2986 -12.2986 -11.3064 -11.3064 -11.2776 -11.2776 -11.1941 -11.1941 -0.7092 -0.7092 15.2549 15.2549 16.3087 16.3087 17.2543 17.2543 20.1378 20.1378 20.4219 20.4219 k =-0.0299 0.0388 0.0490 ( 1105 PWs) bands (ev): -12.3108 -12.3108 -12.2989 -12.2989 -11.3071 -11.3071 -11.2780 -11.2780 -11.1936 -11.1936 -0.7290 -0.7290 15.2901 15.2901 16.4688 16.4688 17.2563 17.2563 20.3264 20.3264 20.4144 20.4144 k =-0.0250 0.0323 0.0409 ( 1105 PWs) bands (ev): -12.3114 -12.3114 -12.2992 -12.2992 -11.3077 -11.3077 -11.2784 -11.2784 -11.1931 -11.1931 -0.7457 -0.7457 15.3168 15.3168 16.6087 16.6087 17.2683 17.2683 20.3893 20.3893 20.5398 20.5398 k =-0.0200 0.0259 0.0327 ( 1101 PWs) bands (ev): -12.3118 -12.3118 -12.2993 -12.2993 -11.3083 -11.3083 -11.2786 -11.2786 -11.1927 -11.1927 -0.7593 -0.7593 15.3367 15.3367 16.7212 16.7212 17.2918 17.2918 20.3825 20.3825 20.7385 20.7385 k =-0.0150 0.0194 0.0245 ( 1109 PWs) bands (ev): -12.3122 -12.3122 -12.2995 -12.2995 -11.3087 -11.3087 -11.2789 -11.2789 -11.1925 -11.1925 -0.7700 -0.7700 15.3511 15.3511 16.8023 16.8023 17.3251 17.3251 20.3758 20.3758 20.9290 20.9290 k =-0.0100 0.0129 0.0163 ( 1113 PWs) bands (ev): -12.3125 -12.3125 -12.2996 -12.2996 -11.3090 -11.3090 -11.2790 -11.2790 -11.1922 -11.1922 -0.7776 -0.7776 15.3608 15.3608 16.8536 16.8536 17.3608 17.3608 20.3708 20.3708 20.8939 20.8939 k =-0.0050 0.0065 0.0082 ( 1113 PWs) bands (ev): -12.3126 -12.3126 -12.2996 -12.2996 -11.3092 -11.3092 -11.2791 -11.2791 -11.1921 -11.1921 -0.7821 -0.7821 15.3665 15.3665 16.8808 16.8808 17.3883 17.3883 20.3677 20.3677 20.8532 20.8532 k = 0.0000 0.0000 0.0000 ( 1113 PWs) bands (ev): -12.3127 -12.3127 -12.2996 -12.2996 -11.3092 -11.3092 -11.2791 -11.2791 -11.1921 -11.1921 -0.7836 -0.7836 15.3683 15.3683 16.8892 16.8892 17.3986 17.3986 20.3667 20.3667 20.8390 20.8390 k = 0.0000 0.0000 0.0000 ( 1113 PWs) bands (ev): -12.3127 -12.3127 -12.2996 -12.2996 -11.3092 -11.3092 -11.2791 -11.2791 -11.1921 -11.1921 -0.7836 -0.7836 15.3683 15.3683 16.8892 16.8892 17.3986 17.3986 20.3667 20.3667 20.8390 20.8390 k = 0.0093 0.0071 0.0000 ( 1113 PWs) bands (ev): -12.3127 -12.3127 -12.2996 -12.2996 -11.3092 -11.3092 -11.2791 -11.2791 -11.1920 -11.1920 -0.7821 -0.7821 15.3525 15.3525 16.8820 16.8820 17.3933 17.3933 20.3688 20.3688 20.7992 20.7992 k = 0.0185 0.0143 0.0000 ( 1113 PWs) bands (ev): -12.3127 -12.3127 -12.2995 -12.2995 -11.3092 -11.3092 -11.2790 -11.2790 -11.1919 -11.1919 -0.7776 -0.7776 15.3055 15.3055 16.8607 16.8607 17.3775 17.3775 20.3730 20.3730 20.7076 20.7076 k = 0.0278 0.0214 0.0000 ( 1113 PWs) bands (ev): -12.3127 -12.3127 -12.2994 -12.2994 -11.3091 -11.3091 -11.2790 -11.2790 -11.1918 -11.1918 -0.7701 -0.7701 15.2285 15.2285 16.8269 16.8269 17.3517 17.3517 20.3735 20.3735 20.5966 20.5966 k = 0.0370 0.0286 0.0000 ( 1113 PWs) bands (ev): -12.3127 -12.3127 -12.2992 -12.2992 -11.3090 -11.3090 -11.2788 -11.2788 -11.1916 -11.1916 -0.7595 -0.7595 15.1237 15.1237 16.7822 16.7822 17.3161 17.3161 20.3638 20.3638 20.4792 20.4792 k = 0.0463 0.0357 0.0000 ( 1105 PWs) bands (ev): -12.3126 -12.3126 -12.2990 -12.2990 -11.3089 -11.3089 -11.2786 -11.2786 -11.1913 -11.1913 -0.7459 -0.7459 14.9935 14.9935 16.7287 16.7287 17.2717 17.2717 20.3391 20.3391 20.3602 20.3602 k = 0.0556 0.0429 0.0000 ( 1105 PWs) bands (ev): -12.3126 -12.3126 -12.2988 -12.2988 -11.3088 -11.3088 -11.2784 -11.2784 -11.1910 -11.1910 -0.7293 -0.7293 14.8409 14.8409 16.6680 16.6680 17.2190 17.2190 20.2415 20.2415 20.2982 20.2982 k = 0.0648 0.0500 0.0000 ( 1109 PWs) bands (ev): -12.3126 -12.3126 -12.2985 -12.2985 -11.3087 -11.3087 -11.2782 -11.2782 -11.1906 -11.1906 -0.7097 -0.7097 14.6690 14.6690 16.6016 16.6016 17.1590 17.1590 20.1241 20.1241 20.2427 20.2427 k = 0.0741 0.0572 0.0000 ( 1101 PWs) bands (ev): -12.3126 -12.3126 -12.2981 -12.2981 -11.3085 -11.3085 -11.2779 -11.2779 -11.1901 -11.1901 -0.6871 -0.6871 14.4809 14.4809 16.5305 16.5305 17.0926 17.0926 20.0086 20.0086 20.1754 20.1754 k = 0.0833 0.0643 0.0000 ( 1104 PWs) bands (ev): -12.3125 -12.3125 -12.2977 -12.2977 -11.3084 -11.3084 -11.2776 -11.2776 -11.1896 -11.1896 -0.6615 -0.6615 14.2793 14.2793 16.4554 16.4554 17.0205 17.0205 19.8952 19.8952 20.0993 20.0993 k = 0.0926 0.0714 0.0000 ( 1112 PWs) bands (ev): -12.3125 -12.3125 -12.2973 -12.2973 -11.3082 -11.3082 -11.2773 -11.2773 -11.1890 -11.1890 -0.6329 -0.6329 14.0666 14.0666 16.3772 16.3772 16.9436 16.9436 19.7840 19.7840 20.0169 20.0169 k = 0.1019 0.0786 0.0000 ( 1112 PWs) bands (ev): -12.3124 -12.3124 -12.2968 -12.2968 -11.3080 -11.3080 -11.2769 -11.2769 -11.1884 -11.1884 -0.6013 -0.6013 13.8450 13.8450 16.2962 16.2962 16.8628 16.8628 19.6752 19.6752 19.9303 19.9303 k = 0.1111 0.0857 0.0000 ( 1120 PWs) bands (ev): -12.3124 -12.3124 -12.2963 -12.2963 -11.3077 -11.3077 -11.2765 -11.2765 -11.1877 -11.1877 -0.5667 -0.5667 13.6164 13.6164 16.2131 16.2131 16.7787 16.7787 19.5689 19.5689 19.8410 19.8410 k = 0.1204 0.0929 0.0000 ( 1128 PWs) bands (ev): -12.3124 -12.3124 -12.2958 -12.2958 -11.3075 -11.3075 -11.2760 -11.2760 -11.1870 -11.1870 -0.5292 -0.5292 13.3822 13.3822 16.1282 16.1282 16.6920 16.6920 19.4650 19.4650 19.7502 19.7502 k = 0.1296 0.1000 0.0000 ( 1128 PWs) bands (ev): -12.3123 -12.3123 -12.2952 -12.2952 -11.3073 -11.3073 -11.2756 -11.2756 -11.1862 -11.1862 -0.4886 -0.4886 13.1438 13.1438 16.0420 16.0420 16.6033 16.6033 19.3637 19.3637 19.6589 19.6589 k = 0.1389 0.1072 0.0000 ( 1128 PWs) bands (ev): -12.3123 -12.3123 -12.2946 -12.2946 -11.3070 -11.3070 -11.2751 -11.2751 -11.1854 -11.1854 -0.4451 -0.4451 12.9022 12.9022 15.9549 15.9549 16.5132 16.5132 19.2649 19.2649 19.5678 19.5678 k = 0.1481 0.1143 0.0000 ( 1128 PWs) bands (ev): -12.3122 -12.3122 -12.2940 -12.2940 -11.3068 -11.3068 -11.2746 -11.2746 -11.1845 -11.1845 -0.3987 -0.3987 12.6583 12.6583 15.8671 15.8671 16.4222 16.4222 19.1687 19.1687 19.4773 19.4773 k = 0.1574 0.1215 0.0000 ( 1132 PWs) bands (ev): -12.3122 -12.3122 -12.2933 -12.2933 -11.3065 -11.3065 -11.2740 -11.2740 -11.1836 -11.1836 -0.3493 -0.3493 12.4130 12.4130 15.7791 15.7791 16.3307 16.3307 19.0751 19.0751 19.3879 19.3879 k = 0.1667 0.1286 0.0000 ( 1132 PWs) bands (ev): -12.3121 -12.3121 -12.2926 -12.2926 -11.3062 -11.3062 -11.2735 -11.2735 -11.1826 -11.1826 -0.2969 -0.2969 12.1667 12.1667 15.6910 15.6910 16.2391 16.2391 18.9840 18.9840 19.2998 19.2998 k = 0.1759 0.1357 0.0000 ( 1128 PWs) bands (ev): -12.3121 -12.3121 -12.2919 -12.2919 -11.3059 -11.3059 -11.2729 -11.2729 -11.1816 -11.1816 -0.2417 -0.2417 11.9201 11.9201 15.6033 15.6033 16.1477 16.1477 18.8956 18.8956 19.2134 19.2134 k = 0.1852 0.1429 0.0000 ( 1136 PWs) bands (ev): -12.3120 -12.3120 -12.2912 -12.2912 -11.3057 -11.3057 -11.2723 -11.2723 -11.1806 -11.1806 -0.1836 -0.1836 11.6737 11.6737 15.5161 15.5161 16.0569 16.0569 18.8096 18.8096 19.1289 19.1289 k = 0.1944 0.1500 0.0000 ( 1136 PWs) bands (ev): -12.3120 -12.3120 -12.2905 -12.2905 -11.3054 -11.3054 -11.2717 -11.2717 -11.1795 -11.1795 -0.1225 -0.1225 11.4278 11.4278 15.4298 15.4298 15.9669 15.9669 18.7263 18.7263 19.0463 19.0463 k = 0.2037 0.1572 0.0000 ( 1136 PWs) bands (ev): -12.3119 -12.3119 -12.2897 -12.2897 -11.3051 -11.3051 -11.2711 -11.2711 -11.1784 -11.1784 -0.0587 -0.0587 11.1828 11.1828 15.3444 15.3444 15.8780 15.8780 18.6455 18.6455 18.9658 18.9658 k = 0.2130 0.1643 0.0000 ( 1140 PWs) bands (ev): -12.3119 -12.3119 -12.2890 -12.2890 -11.3048 -11.3048 -11.2705 -11.2705 -11.1773 -11.1773 0.0080 0.0080 10.9390 10.9390 15.2603 15.2603 15.7904 15.7904 18.5673 18.5673 18.8876 18.8876 k = 0.2222 0.1715 0.0000 ( 1132 PWs) bands (ev): -12.3118 -12.3118 -12.2882 -12.2882 -11.3045 -11.3045 -11.2698 -11.2698 -11.1761 -11.1761 0.0775 0.0775 10.6967 10.6967 15.1775 15.1775 15.7043 15.7043 18.4917 18.4917 18.8117 18.8117 k = 0.2315 0.1786 0.0000 ( 1132 PWs) bands (ev): -12.3118 -12.3118 -12.2875 -12.2875 -11.3042 -11.3042 -11.2692 -11.2692 -11.1749 -11.1749 0.1497 0.1497 10.4561 10.4561 15.0964 15.0964 15.6199 15.6199 18.4186 18.4186 18.7380 18.7380 k = 0.2407 0.1858 0.0000 ( 1132 PWs) bands (ev): -12.3117 -12.3117 -12.2867 -12.2867 -11.3040 -11.3040 -11.2685 -11.2685 -11.1738 -11.1738 0.2246 0.2246 10.2174 10.2174 15.0169 15.0169 15.5373 15.5373 18.3480 18.3480 18.6668 18.6668 k = 0.2500 0.1929 0.0000 ( 1132 PWs) bands (ev): -12.3117 -12.3117 -12.2859 -12.2859 -11.3037 -11.3037 -11.2679 -11.2679 -11.1726 -11.1726 0.3023 0.3023 9.9809 9.9809 14.9393 14.9393 15.4567 15.4567 18.2800 18.2800 18.5981 18.5981 k = 0.2593 0.2000 0.0000 ( 1124 PWs) bands (ev): -12.3116 -12.3116 -12.2852 -12.2852 -11.3034 -11.3034 -11.2673 -11.2673 -11.1713 -11.1713 0.3825 0.3825 9.7468 9.7468 14.8637 14.8637 15.3782 15.3782 18.2146 18.2146 18.5318 18.5318 k = 0.2685 0.2072 0.0000 ( 1124 PWs) bands (ev): -12.3116 -12.3116 -12.2844 -12.2844 -11.3032 -11.3032 -11.2666 -11.2666 -11.1701 -11.1701 0.4653 0.4653 9.5152 9.5152 14.7902 14.7902 15.3020 15.3020 18.1517 18.1517 18.4679 18.4679 k = 0.2778 0.2143 0.0000 ( 1124 PWs) bands (ev): -12.3115 -12.3115 -12.2837 -12.2837 -11.3029 -11.3029 -11.2660 -11.2660 -11.1689 -11.1689 0.5506 0.5506 9.2863 9.2863 14.7189 14.7189 15.2281 15.2281 18.0913 18.0913 18.4066 18.4066 k = 0.2870 0.2215 0.0000 ( 1124 PWs) bands (ev): -12.3115 -12.3115 -12.2829 -12.2829 -11.3027 -11.3027 -11.2653 -11.2653 -11.1677 -11.1677 0.6383 0.6383 9.0603 9.0603 14.6499 14.6499 15.1566 15.1566 18.0334 18.0334 18.3478 18.3478 k = 0.2963 0.2286 0.0000 ( 1124 PWs) bands (ev): -12.3115 -12.3115 -12.2822 -12.2822 -11.3024 -11.3024 -11.2647 -11.2647 -11.1665 -11.1665 0.7283 0.7283 8.8374 8.8374 14.5833 14.5833 15.0877 15.0877 17.9780 17.9780 18.2916 18.2916 k = 0.3056 0.2358 0.0000 ( 1124 PWs) bands (ev): -12.3114 -12.3114 -12.2815 -12.2815 -11.3022 -11.3022 -11.2641 -11.2641 -11.1653 -11.1653 0.8205 0.8205 8.6178 8.6178 14.5191 14.5191 15.0213 15.0213 17.9252 17.9252 18.2379 18.2379 k = 0.3148 0.2429 0.0000 ( 1124 PWs) bands (ev): -12.3114 -12.3114 -12.2808 -12.2808 -11.3020 -11.3020 -11.2635 -11.2635 -11.1642 -11.1642 0.9147 0.9147 8.4017 8.4017 14.4576 14.4576 14.9577 14.9577 17.8748 17.8748 18.1867 18.1867 k = 0.3241 0.2500 0.0000 ( 1124 PWs) bands (ev): -12.3114 -12.3114 -12.2801 -12.2801 -11.3018 -11.3018 -11.2629 -11.2629 -11.1630 -11.1630 1.0109 1.0109 8.1892 8.1892 14.3986 14.3986 14.8968 14.8968 17.8270 17.8270 18.1380 18.1380 k = 0.3333 0.2572 0.0000 ( 1128 PWs) bands (ev): -12.3113 -12.3113 -12.2795 -12.2795 -11.3016 -11.3016 -11.2623 -11.2623 -11.1619 -11.1619 1.1089 1.1089 7.9807 7.9807 14.3424 14.3424 14.8387 14.8387 17.7816 17.7816 18.0919 18.0919 k = 0.3426 0.2643 0.0000 ( 1120 PWs) bands (ev): -12.3113 -12.3113 -12.2789 -12.2789 -11.3014 -11.3014 -11.2618 -11.2618 -11.1608 -11.1608 1.2084 1.2084 7.7763 7.7763 14.2888 14.2888 14.7834 14.7834 17.7387 17.7387 18.0484 18.0484 k = 0.3519 0.2715 0.0000 ( 1120 PWs) bands (ev): -12.3113 -12.3113 -12.2783 -12.2783 -11.3012 -11.3012 -11.2613 -11.2613 -11.1598 -11.1598 1.3092 1.3092 7.5765 7.5765 14.2381 14.2381 14.7311 14.7311 17.6983 17.6983 18.0073 18.0073 k = 0.3611 0.2786 0.0000 ( 1120 PWs) bands (ev): -12.3113 -12.3113 -12.2777 -12.2777 -11.3010 -11.3010 -11.2608 -11.2608 -11.1588 -11.1588 1.4110 1.4110 7.3814 7.3814 14.1903 14.1903 14.6817 14.6817 17.6604 17.6604 17.9688 17.9688 k = 0.3704 0.2858 0.0000 ( 1120 PWs) bands (ev): -12.3113 -12.3113 -12.2771 -12.2771 -11.3008 -11.3008 -11.2603 -11.2603 -11.1578 -11.1578 1.5135 1.5135 7.1915 7.1915 14.1453 14.1453 14.6354 14.6354 17.6249 17.6249 17.9328 17.9328 k = 0.3796 0.2929 0.0000 ( 1120 PWs) bands (ev): -12.3112 -12.3112 -12.2766 -12.2766 -11.3007 -11.3007 -11.2598 -11.2598 -11.1569 -11.1569 1.6162 1.6162 7.0073 7.0073 14.1033 14.1033 14.5920 14.5920 17.5919 17.5919 17.8993 17.8993 k = 0.3889 0.3001 0.0000 ( 1120 PWs) bands (ev): -12.3112 -12.3112 -12.2761 -12.2761 -11.3005 -11.3005 -11.2594 -11.2594 -11.1561 -11.1561 1.7187 1.7187 6.8293 6.8293 14.0642 14.0642 14.5518 14.5518 17.5614 17.5614 17.8683 17.8683 k = 0.3981 0.3072 0.0000 ( 1120 PWs) bands (ev): -12.3112 -12.3112 -12.2757 -12.2757 -11.3004 -11.3004 -11.2590 -11.2590 -11.1553 -11.1553 1.8203 1.8203 6.6580 6.6580 14.0282 14.0282 14.5147 14.5147 17.5333 17.5333 17.8399 17.8399 k = 0.4074 0.3143 0.0000 ( 1128 PWs) bands (ev): -12.3112 -12.3112 -12.2753 -12.2753 -11.3003 -11.3003 -11.2586 -11.2586 -11.1545 -11.1545 1.9202 1.9202 6.4944 6.4944 13.9951 13.9951 14.4807 14.4807 17.5077 17.5077 17.8139 17.8139 k = 0.4167 0.3215 0.0000 ( 1132 PWs) bands (ev): -12.3112 -12.3112 -12.2749 -12.2749 -11.3002 -11.3002 -11.2583 -11.2583 -11.1538 -11.1538 2.0178 2.0178 6.3392 6.3392 13.9652 13.9652 14.4498 14.4498 17.4845 17.4845 17.7904 17.7904 k = 0.4259 0.3286 0.0000 ( 1132 PWs) bands (ev): -12.3112 -12.3112 -12.2746 -12.2746 -11.3001 -11.3001 -11.2580 -11.2580 -11.1532 -11.1532 2.1117 2.1117 6.1936 6.1936 13.9383 13.9383 14.4222 14.4222 17.4638 17.4638 17.7694 17.7694 k = 0.4352 0.3358 0.0000 ( 1132 PWs) bands (ev): -12.3112 -12.3112 -12.2743 -12.2743 -11.3000 -11.3000 -11.2577 -11.2577 -11.1526 -11.1526 2.2009 2.2009 6.0588 6.0588 13.9146 13.9146 14.3977 14.3977 17.4455 17.4455 17.7509 17.7509 k = 0.4444 0.3429 0.0000 ( 1132 PWs) bands (ev): -12.3111 -12.3111 -12.2740 -12.2740 -11.2999 -11.2999 -11.2574 -11.2574 -11.1522 -11.1522 2.2838 2.2838 5.9364 5.9364 13.8939 13.8939 14.3765 14.3765 17.4297 17.4297 17.7349 17.7349 k = 0.4537 0.3501 0.0000 ( 1132 PWs) bands (ev): -12.3111 -12.3111 -12.2738 -12.2738 -11.2999 -11.2999 -11.2572 -11.2572 -11.1517 -11.1517 2.3587 2.3587 5.8279 5.8279 13.8765 13.8765 14.3585 14.3585 17.4163 17.4163 17.7213 17.7213 k = 0.4630 0.3572 0.0000 ( 1132 PWs) bands (ev): -12.3111 -12.3111 -12.2736 -12.2736 -11.2998 -11.2998 -11.2571 -11.2571 -11.1514 -11.1514 2.4239 2.4239 5.7354 5.7354 13.8622 13.8622 14.3438 14.3438 17.4053 17.4053 17.7102 17.7102 k = 0.4722 0.3644 0.0000 ( 1132 PWs) bands (ev): -12.3111 -12.3111 -12.2735 -12.2735 -11.2998 -11.2998 -11.2569 -11.2569 -11.1511 -11.1511 2.4772 2.4772 5.6607 5.6607 13.8510 13.8510 14.3323 14.3323 17.3968 17.3968 17.7016 17.7016 k = 0.4815 0.3715 0.0000 ( 1132 PWs) bands (ev): -12.3111 -12.3111 -12.2734 -12.2734 -11.2997 -11.2997 -11.2568 -11.2568 -11.1509 -11.1509 2.5170 2.5170 5.6057 5.6057 13.8430 13.8430 14.3241 14.3241 17.3907 17.3907 17.6954 17.6954 k = 0.4907 0.3786 0.0000 ( 1112 PWs) bands (ev): -12.3111 -12.3111 -12.2733 -12.2733 -11.2997 -11.2997 -11.2568 -11.2568 -11.1508 -11.1508 2.5416 2.5416 5.5720 5.5720 13.8383 13.8383 14.3192 14.3192 17.3871 17.3871 17.6917 17.6917 k = 0.5000 0.3858 0.0000 ( 1112 PWs) bands (ev): -12.3111 -12.3111 -12.2733 -12.2733 -11.2997 -11.2997 -11.2568 -11.2568 -11.1508 -11.1508 2.5499 2.5499 5.5606 5.5606 13.8367 13.8367 14.3176 14.3176 17.3859 17.3859 17.6905 17.6905 k = 0.5000 0.3858 0.0000 ( 1112 PWs) bands (ev): -12.3111 -12.3111 -12.2733 -12.2733 -11.2997 -11.2997 -11.2568 -11.2568 -11.1508 -11.1508 2.5499 2.5499 5.5606 5.5606 13.8367 13.8367 14.3176 14.3176 17.3859 17.3859 17.6905 17.6905 k = 0.4950 0.3923 0.0082 ( 1112 PWs) bands (ev): -12.3111 -12.3111 -12.2733 -12.2733 -11.2997 -11.2997 -11.2568 -11.2568 -11.1509 -11.1509 2.5512 2.5512 5.5623 5.5623 13.8251 13.8251 14.3047 14.3047 17.4010 17.4010 17.7052 17.7052 k = 0.4900 0.3988 0.0164 ( 1126 PWs) bands (ev): -12.3109 -12.3109 -12.2732 -12.2732 -11.2995 -11.2995 -11.2567 -11.2567 -11.1511 -11.1511 2.5551 2.5551 5.5673 5.5673 13.7869 13.7869 14.2721 14.2721 17.4383 17.4383 17.7549 17.7549 k = 0.4850 0.4053 0.0246 ( 1130 PWs) bands (ev): -12.3106 -12.3106 -12.2732 -12.2732 -11.2993 -11.2993 -11.2566 -11.2566 -11.1514 -11.1514 2.5617 2.5617 5.5757 5.5757 13.7140 13.7140 14.2344 14.2344 17.4793 17.4793 17.8516 17.8516 k = 0.4799 0.4118 0.0328 ( 1130 PWs) bands (ev): -12.3102 -12.3102 -12.2731 -12.2731 -11.2990 -11.2990 -11.2565 -11.2565 -11.1518 -11.1518 2.5709 2.5709 5.5874 5.5874 13.6006 13.6006 14.2055 14.2055 17.5126 17.5126 17.9987 17.9987 k = 0.4749 0.4183 0.0411 ( 1130 PWs) bands (ev): -12.3097 -12.3097 -12.2731 -12.2731 -11.2985 -11.2985 -11.2564 -11.2564 -11.1524 -11.1524 2.5826 2.5826 5.6025 5.6025 13.4493 13.4493 14.1909 14.1909 17.5385 17.5385 18.1875 18.1875 k = 0.4699 0.4248 0.0493 ( 1130 PWs) bands (ev): -12.3091 -12.3091 -12.2730 -12.2730 -11.2980 -11.2980 -11.2562 -11.2562 -11.1531 -11.1531 2.5970 2.5970 5.6210 5.6210 13.2683 13.2683 14.1891 14.1891 17.5608 17.5608 18.4076 18.4076 k = 0.4649 0.4313 0.0575 ( 1130 PWs) bands (ev): -12.3083 -12.3083 -12.2729 -12.2729 -11.2974 -11.2974 -11.2560 -11.2560 -11.1540 -11.1540 2.6140 2.6140 5.6428 5.6428 13.0662 13.0662 14.1971 14.1971 17.5820 17.5820 18.6509 18.6509 k = 0.4599 0.4378 0.0657 ( 1130 PWs) bands (ev): -12.3076 -12.3076 -12.2727 -12.2727 -11.2967 -11.2967 -11.2557 -11.2557 -11.1549 -11.1549 2.6336 2.6336 5.6679 5.6679 12.8494 12.8494 14.2126 14.2126 17.6035 17.6035 18.9119 18.9119 k = 0.4549 0.4443 0.0739 ( 1132 PWs) bands (ev): -12.3067 -12.3067 -12.2726 -12.2726 -11.2960 -11.2960 -11.2554 -11.2554 -11.1560 -11.1560 2.6557 2.6557 5.6963 5.6963 12.6225 12.6225 14.2340 14.2340 17.6263 17.6263 19.1867 19.1867 k = 0.4498 0.4508 0.0821 ( 1132 PWs) bands (ev): -12.3058 -12.3058 -12.2723 -12.2723 -11.2952 -11.2952 -11.2550 -11.2550 -11.1571 -11.1571 2.6803 2.6803 5.7281 5.7281 12.3888 12.3888 14.2603 14.2603 17.6507 17.6507 19.4727 19.4727 k = 0.4448 0.4573 0.0903 ( 1128 PWs) bands (ev): -12.3048 -12.3048 -12.2721 -12.2721 -11.2943 -11.2943 -11.2546 -11.2546 -11.1584 -11.1584 2.7075 2.7075 5.7631 5.7631 12.1505 12.1505 14.2911 14.2911 17.6769 17.6769 19.7677 19.7677 k = 0.4398 0.4638 0.0985 ( 1128 PWs) bands (ev): -12.3039 -12.3039 -12.2718 -12.2718 -11.2934 -11.2934 -11.2541 -11.2541 -11.1597 -11.1597 2.7372 2.7372 5.8015 5.8015 11.9094 11.9094 14.3258 14.3258 17.7052 17.7052 20.0702 20.0702 k = 0.4348 0.4703 0.1068 ( 1128 PWs) bands (ev): -12.3029 -12.3029 -12.2715 -12.2715 -11.2924 -11.2924 -11.2535 -11.2535 -11.1612 -11.1612 2.7693 2.7693 5.8431 5.8431 11.6668 11.6668 14.3643 14.3643 17.7356 17.7356 20.3792 20.3792 k = 0.4298 0.4768 0.1150 ( 1128 PWs) bands (ev): -12.3019 -12.3019 -12.2711 -12.2711 -11.2914 -11.2914 -11.2529 -11.2529 -11.1627 -11.1627 2.8039 2.8039 5.8880 5.8880 11.4236 11.4236 14.4063 14.4063 17.7682 17.7682 20.6938 20.6938 k = 0.4248 0.4833 0.1232 ( 1128 PWs) bands (ev): -12.3009 -12.3009 -12.2706 -12.2706 -11.2904 -11.2904 -11.2521 -11.2521 -11.1642 -11.1642 2.8408 2.8408 5.9361 5.9361 11.1807 11.1807 14.4517 14.4517 17.8031 17.8031 21.0131 21.0131 k = 0.4197 0.4898 0.1314 ( 1128 PWs) bands (ev): -12.3000 -12.3000 -12.2701 -12.2701 -11.2894 -11.2894 -11.2512 -11.2512 -11.1659 -11.1659 2.8801 2.8801 5.9874 5.9874 10.9386 10.9386 14.5004 14.5004 17.8402 17.8402 21.3367 21.3367 k = 0.4147 0.4963 0.1396 ( 1128 PWs) bands (ev): -12.2991 -12.2991 -12.2695 -12.2695 -11.2885 -11.2885 -11.2503 -11.2503 -11.1675 -11.1675 2.9216 2.9216 6.0420 6.0420 10.6980 10.6980 14.5524 14.5524 17.8797 17.8797 21.6640 21.6640 k = 0.4097 0.5028 0.1478 ( 1120 PWs) bands (ev): -12.2983 -12.2983 -12.2688 -12.2688 -11.2875 -11.2875 -11.2492 -11.2492 -11.1692 -11.1692 2.9652 2.9652 6.0998 6.0998 10.4593 10.4593 14.6074 14.6074 17.9216 17.9216 21.9946 21.9946 k = 0.4047 0.5093 0.1560 ( 1130 PWs) bands (ev): -12.2976 -12.2976 -12.2681 -12.2681 -11.2867 -11.2867 -11.2479 -11.2479 -11.1710 -11.1710 3.0110 3.0110 6.1607 6.1607 10.2228 10.2228 14.6655 14.6655 17.9658 17.9658 22.3279 22.3279 k = 0.3997 0.5158 0.1642 ( 1126 PWs) bands (ev): -12.2969 -12.2969 -12.2673 -12.2673 -11.2859 -11.2859 -11.2466 -11.2466 -11.1727 -11.1727 3.0587 3.0587 6.2248 6.2248 9.9890 9.9890 14.7266 14.7266 18.0123 18.0123 22.6637 22.6637 k = 0.3947 0.5223 0.1725 ( 1126 PWs) bands (ev): -12.2963 -12.2963 -12.2664 -12.2664 -11.2851 -11.2851 -11.2451 -11.2451 -11.1744 -11.1744 3.1083 3.1083 6.2920 6.2920 9.7583 9.7583 14.7906 14.7906 18.0613 18.0613 23.0014 23.0014 k = 0.3896 0.5288 0.1807 ( 1122 PWs) bands (ev): -12.2959 -12.2959 -12.2655 -12.2655 -11.2845 -11.2845 -11.2435 -11.2435 -11.1761 -11.1761 3.1595 3.1595 6.3622 6.3622 9.5309 9.5309 14.8575 14.8575 18.1126 18.1126 23.3404 23.3404 k = 0.3846 0.5353 0.1889 ( 1122 PWs) bands (ev): -12.2954 -12.2954 -12.2646 -12.2646 -11.2839 -11.2839 -11.2418 -11.2418 -11.1778 -11.1778 3.2122 3.2122 6.4355 6.4355 9.3073 9.3073 14.9271 14.9271 18.1664 18.1664 23.6801 23.6801 k = 0.3796 0.5418 0.1971 ( 1126 PWs) bands (ev): -12.2951 -12.2951 -12.2636 -12.2636 -11.2835 -11.2835 -11.2401 -11.2401 -11.1795 -11.1795 3.2662 3.2662 6.5118 6.5118 9.0880 9.0880 14.9995 14.9995 18.2226 18.2226 24.0194 24.0194 k = 0.3746 0.5483 0.2053 ( 1122 PWs) bands (ev): -12.2949 -12.2949 -12.2626 -12.2626 -11.2831 -11.2831 -11.2382 -11.2382 -11.1810 -11.1810 3.3211 3.3211 6.5910 6.5910 8.8732 8.8732 15.0745 15.0745 18.2811 18.2811 24.3567 24.3567 k = 0.3696 0.5548 0.2135 ( 1122 PWs) bands (ev): -12.2947 -12.2947 -12.2616 -12.2616 -11.2828 -11.2828 -11.2363 -11.2363 -11.1825 -11.1825 3.3767 3.3767 6.6731 6.6731 8.6636 8.6636 15.1521 15.1521 18.3422 18.3422 24.6893 24.6893 k = 0.3646 0.5613 0.2217 ( 1122 PWs) bands (ev): -12.2946 -12.2946 -12.2605 -12.2605 -11.2826 -11.2826 -11.2344 -11.2344 -11.1839 -11.1839 3.4325 3.4325 6.7578 6.7578 8.4599 8.4599 15.2321 15.2321 18.4056 18.4056 25.0116 25.0116 k = 0.3595 0.5678 0.2299 ( 1118 PWs) bands (ev): -12.2945 -12.2945 -12.2595 -12.2595 -11.2825 -11.2825 -11.2326 -11.2326 -11.1851 -11.1851 3.4881 3.4881 6.8449 6.8449 8.2627 8.2627 15.3146 15.3146 18.4715 18.4715 25.3092 25.3092 k = 0.3545 0.5743 0.2382 ( 1112 PWs) bands (ev): -12.2945 -12.2945 -12.2586 -12.2586 -11.2825 -11.2825 -11.2308 -11.2308 -11.1861 -11.1861 3.5428 3.5428 6.9341 6.9341 8.0732 8.0732 15.3994 15.3994 18.5398 18.5398 25.5162 25.5162 k = 0.3495 0.5808 0.2464 ( 1104 PWs) bands (ev): -12.2946 -12.2946 -12.2576 -12.2576 -11.2825 -11.2825 -11.2292 -11.2292 -11.1869 -11.1869 3.5960 3.5960 7.0244 7.0244 7.8930 7.8930 15.4864 15.4864 18.6106 18.6106 25.4473 25.4473 k = 0.3445 0.5873 0.2546 ( 1104 PWs) bands (ev): -12.2946 -12.2946 -12.2567 -12.2567 -11.2826 -11.2826 -11.2277 -11.2277 -11.1875 -11.1875 3.6468 3.6468 7.1133 7.1133 7.7256 7.7256 15.5756 15.5756 18.6838 18.6838 25.2578 25.2578 k = 0.3395 0.5938 0.2628 ( 1104 PWs) bands (ev): -12.2948 -12.2948 -12.2559 -12.2559 -11.2828 -11.2828 -11.2264 -11.2264 -11.1878 -11.1878 3.6941 3.6941 7.1928 7.1928 7.5800 7.5800 15.6667 15.6667 18.7594 18.7594 25.0527 25.0527 k = 0.3345 0.6003 0.2710 ( 1104 PWs) bands (ev): -12.2949 -12.2949 -12.2551 -12.2551 -11.2830 -11.2830 -11.2254 -11.2254 -11.1879 -11.1879 3.7369 3.7369 7.2286 7.2286 7.4918 7.4918 15.7597 15.7597 18.8374 18.8374 24.8452 24.8452 k = 0.3294 0.6069 0.2792 ( 1104 PWs) bands (ev): -12.2951 -12.2951 -12.2543 -12.2543 -11.2833 -11.2833 -11.2247 -11.2247 -11.1876 -11.1876 3.7736 3.7736 7.1683 7.1683 7.5148 7.5148 15.8545 15.8545 18.9179 18.9179 24.6382 24.6382 k = 0.3244 0.6134 0.2874 ( 1108 PWs) bands (ev): -12.2953 -12.2953 -12.2536 -12.2536 -11.2835 -11.2835 -11.2242 -11.2242 -11.1871 -11.1871 3.8027 3.8027 7.0635 7.0635 7.5989 7.5989 15.9508 15.9508 19.0008 19.0008 24.4325 24.4325 k = 0.3244 0.6134 0.2874 ( 1108 PWs) bands (ev): -12.2953 -12.2953 -12.2536 -12.2536 -11.2835 -11.2835 -11.2242 -11.2242 -11.1871 -11.1871 3.8027 3.8027 7.0635 7.0635 7.5989 7.5989 15.9508 15.9508 19.0008 19.0008 24.4325 24.4325 k = 0.3140 0.6102 0.2914 ( 1110 PWs) bands (ev): -12.2954 -12.2954 -12.2533 -12.2533 -11.2837 -11.2837 -11.2241 -11.2241 -11.1867 -11.1867 3.8105 3.8105 7.0033 7.0033 7.6619 7.6619 15.9985 15.9985 19.0421 19.0421 24.2829 24.2829 k = 0.3035 0.6071 0.2953 ( 1110 PWs) bands (ev): -12.2956 -12.2956 -12.2530 -12.2530 -11.2839 -11.2839 -11.2240 -11.2240 -11.1863 -11.1863 3.8107 3.8107 6.9318 6.9318 7.7525 7.7525 16.0483 16.0483 19.0853 19.0853 24.0535 24.0535 k = 0.2930 0.6040 0.2992 ( 1110 PWs) bands (ev): -12.2957 -12.2957 -12.2528 -12.2528 -11.2841 -11.2841 -11.2241 -11.2241 -11.1858 -11.1858 3.8042 3.8042 6.8551 6.8551 7.8637 7.8637 16.1003 16.1003 19.1305 19.1305 23.7796 23.7796 k = 0.2826 0.6009 0.3031 ( 1110 PWs) bands (ev): -12.2959 -12.2959 -12.2525 -12.2525 -11.2843 -11.2843 -11.2242 -11.2242 -11.1852 -11.1852 3.7921 3.7921 6.7765 6.7765 7.9911 7.9911 16.1543 16.1543 19.1774 19.1774 23.4833 23.4833 k = 0.2721 0.5978 0.3071 ( 1113 PWs) bands (ev): -12.2961 -12.2961 -12.2523 -12.2523 -11.2846 -11.2846 -11.2244 -11.2244 -11.1846 -11.1846 3.7752 3.7752 6.6980 6.6980 8.1317 8.1317 16.2102 16.2102 19.2257 19.2257 23.1757 23.1757 k = 0.2616 0.5947 0.3110 ( 1115 PWs) bands (ev): -12.2963 -12.2963 -12.2521 -12.2521 -11.2849 -11.2849 -11.2247 -11.2247 -11.1839 -11.1839 3.7543 3.7543 6.6207 6.6207 8.2836 8.2836 16.2679 16.2679 19.2753 19.2753 22.8630 22.8630 k = 0.2512 0.5916 0.3149 ( 1114 PWs) bands (ev): -12.2965 -12.2965 -12.2519 -12.2519 -11.2852 -11.2852 -11.2250 -11.2250 -11.1831 -11.1831 3.7304 3.7304 6.5451 6.5451 8.4453 8.4453 16.3273 16.3273 19.3255 19.3255 22.5489 22.5489 k = 0.2407 0.5885 0.3189 ( 1114 PWs) bands (ev): -12.2967 -12.2967 -12.2518 -12.2518 -11.2855 -11.2855 -11.2253 -11.2253 -11.1824 -11.1824 3.7041 3.7041 6.4717 6.4717 8.6154 8.6154 16.3881 16.3881 19.3758 19.3758 22.2360 22.2360 k = 0.2302 0.5854 0.3228 ( 1114 PWs) bands (ev): -12.2969 -12.2969 -12.2516 -12.2516 -11.2859 -11.2859 -11.2257 -11.2257 -11.1816 -11.1816 3.6761 3.6761 6.4008 6.4008 8.7930 8.7930 16.4503 16.4503 19.4250 19.4250 21.9267 21.9267 k = 0.2198 0.5822 0.3267 ( 1114 PWs) bands (ev): -12.2972 -12.2972 -12.2515 -12.2515 -11.2863 -11.2863 -11.2261 -11.2261 -11.1807 -11.1807 3.6468 3.6468 6.3325 6.3325 8.9773 8.9773 16.5135 16.5135 19.4713 19.4713 21.6238 21.6238 k = 0.2093 0.5791 0.3307 ( 1113 PWs) bands (ev): -12.2974 -12.2974 -12.2514 -12.2514 -11.2867 -11.2867 -11.2265 -11.2265 -11.1799 -11.1799 3.6169 3.6169 6.2671 6.2671 9.1674 9.1674 16.5777 16.5777 19.5116 19.5116 21.3310 21.3310 k = 0.1988 0.5760 0.3346 ( 1115 PWs) bands (ev): -12.2977 -12.2977 -12.2513 -12.2513 -11.2871 -11.2871 -11.2269 -11.2269 -11.1790 -11.1790 3.5867 3.5867 6.2044 6.2044 9.3627 9.3627 16.6425 16.6425 19.5403 19.5403 21.0544 21.0544 k = 0.1884 0.5729 0.3385 ( 1115 PWs) bands (ev): -12.2979 -12.2979 -12.2512 -12.2512 -11.2875 -11.2875 -11.2273 -11.2273 -11.1782 -11.1782 3.5567 3.5567 6.1448 6.1448 9.5624 9.5624 16.7077 16.7077 19.5473 19.5473 20.8047 20.8047 k = 0.1779 0.5698 0.3424 ( 1115 PWs) bands (ev): -12.2982 -12.2982 -12.2511 -12.2511 -11.2879 -11.2879 -11.2277 -11.2277 -11.1773 -11.1773 3.5270 3.5270 6.0881 6.0881 9.7660 9.7660 16.7730 16.7730 19.5153 19.5153 20.5997 20.5997 k = 0.1674 0.5667 0.3464 ( 1115 PWs) bands (ev): -12.2984 -12.2984 -12.2510 -12.2510 -11.2883 -11.2883 -11.2280 -11.2280 -11.1765 -11.1765 3.4980 3.4980 6.0345 6.0345 9.9728 9.9728 16.8381 16.8381 19.4237 19.4237 20.4603 20.4603 k = 0.1570 0.5636 0.3503 ( 1113 PWs) bands (ev): -12.2987 -12.2987 -12.2510 -12.2510 -11.2888 -11.2888 -11.2284 -11.2284 -11.1757 -11.1757 3.4699 3.4699 5.9840 5.9840 10.1823 10.1823 16.9026 16.9026 19.2657 19.2657 20.3940 20.3940 k = 0.1465 0.5605 0.3542 ( 1115 PWs) bands (ev): -12.2989 -12.2989 -12.2509 -12.2509 -11.2892 -11.2892 -11.2288 -11.2288 -11.1749 -11.1749 3.4430 3.4430 5.9367 5.9367 10.3936 10.3936 16.9661 16.9661 19.0568 19.0568 20.3857 20.3857 k = 0.1360 0.5574 0.3582 ( 1112 PWs) bands (ev): -12.2992 -12.2992 -12.2508 -12.2508 -11.2896 -11.2896 -11.2291 -11.2291 -11.1741 -11.1741 3.4173 3.4173 5.8925 5.8925 10.6061 10.6061 17.0280 17.0280 18.8191 18.8191 20.4141 20.4141 k = 0.1256 0.5542 0.3621 ( 1113 PWs) bands (ev): -12.2994 -12.2994 -12.2508 -12.2508 -11.2900 -11.2900 -11.2294 -11.2294 -11.1734 -11.1734 3.3931 3.3931 5.8515 5.8515 10.8190 10.8190 17.0877 17.0877 18.5681 18.5681 20.4645 20.4645 k = 0.1151 0.5511 0.3660 ( 1117 PWs) bands (ev): -12.2996 -12.2996 -12.2508 -12.2508 -11.2904 -11.2904 -11.2297 -11.2297 -11.1728 -11.1728 3.3704 3.3704 5.8137 5.8137 11.0311 11.0311 17.1443 17.1443 18.3135 18.3135 20.5283 20.5283 k = 0.1047 0.5480 0.3699 ( 1119 PWs) bands (ev): -12.2999 -12.2999 -12.2507 -12.2507 -11.2908 -11.2908 -11.2300 -11.2300 -11.1721 -11.1721 3.3495 3.3495 5.7792 5.7792 11.2413 11.2413 17.1963 17.1963 18.0619 18.0619 20.6009 20.6009 k = 0.0942 0.5449 0.3739 ( 1124 PWs) bands (ev): -12.3001 -12.3001 -12.2507 -12.2507 -11.2911 -11.2911 -11.2302 -11.2302 -11.1715 -11.1715 3.3302 3.3302 5.7478 5.7478 11.4481 11.4481 17.2402 17.2402 17.8203 17.8203 20.6794 20.6794 k = 0.0837 0.5418 0.3778 ( 1125 PWs) bands (ev): -12.3002 -12.3002 -12.2507 -12.2507 -11.2914 -11.2914 -11.2304 -11.2304 -11.1710 -11.1710 3.3128 3.3128 5.7198 5.7198 11.6497 11.6497 17.2636 17.2636 17.6038 17.6038 20.7620 20.7620 k = 0.0733 0.5387 0.3817 ( 1125 PWs) bands (ev): -12.3004 -12.3004 -12.2507 -12.2507 -11.2917 -11.2917 -11.2306 -11.2306 -11.1705 -11.1705 3.2973 3.2973 5.6950 5.6950 11.8436 11.8436 17.2128 17.2128 17.4687 17.4687 20.8470 20.8470 k = 0.0628 0.5356 0.3857 ( 1125 PWs) bands (ev): -12.3005 -12.3005 -12.2507 -12.2507 -11.2920 -11.2920 -11.2308 -11.2308 -11.1701 -11.1701 3.2838 3.2838 5.6735 5.6735 12.0270 12.0270 17.0547 17.0547 17.4513 17.4513 20.9329 20.9329 k = 0.0523 0.5325 0.3896 ( 1123 PWs) bands (ev): -12.3007 -12.3007 -12.2507 -12.2507 -11.2922 -11.2922 -11.2309 -11.2309 -11.1698 -11.1698 3.2723 3.2723 5.6553 5.6553 12.1961 12.1961 16.8739 16.8739 17.4702 17.4702 21.0178 21.0178 k = 0.0419 0.5294 0.3935 ( 1122 PWs) bands (ev): -12.3008 -12.3008 -12.2506 -12.2506 -11.2924 -11.2924 -11.2310 -11.2310 -11.1695 -11.1695 3.2628 3.2628 5.6404 5.6404 12.3463 12.3463 16.7071 16.7071 17.4934 17.4934 21.0993 21.0993 k = 0.0314 0.5262 0.3975 ( 1124 PWs) bands (ev): -12.3009 -12.3009 -12.2506 -12.2506 -11.2925 -11.2925 -11.2311 -11.2311 -11.1692 -11.1692 3.2555 3.2555 5.6288 5.6288 12.4723 12.4723 16.5662 16.5662 17.5138 17.5138 21.1737 21.1737 k = 0.0209 0.5231 0.4014 ( 1126 PWs) bands (ev): -12.3009 -12.3009 -12.2506 -12.2506 -11.2926 -11.2926 -11.2312 -11.2312 -11.1691 -11.1691 3.2502 3.2502 5.6205 5.6205 12.5681 12.5681 16.4590 16.4590 17.5293 17.5293 21.2356 21.2356 k = 0.0105 0.5200 0.4053 ( 1126 PWs) bands (ev): -12.3009 -12.3009 -12.2506 -12.2506 -11.2927 -11.2927 -11.2312 -11.2312 -11.1690 -11.1690 3.2470 3.2470 5.6156 5.6156 12.6283 12.6283 16.3917 16.3917 17.5389 17.5389 21.2776 21.2776 k = 0.0000 0.5169 0.4092 ( 1126 PWs) bands (ev): -12.3010 -12.3010 -12.2506 -12.2506 -11.2927 -11.2927 -11.2312 -11.2312 -11.1689 -11.1689 3.2459 3.2459 5.6139 5.6139 12.6489 12.6489 16.3687 16.3687 17.5421 17.5421 21.2927 21.2927 k = 0.0000 0.5169 0.4092 ( 1126 PWs) bands (ev): -12.3010 -12.3010 -12.2506 -12.2506 -11.2927 -11.2927 -11.2312 -11.2312 -11.1689 -11.1689 3.2459 3.2459 5.6139 5.6139 12.6489 12.6489 16.3687 16.3687 17.5421 17.5421 21.2927 21.2927 k = 0.0050 0.5104 0.4174 ( 1128 PWs) bands (ev): -12.3009 -12.3009 -12.2506 -12.2506 -11.2927 -11.2927 -11.2312 -11.2312 -11.1690 -11.1690 3.2473 3.2473 5.6155 5.6155 12.6498 12.6498 16.3699 16.3699 17.5222 17.5222 21.2355 21.2355 k = 0.0100 0.5039 0.4256 ( 1128 PWs) bands (ev): -12.3007 -12.3007 -12.2506 -12.2506 -11.2924 -11.2924 -11.2313 -11.2313 -11.1691 -11.1691 3.2517 3.2517 5.6201 5.6201 12.6525 12.6525 16.3735 16.3735 17.4636 17.4636 21.0893 21.0893 k = 0.0150 0.4975 0.4338 ( 1128 PWs) bands (ev): -12.3005 -12.3005 -12.2506 -12.2506 -11.2921 -11.2921 -11.2313 -11.2313 -11.1692 -11.1692 3.2589 3.2589 5.6280 5.6280 12.6569 12.6569 16.3795 16.3795 17.3694 17.3694 20.8951 20.8951 k = 0.0200 0.4910 0.4420 ( 1128 PWs) bands (ev): -12.3001 -12.3001 -12.2506 -12.2506 -11.2916 -11.2916 -11.2314 -11.2314 -11.1694 -11.1694 3.2689 3.2689 5.6389 5.6389 12.6630 12.6630 16.3879 16.3879 17.2439 17.2439 20.6781 20.6781 k = 0.0250 0.4845 0.4502 ( 1128 PWs) bands (ev): -12.2997 -12.2997 -12.2506 -12.2506 -11.2910 -11.2910 -11.2314 -11.2314 -11.1697 -11.1697 3.2819 3.2819 5.6529 5.6529 12.6707 12.6707 16.3986 16.3986 17.0920 17.0920 20.4507 20.4507 k = 0.0300 0.4780 0.4584 ( 1126 PWs) bands (ev): -12.2991 -12.2991 -12.2506 -12.2506 -11.2903 -11.2903 -11.2315 -11.2315 -11.1700 -11.1700 3.2977 3.2977 5.6701 5.6701 12.6800 12.6800 16.4115 16.4115 16.9186 16.9186 20.2189 20.2189 k = 0.0350 0.4715 0.4665 ( 1124 PWs) bands (ev): -12.2985 -12.2985 -12.2506 -12.2506 -11.2895 -11.2895 -11.2316 -11.2316 -11.1703 -11.1703 3.3164 3.3164 5.6903 5.6903 12.6906 12.6906 16.4263 16.4263 16.7283 16.7283 19.9861 19.9861 k = 0.0400 0.4651 0.4747 ( 1124 PWs) bands (ev): -12.2977 -12.2977 -12.2506 -12.2506 -11.2885 -11.2885 -11.2317 -11.2317 -11.1707 -11.1707 3.3380 3.3380 5.7136 5.7136 12.7025 12.7025 16.4380 16.4380 16.5297 16.5297 19.7543 19.7543 k = 0.0450 0.4586 0.4829 ( 1120 PWs) bands (ev): -12.2970 -12.2970 -12.2506 -12.2506 -11.2874 -11.2874 -11.2318 -11.2318 -11.1711 -11.1711 3.3625 3.3625 5.7400 5.7400 12.7154 12.7154 16.3007 16.3007 16.4719 16.4719 19.5246 19.5246 k = 0.0500 0.4521 0.4911 ( 1120 PWs) bands (ev): -12.2961 -12.2961 -12.2506 -12.2506 -11.2862 -11.2862 -11.2319 -11.2319 -11.1715 -11.1715 3.3899 3.3899 5.7694 5.7694 12.7291 12.7291 16.0794 16.0794 16.4923 16.4923 19.2980 19.2980 k = 0.0550 0.4456 0.4993 ( 1120 PWs) bands (ev): -12.2952 -12.2952 -12.2505 -12.2505 -11.2850 -11.2850 -11.2321 -11.2321 -11.1719 -11.1719 3.4202 3.4202 5.8019 5.8019 12.7434 12.7434 15.8500 15.8500 16.5171 16.5171 19.0751 19.0751 k = 0.0600 0.4391 0.5075 ( 1120 PWs) bands (ev): -12.2942 -12.2942 -12.2505 -12.2505 -11.2837 -11.2837 -11.2322 -11.2322 -11.1723 -11.1723 3.4534 3.4534 5.8373 5.8373 12.7579 12.7579 15.6157 15.6157 16.5447 16.5447 18.8567 18.8567 k = 0.0650 0.4327 0.5157 ( 1120 PWs) bands (ev): -12.2932 -12.2932 -12.2505 -12.2505 -11.2823 -11.2823 -11.2323 -11.2323 -11.1727 -11.1727 3.4895 3.4895 5.8758 5.8758 12.7722 12.7722 15.3781 15.3781 16.5749 16.5749 18.6431 18.6431 k = 0.0700 0.4262 0.5238 ( 1120 PWs) bands (ev): -12.2922 -12.2922 -12.2504 -12.2504 -11.2809 -11.2809 -11.2324 -11.2324 -11.1730 -11.1730 3.5285 3.5285 5.9171 5.9171 12.7859 12.7859 15.1385 15.1385 16.6075 16.6075 18.4350 18.4350 k = 0.0750 0.4197 0.5320 ( 1122 PWs) bands (ev): -12.2911 -12.2911 -12.2504 -12.2504 -11.2794 -11.2794 -11.2325 -11.2325 -11.1733 -11.1733 3.5704 3.5704 5.9614 5.9614 12.7984 12.7984 14.8979 14.8979 16.6426 16.6426 18.2330 18.2330 k = 0.0800 0.4132 0.5402 ( 1122 PWs) bands (ev): -12.2901 -12.2901 -12.2503 -12.2503 -11.2780 -11.2780 -11.2326 -11.2326 -11.1735 -11.1735 3.6152 3.6152 6.0086 6.0086 12.8091 12.8091 14.6572 14.6572 16.6802 16.6802 18.0377 18.0377 k = 0.0850 0.4067 0.5484 ( 1122 PWs) bands (ev): -12.2890 -12.2890 -12.2502 -12.2502 -11.2766 -11.2766 -11.2326 -11.2326 -11.1736 -11.1736 3.6630 3.6630 6.0586 6.0586 12.8171 12.8171 14.4172 14.4172 16.7203 16.7203 17.8495 17.8495 k = 0.0900 0.4003 0.5566 ( 1120 PWs) bands (ev): -12.2880 -12.2880 -12.2502 -12.2502 -11.2753 -11.2753 -11.2326 -11.2326 -11.1736 -11.1736 3.7136 3.7136 6.1114 6.1114 12.8212 12.8212 14.1791 14.1791 16.7628 16.7628 17.6694 17.6694 k = 0.0950 0.3938 0.5648 ( 1120 PWs) bands (ev): -12.2870 -12.2870 -12.2501 -12.2501 -11.2741 -11.2741 -11.2325 -11.2325 -11.1735 -11.1735 3.7672 3.7672 6.1670 6.1670 12.8200 12.8200 13.9441 13.9441 16.8076 16.8076 17.4980 17.4980 k = 0.1000 0.3873 0.5729 ( 1114 PWs) bands (ev): -12.2860 -12.2860 -12.2500 -12.2500 -11.2730 -11.2730 -11.2323 -11.2323 -11.1733 -11.1733 3.8236 3.8236 6.2253 6.2253 12.8109 12.8109 13.7143 13.7143 16.8549 16.8549 17.3363 17.3363 k = 0.1050 0.3808 0.5811 ( 1112 PWs) bands (ev): -12.2850 -12.2850 -12.2499 -12.2499 -11.2720 -11.2720 -11.2320 -11.2320 -11.1729 -11.1729 3.8830 3.8830 6.2862 6.2862 12.7897 12.7897 13.4934 13.4934 16.9042 16.9042 17.1852 17.1852 k = 0.1100 0.3743 0.5893 ( 1112 PWs) bands (ev): -12.2841 -12.2841 -12.2497 -12.2497 -11.2713 -11.2713 -11.2315 -11.2315 -11.1724 -11.1724 3.9452 3.9452 6.3498 6.3498 12.7480 12.7480 13.2893 13.2893 16.9535 16.9535 17.0478 17.0478 k = 0.1150 0.3679 0.5975 ( 1112 PWs) bands (ev): -12.2832 -12.2832 -12.2496 -12.2496 -11.2708 -11.2708 -11.2310 -11.2310 -11.1717 -11.1717 4.0104 4.0104 6.4158 6.4158 12.6701 12.6701 13.1172 13.1172 16.9108 16.9108 17.0170 17.0170 k = 0.1200 0.3614 0.6057 ( 1116 PWs) bands (ev): -12.2823 -12.2823 -12.2495 -12.2495 -11.2704 -11.2704 -11.2303 -11.2303 -11.1709 -11.1709 4.0784 4.0784 6.4844 6.4844 12.5399 12.5399 12.9923 12.9923 16.7978 16.7978 17.0718 17.0718 k = 0.1250 0.3549 0.6139 ( 1116 PWs) bands (ev): -12.2816 -12.2816 -12.2493 -12.2493 -11.2703 -11.2703 -11.2296 -11.2296 -11.1699 -11.1699 4.1492 4.1492 6.5552 6.5552 12.3645 12.3645 12.9075 12.9075 16.6966 16.6966 17.1310 17.1310 k = 0.1300 0.3484 0.6221 ( 1116 PWs) bands (ev): -12.2808 -12.2808 -12.2492 -12.2492 -11.2704 -11.2704 -11.2287 -11.2287 -11.1687 -11.1687 4.2229 4.2229 6.6284 6.6284 12.1648 12.1648 12.8410 12.8410 16.6094 16.6094 17.1929 17.1929 k = 0.1350 0.3419 0.6302 ( 1116 PWs) bands (ev): -12.2802 -12.2802 -12.2490 -12.2490 -11.2707 -11.2707 -11.2278 -11.2278 -11.1673 -11.1673 4.2993 4.2993 6.7038 6.7038 11.9551 11.9551 12.7786 12.7786 16.5368 16.5368 17.2574 17.2574 k = 0.1400 0.3355 0.6384 ( 1114 PWs) bands (ev): -12.2795 -12.2795 -12.2489 -12.2489 -11.2711 -11.2711 -11.2269 -11.2269 -11.1657 -11.1657 4.3785 4.3785 6.7812 6.7812 11.7418 11.7418 12.7138 12.7138 16.4791 16.4791 17.3244 17.3244 k = 0.1450 0.3290 0.6466 ( 1118 PWs) bands (ev): -12.2790 -12.2790 -12.2487 -12.2487 -11.2717 -11.2717 -11.2259 -11.2259 -11.1640 -11.1640 4.4604 4.4604 6.8606 6.8606 11.5281 11.5281 12.6436 12.6436 16.4363 16.4363 17.3938 17.3938 k = 0.1500 0.3225 0.6548 ( 1112 PWs) bands (ev): -12.2785 -12.2785 -12.2486 -12.2486 -11.2725 -11.2725 -11.2250 -11.2250 -11.1621 -11.1621 4.5449 4.5449 6.9417 6.9417 11.3156 11.3156 12.5670 12.5670 16.4082 16.4082 17.4656 17.4656 k = 0.1550 0.3160 0.6630 ( 1114 PWs) bands (ev): -12.2780 -12.2780 -12.2484 -12.2484 -11.2733 -11.2733 -11.2240 -11.2240 -11.1601 -11.1601 4.6320 4.6320 7.0245 7.0245 11.1052 11.1052 12.4838 12.4838 16.3943 16.3943 17.5398 17.5398 k = 0.1600 0.3095 0.6712 ( 1112 PWs) bands (ev): -12.2776 -12.2776 -12.2483 -12.2483 -11.2742 -11.2742 -11.2232 -11.2232 -11.1580 -11.1580 4.7215 4.7215 7.1086 7.1086 10.8975 10.8975 12.3943 12.3943 16.3938 16.3938 17.6163 17.6163 k = 0.1650 0.3031 0.6793 ( 1112 PWs) bands (ev): -12.2772 -12.2772 -12.2481 -12.2481 -11.2751 -11.2751 -11.2223 -11.2223 -11.1558 -11.1558 4.8134 4.8134 7.1940 7.1940 10.6931 10.6931 12.2991 12.2991 16.4059 16.4059 17.6951 17.6951 k = 0.1700 0.2966 0.6875 ( 1110 PWs) bands (ev): -12.2769 -12.2769 -12.2480 -12.2480 -11.2761 -11.2761 -11.2215 -11.2215 -11.1535 -11.1535 4.9074 4.9074 7.2803 7.2803 10.4924 10.4924 12.1991 12.1991 16.4298 16.4298 17.7761 17.7761 k = 0.1750 0.2901 0.6957 ( 1110 PWs) bands (ev): -12.2766 -12.2766 -12.2479 -12.2479 -11.2771 -11.2771 -11.2208 -11.2208 -11.1513 -11.1513 5.0035 5.0035 7.3672 7.3672 10.2957 10.2957 12.0953 12.0953 16.4643 16.4643 17.8593 17.8593 k = 0.1800 0.2836 0.7039 ( 1108 PWs) bands (ev): -12.2764 -12.2764 -12.2478 -12.2478 -11.2781 -11.2781 -11.2201 -11.2201 -11.1490 -11.1490 5.1013 5.1013 7.4543 7.4543 10.1036 10.1036 11.9887 11.9887 16.5084 16.5084 17.9445 17.9445 k = 0.1850 0.2771 0.7121 ( 1110 PWs) bands (ev): -12.2762 -12.2762 -12.2477 -12.2477 -11.2791 -11.2791 -11.2195 -11.2195 -11.1467 -11.1467 5.2006 5.2006 7.5412 7.5412 9.9164 9.9164 11.8804 11.8804 16.5612 16.5612 18.0316 18.0316 k = 0.1900 0.2707 0.7203 ( 1112 PWs) bands (ev): -12.2760 -12.2760 -12.2476 -12.2476 -11.2801 -11.2801 -11.2189 -11.2189 -11.1445 -11.1445 5.3010 5.3010 7.6273 7.6273 9.7348 9.7348 11.7716 11.7716 16.6215 16.6215 18.1205 18.1205 k = 0.1950 0.2642 0.7285 ( 1112 PWs) bands (ev): -12.2758 -12.2758 -12.2475 -12.2475 -11.2810 -11.2810 -11.2184 -11.2184 -11.1423 -11.1423 5.4021 5.4021 7.7120 7.7120 9.5593 9.5593 11.6634 11.6634 16.6883 16.6883 18.2109 18.2109 k = 0.2000 0.2577 0.7366 ( 1114 PWs) bands (ev): -12.2757 -12.2757 -12.2474 -12.2474 -11.2819 -11.2819 -11.2180 -11.2180 -11.1403 -11.1403 5.5033 5.5033 7.7943 7.7943 9.3909 9.3909 11.5570 11.5570 16.7604 16.7604 18.3025 18.3025 k = 0.2050 0.2512 0.7448 ( 1112 PWs) bands (ev): -12.2756 -12.2756 -12.2474 -12.2474 -11.2827 -11.2827 -11.2176 -11.2176 -11.1383 -11.1383 5.6038 5.6038 7.8734 7.8734 9.2306 9.2306 11.4537 11.4537 16.8367 16.8367 18.3949 18.3949 k = 0.2100 0.2447 0.7530 ( 1112 PWs) bands (ev): -12.2755 -12.2755 -12.2473 -12.2473 -11.2835 -11.2835 -11.2172 -11.2172 -11.1366 -11.1366 5.7027 5.7027 7.9477 7.9477 9.0800 9.0800 11.3549 11.3549 16.9159 16.9159 18.4876 18.4876 k = 0.2150 0.2383 0.7612 ( 1118 PWs) bands (ev): -12.2754 -12.2754 -12.2473 -12.2473 -11.2842 -11.2842 -11.2169 -11.2169 -11.1349 -11.1349 5.7986 5.7986 8.0155 8.0155 8.9409 8.9409 11.2618 11.2618 16.9963 16.9963 18.5796 18.5796 k = 0.2200 0.2318 0.7694 ( 1118 PWs) bands (ev): -12.2753 -12.2753 -12.2473 -12.2473 -11.2848 -11.2848 -11.2167 -11.2167 -11.1335 -11.1335 5.8901 5.8901 8.0744 8.0744 8.8164 8.8164 11.1762 11.1762 17.0761 17.0761 18.6699 18.6699 k = 0.2250 0.2253 0.7776 ( 1118 PWs) bands (ev): -12.2753 -12.2753 -12.2472 -12.2472 -11.2853 -11.2853 -11.2164 -11.2164 -11.1323 -11.1323 5.9751 5.9751 8.1211 8.1211 8.7102 8.7102 11.0996 11.0996 17.1530 17.1530 18.7568 18.7568 k = 0.2300 0.2188 0.7858 ( 1116 PWs) bands (ev): -12.2753 -12.2753 -12.2472 -12.2472 -11.2857 -11.2857 -11.2163 -11.2163 -11.1312 -11.1312 6.0511 6.0511 8.1520 8.1520 8.6271 8.6271 11.0337 11.0337 17.2242 17.2242 18.8376 18.8376 k = 0.2350 0.2123 0.7939 ( 1112 PWs) bands (ev): -12.2752 -12.2752 -12.2472 -12.2472 -11.2861 -11.2861 -11.2161 -11.2161 -11.1304 -11.1304 6.1151 6.1151 8.1648 8.1648 8.5709 8.5709 10.9802 10.9802 17.2861 17.2861 18.9087 18.9087 k = 0.2400 0.2059 0.8021 ( 1112 PWs) bands (ev): -12.2752 -12.2752 -12.2472 -12.2472 -11.2863 -11.2863 -11.2160 -11.2160 -11.1298 -11.1298 6.1641 6.1641 8.1627 8.1627 8.5399 8.5399 10.9406 10.9406 17.3347 17.3347 18.9646 18.9646 k = 0.2450 0.1994 0.8103 ( 1110 PWs) bands (ev): -12.2752 -12.2752 -12.2472 -12.2472 -11.2865 -11.2865 -11.2160 -11.2160 -11.1295 -11.1295 6.1950 6.1950 8.1551 8.1551 8.5268 8.5268 10.9163 10.9163 17.3660 17.3660 18.9963 18.9963 k = 0.2500 0.1929 0.8185 ( 1108 PWs) bands (ev): -12.2752 -12.2752 -12.2472 -12.2472 -11.2865 -11.2865 -11.2160 -11.2160 -11.1294 -11.1294 6.2055 6.2055 8.1514 8.1514 8.5234 8.5234 10.9081 10.9081 17.3768 17.3768 19.0013 19.0013 k = 0.2500 0.1929 0.8185 ( 1108 PWs) bands (ev): -12.2752 -12.2752 -12.2472 -12.2472 -11.2865 -11.2865 -11.2160 -11.2160 -11.1294 -11.1294 6.2055 6.2055 8.1514 8.1514 8.5234 8.5234 10.9081 10.9081 17.3768 17.3768 19.0013 19.0013 k = 0.2571 0.1984 0.8115 ( 1108 PWs) bands (ev): -12.2752 -12.2752 -12.2472 -12.2472 -11.2865 -11.2865 -11.2159 -11.2159 -11.1294 -11.1294 6.2017 6.2017 8.1442 8.1442 8.5339 8.5339 10.9128 10.9128 17.3608 17.3608 18.8525 18.8525 k = 0.2643 0.2039 0.8046 ( 1109 PWs) bands (ev): -12.2753 -12.2753 -12.2471 -12.2471 -11.2865 -11.2865 -11.2160 -11.2160 -11.1295 -11.1295 6.1912 6.1912 8.1239 8.1239 8.5628 8.5628 10.9274 10.9274 17.3089 17.3089 18.7009 18.7009 k = 0.2714 0.2094 0.7976 ( 1111 PWs) bands (ev): -12.2753 -12.2753 -12.2471 -12.2471 -11.2864 -11.2864 -11.2160 -11.2160 -11.1296 -11.1296 6.1753 6.1753 8.0945 8.0945 8.6039 8.6039 10.9524 10.9524 17.2178 17.2178 18.5742 18.5742 k = 0.2786 0.2149 0.7906 ( 1111 PWs) bands (ev): -12.2754 -12.2754 -12.2471 -12.2471 -11.2862 -11.2862 -11.2161 -11.2161 -11.1298 -11.1298 6.1551 6.1551 8.0602 8.0602 8.6512 8.6512 10.9881 10.9881 17.0890 17.0890 18.4755 18.4755 k = 0.2857 0.2205 0.7837 ( 1111 PWs) bands (ev): -12.2755 -12.2755 -12.2471 -12.2471 -11.2861 -11.2861 -11.2162 -11.2162 -11.1301 -11.1301 6.1317 6.1317 8.0238 8.0238 8.7003 8.7003 11.0346 11.0346 16.9289 16.9289 18.4020 18.4020 k = 0.2929 0.2260 0.7767 ( 1113 PWs) bands (ev): -12.2755 -12.2755 -12.2471 -12.2471 -11.2858 -11.2858 -11.2164 -11.2164 -11.1304 -11.1304 6.1060 6.1060 7.9872 7.9872 8.7482 8.7482 11.0916 11.0916 16.7462 16.7462 18.3479 18.3479 k = 0.3000 0.2315 0.7698 ( 1113 PWs) bands (ev): -12.2756 -12.2756 -12.2471 -12.2471 -11.2856 -11.2856 -11.2166 -11.2166 -11.1308 -11.1308 6.0786 6.0786 7.9514 7.9514 8.7933 8.7933 11.1582 11.1582 16.5494 16.5494 18.3076 18.3076 k = 0.3071 0.2370 0.7628 ( 1115 PWs) bands (ev): -12.2757 -12.2757 -12.2471 -12.2471 -11.2852 -11.2852 -11.2168 -11.2168 -11.1312 -11.1312 6.0501 6.0501 7.9169 7.9169 8.8345 8.8345 11.2334 11.2334 16.3458 16.3458 18.2765 18.2765 k = 0.3143 0.2425 0.7558 ( 1113 PWs) bands (ev): -12.2758 -12.2758 -12.2471 -12.2471 -11.2849 -11.2849 -11.2171 -11.2171 -11.1317 -11.1317 6.0209 6.0209 7.8844 7.8844 8.8714 8.8714 11.3153 11.3153 16.1409 16.1409 18.2518 18.2518 k = 0.3214 0.2480 0.7489 ( 1115 PWs) bands (ev): -12.2759 -12.2759 -12.2471 -12.2471 -11.2844 -11.2844 -11.2173 -11.2173 -11.1323 -11.1323 5.9915 5.9915 7.8540 7.8540 8.9041 8.9041 11.4017 11.4017 15.9393 15.9393 18.2316 18.2316 k = 0.3286 0.2535 0.7419 ( 1115 PWs) bands (ev): -12.2760 -12.2760 -12.2471 -12.2471 -11.2840 -11.2840 -11.2176 -11.2176 -11.1329 -11.1329 5.9622 5.9622 7.8259 7.8259 8.9328 8.9328 11.4897 11.4897 15.7453 15.7453 18.2149 18.2149 k = 0.3357 0.2590 0.7350 ( 1117 PWs) bands (ev): -12.2761 -12.2761 -12.2471 -12.2471 -11.2835 -11.2835 -11.2180 -11.2180 -11.1336 -11.1336 5.9331 5.9331 7.8004 7.8004 8.9580 8.9580 11.5761 11.5761 15.5629 15.5629 18.2010 18.2010 k = 0.3429 0.2645 0.7280 ( 1119 PWs) bands (ev): -12.2762 -12.2762 -12.2471 -12.2471 -11.2829 -11.2829 -11.2184 -11.2184 -11.1344 -11.1344 5.9044 5.9044 7.7774 7.7774 8.9802 8.9802 11.6567 11.6567 15.3961 15.3961 18.1896 18.1896 k = 0.3500 0.2701 0.7210 ( 1119 PWs) bands (ev): -12.2763 -12.2763 -12.2471 -12.2471 -11.2823 -11.2823 -11.2187 -11.2187 -11.1352 -11.1352 5.8763 5.8763 7.7571 7.7571 9.0001 9.0001 11.7269 11.7269 15.2497 15.2497 18.1807 18.1807 k = 0.3571 0.2756 0.7141 ( 1117 PWs) bands (ev): -12.2764 -12.2764 -12.2471 -12.2471 -11.2816 -11.2816 -11.2192 -11.2192 -11.1361 -11.1361 5.8489 5.8489 7.7397 7.7397 9.0182 9.0182 11.7817 11.7817 15.1283 15.1283 18.1741 18.1741 k = 0.3643 0.2811 0.7071 ( 1120 PWs) bands (ev): -12.2764 -12.2764 -12.2472 -12.2472 -11.2809 -11.2809 -11.2196 -11.2196 -11.1370 -11.1370 5.8221 5.8221 7.7250 7.7250 9.0351 9.0351 11.8161 11.8161 15.0369 15.0369 18.1699 18.1699 k = 0.3714 0.2866 0.7002 ( 1116 PWs) bands (ev): -12.2765 -12.2765 -12.2472 -12.2472 -11.2801 -11.2801 -11.2201 -11.2201 -11.1380 -11.1380 5.7960 5.7960 7.7132 7.7132 9.0511 9.0511 11.8257 11.8257 14.9795 14.9795 18.1682 18.1682 k = 0.3786 0.2921 0.6932 ( 1116 PWs) bands (ev): -12.2765 -12.2765 -12.2473 -12.2473 -11.2793 -11.2793 -11.2206 -11.2206 -11.1391 -11.1391 5.7706 5.7706 7.7043 7.7043 9.0669 9.0669 11.8074 11.8074 14.9587 14.9587 18.1692 18.1692 k = 0.3857 0.2976 0.6862 ( 1116 PWs) bands (ev): -12.2765 -12.2765 -12.2473 -12.2473 -11.2785 -11.2785 -11.2211 -11.2211 -11.1402 -11.1402 5.7459 5.7459 7.6983 7.6983 9.0827 9.0827 11.7605 11.7605 14.9752 14.9752 18.1729 18.1729 k = 0.3929 0.3031 0.6793 ( 1116 PWs) bands (ev): -12.2765 -12.2765 -12.2474 -12.2474 -11.2776 -11.2776 -11.2217 -11.2217 -11.1415 -11.1415 5.7218 5.7218 7.6952 7.6952 9.0989 9.0989 11.6863 11.6863 15.0272 15.0272 18.1795 18.1795 k = 0.4000 0.3086 0.6723 ( 1114 PWs) bands (ev): -12.2765 -12.2765 -12.2475 -12.2475 -11.2766 -11.2766 -11.2222 -11.2222 -11.1427 -11.1427 5.6981 5.6981 7.6952 7.6952 9.1158 9.1158 11.5881 11.5881 15.1114 15.1114 18.1893 18.1893 k = 0.4071 0.3141 0.6653 ( 1114 PWs) bands (ev): -12.2764 -12.2764 -12.2476 -12.2476 -11.2756 -11.2756 -11.2228 -11.2228 -11.1441 -11.1441 5.6748 5.6748 7.6981 7.6981 9.1337 9.1337 11.4699 11.4699 15.2234 15.2234 18.2024 18.2024 k = 0.4143 0.3197 0.6584 ( 1116 PWs) bands (ev): -12.2764 -12.2764 -12.2477 -12.2477 -11.2746 -11.2746 -11.2234 -11.2234 -11.1455 -11.1455 5.6517 5.6517 7.7040 7.7040 9.1527 9.1527 11.3362 11.3362 15.3586 15.3586 18.2192 18.2192 k = 0.4214 0.3252 0.6514 ( 1120 PWs) bands (ev): -12.2763 -12.2763 -12.2478 -12.2478 -11.2735 -11.2735 -11.2240 -11.2240 -11.1470 -11.1470 5.6287 5.6287 7.7130 7.7130 9.1730 9.1730 11.1908 11.1908 15.5127 15.5127 18.2400 18.2400 k = 0.4286 0.3307 0.6445 ( 1118 PWs) bands (ev): -12.2762 -12.2762 -12.2480 -12.2480 -11.2724 -11.2724 -11.2246 -11.2246 -11.1485 -11.1485 5.6054 5.6054 7.7249 7.7249 9.1947 9.1947 11.0374 11.0374 15.6821 15.6821 18.2653 18.2653 k = 0.4357 0.3362 0.6375 ( 1118 PWs) bands (ev): -12.2761 -12.2761 -12.2481 -12.2481 -11.2712 -11.2712 -11.2252 -11.2252 -11.1501 -11.1501 5.5818 5.5818 7.7399 7.7399 9.2180 9.2180 10.8789 10.8789 15.8632 15.8632 18.2955 18.2955 k = 0.4429 0.3417 0.6305 ( 1116 PWs) bands (ev): -12.2760 -12.2760 -12.2483 -12.2483 -11.2701 -11.2701 -11.2259 -11.2259 -11.1518 -11.1518 5.5574 5.5574 7.7578 7.7578 9.2429 9.2429 10.7178 10.7178 16.0532 16.0532 18.3315 18.3315 k = 0.4500 0.3472 0.6236 ( 1118 PWs) bands (ev): -12.2759 -12.2759 -12.2485 -12.2485 -11.2689 -11.2689 -11.2265 -11.2265 -11.1536 -11.1536 5.5320 5.5320 7.7788 7.7788 9.2694 9.2694 10.5563 10.5563 16.2494 16.2494 18.3741 18.3741 k = 0.4571 0.3527 0.6166 ( 1120 PWs) bands (ev): -12.2757 -12.2757 -12.2487 -12.2487 -11.2676 -11.2676 -11.2271 -11.2271 -11.1554 -11.1554 5.5053 5.5053 7.8028 7.8028 9.2974 9.2974 10.3963 10.3963 16.4491 16.4491 18.4246 18.4246 k = 0.4643 0.3582 0.6097 ( 1122 PWs) bands (ev): -12.2756 -12.2756 -12.2489 -12.2489 -11.2664 -11.2664 -11.2278 -11.2278 -11.1573 -11.1573 5.4768 5.4768 7.8298 7.8298 9.3267 9.3267 10.2396 10.2396 16.6497 16.6497 18.4845 18.4845 k = 0.4714 0.3637 0.6027 ( 1122 PWs) bands (ev): -12.2754 -12.2754 -12.2492 -12.2492 -11.2651 -11.2651 -11.2284 -11.2284 -11.1592 -11.1592 5.4461 5.4461 7.8598 7.8598 9.3567 9.3567 10.0881 10.0881 16.8481 16.8481 18.5558 18.5558 k = 0.4786 0.3693 0.5957 ( 1122 PWs) bands (ev): -12.2752 -12.2752 -12.2494 -12.2494 -11.2638 -11.2638 -11.2290 -11.2290 -11.1612 -11.1612 5.4128 5.4128 7.8926 7.8926 9.3860 9.3860 9.9443 9.9443 17.0413 17.0413 18.6409 18.6409 k = 0.4857 0.3748 0.5888 ( 1124 PWs) bands (ev): -12.2751 -12.2751 -12.2497 -12.2497 -11.2625 -11.2625 -11.2296 -11.2296 -11.1632 -11.1632 5.3765 5.3765 7.9284 7.9284 9.4112 9.4112 9.8130 9.8130 17.2259 17.2259 18.7427 18.7427 k = 0.4929 0.3803 0.5818 ( 1124 PWs) bands (ev): -12.2749 -12.2749 -12.2500 -12.2500 -11.2612 -11.2612 -11.2302 -11.2302 -11.1653 -11.1653 5.3366 5.3366 7.9671 7.9671 9.4220 9.4220 9.7054 9.7054 17.3985 17.3985 18.8637 18.8637 k = 0.5000 0.3858 0.5749 ( 1124 PWs) bands (ev): -12.2747 -12.2747 -12.2503 -12.2503 -11.2599 -11.2599 -11.2307 -11.2307 -11.1675 -11.1675 5.2926 5.2926 8.0085 8.0085 9.3945 9.3945 9.6463 9.6463 17.5567 17.5567 19.0062 19.0062 k = 0.5000 0.3858 0.5749 ( 1124 PWs) bands (ev): -12.2747 -12.2747 -12.2503 -12.2503 -11.2599 -11.2599 -11.2307 -11.2307 -11.1675 -11.1675 5.2926 5.2926 8.0085 8.0085 9.3945 9.3945 9.6463 9.6463 17.5567 17.5567 19.0062 19.0062 k = 0.5000 0.3858 0.5634 ( 1124 PWs) bands (ev): -12.2744 -12.2744 -12.2508 -12.2508 -11.2577 -11.2577 -11.2315 -11.2315 -11.1711 -11.1711 5.2153 5.2153 8.0804 8.0804 9.2903 9.2903 9.6209 9.6209 17.8070 17.8070 19.2617 19.2617 k = 0.5000 0.3858 0.5519 ( 1124 PWs) bands (ev): -12.2742 -12.2742 -12.2514 -12.2514 -11.2556 -11.2556 -11.2324 -11.2324 -11.1748 -11.1748 5.1359 5.1359 8.1542 8.1542 9.1694 9.1694 9.6215 9.6215 18.0613 18.0613 19.5204 19.5204 k = 0.5000 0.3858 0.5404 ( 1120 PWs) bands (ev): -12.2739 -12.2739 -12.2520 -12.2520 -11.2535 -11.2535 -11.2331 -11.2331 -11.1785 -11.1785 5.0549 5.0549 8.2288 8.2288 9.0446 9.0446 9.6363 9.6363 18.3193 18.3193 19.7821 19.7821 k = 0.5000 0.3858 0.5289 ( 1118 PWs) bands (ev): -12.2737 -12.2737 -12.2528 -12.2528 -11.2515 -11.2515 -11.2337 -11.2337 -11.1822 -11.1822 4.9724 4.9724 8.3019 8.3019 8.9230 8.9230 9.6605 9.6605 18.5805 18.5805 20.0468 20.0468 k = 0.5000 0.3858 0.5174 ( 1118 PWs) bands (ev): -12.2734 -12.2734 -12.2535 -12.2535 -11.2498 -11.2498 -11.2340 -11.2340 -11.1859 -11.1859 4.8889 4.8889 8.3669 8.3669 8.8128 8.8128 9.6922 9.6922 18.8446 18.8446 20.3143 20.3143 k = 0.5000 0.3858 0.5059 ( 1118 PWs) bands (ev): -12.2732 -12.2732 -12.2544 -12.2544 -11.2484 -11.2484 -11.2340 -11.2340 -11.1896 -11.1896 4.8047 4.8047 8.4045 8.4045 8.7344 8.7344 9.7304 9.7304 19.1112 19.1112 20.5846 20.5846 k = 0.5000 0.3858 0.4944 ( 1114 PWs) bands (ev): -12.2729 -12.2729 -12.2553 -12.2553 -11.2476 -11.2476 -11.2334 -11.2334 -11.1933 -11.1933 4.7200 4.7200 8.3797 8.3797 8.7232 8.7232 9.7745 9.7745 19.3800 19.3800 20.8577 20.8577 k = 0.5000 0.3858 0.4829 ( 1106 PWs) bands (ev): -12.2727 -12.2727 -12.2562 -12.2562 -11.2473 -11.2473 -11.2323 -11.2323 -11.1969 -11.1969 4.6350 4.6350 8.2972 8.2972 8.7746 8.7746 9.8242 9.8242 19.6503 19.6503 21.1334 21.1334 k = 0.5000 0.3858 0.4714 ( 1110 PWs) bands (ev): -12.2725 -12.2725 -12.2573 -12.2573 -11.2475 -11.2475 -11.2307 -11.2307 -11.2005 -11.2005 4.5501 4.5501 8.1914 8.1914 8.8546 8.8546 9.8791 9.8791 19.9217 19.9217 21.4115 21.4115 k = 0.5000 0.3858 0.4599 ( 1110 PWs) bands (ev): -12.2723 -12.2723 -12.2584 -12.2584 -11.2481 -11.2481 -11.2287 -11.2287 -11.2039 -11.2039 4.4654 4.4654 8.0785 8.0785 8.9470 8.9470 9.9389 9.9389 20.1934 20.1934 21.6922 21.6922 k = 0.5000 0.3858 0.4484 ( 1102 PWs) bands (ev): -12.2722 -12.2722 -12.2595 -12.2595 -11.2490 -11.2490 -11.2266 -11.2266 -11.2072 -11.2072 4.3812 4.3812 7.9638 7.9638 9.0465 9.0465 10.0036 10.0036 20.4645 20.4645 21.9753 21.9753 k = 0.5000 0.3858 0.4369 ( 1108 PWs) bands (ev): -12.2720 -12.2720 -12.2607 -12.2607 -11.2501 -11.2501 -11.2244 -11.2244 -11.2103 -11.2103 4.2977 4.2977 7.8495 7.8495 9.1509 9.1509 10.0729 10.0729 20.7337 20.7337 22.2606 22.2606 k = 0.5000 0.3858 0.4254 ( 1108 PWs) bands (ev): -12.2719 -12.2719 -12.2620 -12.2620 -11.2514 -11.2514 -11.2226 -11.2226 -11.2127 -11.2127 4.2151 4.2151 7.7365 7.7365 9.2594 9.2594 10.1467 10.1467 20.9995 20.9995 22.5482 22.5482 k = 0.5000 0.3858 0.4139 ( 1108 PWs) bands (ev): -12.2719 -12.2719 -12.2633 -12.2633 -11.2527 -11.2527 -11.2219 -11.2219 -11.2139 -11.2139 4.1334 4.1334 7.6255 7.6255 9.3713 9.3713 10.2247 10.2247 21.2594 21.2594 22.8379 22.8379 k = 0.5000 0.3858 0.4024 ( 1108 PWs) bands (ev): -12.2718 -12.2718 -12.2646 -12.2646 -11.2542 -11.2542 -11.2230 -11.2230 -11.2131 -11.2131 4.0530 4.0530 7.5166 7.5166 9.4865 9.4865 10.3070 10.3070 21.5103 21.5103 23.1295 23.1295 k = 0.5000 0.3858 0.3909 ( 1108 PWs) bands (ev): -12.2719 -12.2719 -12.2660 -12.2660 -11.2557 -11.2557 -11.2252 -11.2252 -11.2110 -11.2110 3.9739 3.9739 7.4102 7.4102 9.6047 9.6047 10.3933 10.3933 21.7476 21.7476 23.4228 23.4228 k = 0.5000 0.3858 0.3794 ( 1108 PWs) bands (ev): -12.2720 -12.2720 -12.2673 -12.2673 -11.2573 -11.2573 -11.2276 -11.2276 -11.2086 -11.2086 3.8962 3.8962 7.3062 7.3062 9.7258 9.7258 10.4836 10.4836 21.9647 21.9647 23.7168 23.7168 k = 0.5000 0.3858 0.3679 ( 1108 PWs) bands (ev): -12.2724 -12.2724 -12.2684 -12.2684 -11.2590 -11.2590 -11.2300 -11.2300 -11.2059 -11.2059 3.8201 3.8201 7.2049 7.2049 9.8496 9.8496 10.5777 10.5777 22.1522 22.1522 23.9878 23.9878 k = 0.5000 0.3858 0.3564 ( 1108 PWs) bands (ev): -12.2730 -12.2730 -12.2693 -12.2693 -11.2607 -11.2607 -11.2323 -11.2323 -11.2032 -11.2032 3.7457 3.7457 7.1063 7.1063 9.9760 9.9760 10.6756 10.6756 22.2981 22.2981 23.7816 23.7816 k = 0.5000 0.3858 0.3449 ( 1108 PWs) bands (ev): -12.2741 -12.2741 -12.2699 -12.2699 -11.2625 -11.2625 -11.2345 -11.2345 -11.2005 -11.2005 3.6730 3.6730 7.0105 7.0105 10.1049 10.1049 10.7771 10.7771 22.3894 22.3894 23.5087 23.5087 k = 0.5000 0.3858 0.3334 ( 1112 PWs) bands (ev): -12.2755 -12.2755 -12.2702 -12.2702 -11.2644 -11.2644 -11.2366 -11.2366 -11.1978 -11.1978 3.6022 3.6022 6.9174 6.9174 10.2363 10.2363 10.8822 10.8822 22.4159 22.4159 23.2378 23.2378 k = 0.5000 0.3858 0.3219 ( 1112 PWs) bands (ev): -12.2770 -12.2770 -12.2704 -12.2704 -11.2663 -11.2663 -11.2385 -11.2385 -11.1951 -11.1951 3.5333 3.5333 6.8273 6.8273 10.3699 10.3699 10.9908 10.9908 22.3758 22.3758 22.9707 22.9707 k = 0.5000 0.3858 0.3104 ( 1112 PWs) bands (ev): -12.2787 -12.2787 -12.2705 -12.2705 -11.2682 -11.2682 -11.2403 -11.2403 -11.1924 -11.1924 3.4664 3.4664 6.7400 6.7400 10.5058 10.5058 11.1027 11.1027 22.2760 22.2760 22.7083 22.7083 k = 0.5000 0.3858 0.2989 ( 1110 PWs) bands (ev): -12.2804 -12.2804 -12.2706 -12.2706 -11.2701 -11.2701 -11.2419 -11.2419 -11.1897 -11.1897 3.4015 3.4015 6.6557 6.6557 10.6439 10.6439 11.2180 11.2180 22.1283 22.1283 22.4513 22.4513 k = 0.5000 0.3858 0.2874 ( 1110 PWs) bands (ev): -12.2821 -12.2821 -12.2707 -12.2707 -11.2720 -11.2720 -11.2434 -11.2434 -11.1871 -11.1871 3.3388 3.3388 6.5743 6.5743 10.7839 10.7839 11.3364 11.3364 21.9448 21.9448 22.2004 22.2004 k = 0.5000 0.3858 0.2759 ( 1110 PWs) bands (ev): -12.2839 -12.2839 -12.2709 -12.2709 -11.2740 -11.2740 -11.2448 -11.2448 -11.1846 -11.1846 3.2783 3.2783 6.4959 6.4959 10.9257 10.9257 11.4579 11.4579 21.7360 21.7360 21.9551 21.9551 k = 0.5000 0.3858 0.2644 ( 1108 PWs) bands (ev): -12.2856 -12.2856 -12.2710 -12.2710 -11.2759 -11.2759 -11.2461 -11.2461 -11.1821 -11.1821 3.2200 3.2200 6.4206 6.4206 11.0694 11.0694 11.5825 11.5825 21.5109 21.5109 21.7142 21.7142 k = 0.5000 0.3858 0.2529 ( 1110 PWs) bands (ev): -12.2874 -12.2874 -12.2711 -12.2711 -11.2777 -11.2777 -11.2473 -11.2473 -11.1797 -11.1797 3.1639 3.1639 6.3482 6.3482 11.2145 11.2145 11.7099 11.7099 21.2765 21.2765 21.4758 21.4758 k = 0.5000 0.3858 0.2414 ( 1124 PWs) bands (ev): -12.2891 -12.2891 -12.2712 -12.2712 -11.2795 -11.2795 -11.2483 -11.2483 -11.1773 -11.1773 3.1102 3.1102 6.2790 6.2790 11.3611 11.3611 11.8400 11.8400 21.0378 21.0378 21.2388 21.2388 k = 0.5000 0.3858 0.2299 ( 1124 PWs) bands (ev): -12.2909 -12.2909 -12.2713 -12.2713 -11.2813 -11.2813 -11.2493 -11.2493 -11.1750 -11.1750 3.0587 3.0587 6.2128 6.2128 11.5089 11.5089 11.9728 11.9728 20.7979 20.7979 21.0029 21.0029 k = 0.5000 0.3858 0.2184 ( 1124 PWs) bands (ev): -12.2926 -12.2926 -12.2714 -12.2714 -11.2830 -11.2830 -11.2502 -11.2502 -11.1728 -11.1728 3.0097 3.0097 6.1498 6.1498 11.6577 11.6577 12.1080 12.1080 20.5587 20.5587 20.7683 20.7683 k = 0.5000 0.3858 0.2069 ( 1124 PWs) bands (ev): -12.2942 -12.2942 -12.2716 -12.2716 -11.2847 -11.2847 -11.2510 -11.2510 -11.1707 -11.1707 2.9630 2.9630 6.0898 6.0898 11.8072 11.8072 12.2455 12.2455 20.3215 20.3215 20.5354 20.5354 k = 0.5000 0.3858 0.1955 ( 1120 PWs) bands (ev): -12.2959 -12.2959 -12.2717 -12.2717 -11.2862 -11.2862 -11.2517 -11.2517 -11.1686 -11.1686 2.9188 2.9188 6.0331 6.0331 11.9572 11.9572 12.3850 12.3850 20.0871 20.0871 20.3048 20.3048 k = 0.5000 0.3858 0.1840 ( 1124 PWs) bands (ev): -12.2974 -12.2974 -12.2718 -12.2718 -11.2877 -11.2877 -11.2524 -11.2524 -11.1667 -11.1667 2.8769 2.8769 5.9794 5.9794 12.1073 12.1073 12.5263 12.5263 19.8561 19.8561 20.0772 20.0772 k = 0.5000 0.3858 0.1725 ( 1124 PWs) bands (ev): -12.2989 -12.2989 -12.2720 -12.2720 -11.2892 -11.2892 -11.2530 -11.2530 -11.1648 -11.1648 2.8376 2.8376 5.9290 5.9290 12.2572 12.2572 12.6690 12.6690 19.6291 19.6291 19.8532 19.8532 k = 0.5000 0.3858 0.1610 ( 1120 PWs) bands (ev): -12.3004 -12.3004 -12.2721 -12.2721 -11.2905 -11.2905 -11.2535 -11.2535 -11.1631 -11.1631 2.8007 2.8007 5.8817 5.8817 12.4063 12.4063 12.8128 12.8128 19.4066 19.4066 19.6335 19.6335 k = 0.5000 0.3858 0.1495 ( 1124 PWs) bands (ev): -12.3018 -12.3018 -12.2722 -12.2722 -11.2918 -11.2918 -11.2540 -11.2540 -11.1614 -11.1614 2.7663 2.7663 5.8376 5.8376 12.5541 12.5541 12.9571 12.9571 19.1892 19.1892 19.4188 19.4188 k = 0.5000 0.3858 0.1380 ( 1124 PWs) bands (ev): -12.3031 -12.3031 -12.2724 -12.2724 -11.2929 -11.2929 -11.2545 -11.2545 -11.1599 -11.1599 2.7344 2.7344 5.7968 5.7968 12.7001 12.7001 13.1015 13.1015 18.9775 18.9775 19.2101 19.2101 k = 0.5000 0.3858 0.1265 ( 1128 PWs) bands (ev): -12.3043 -12.3043 -12.2725 -12.2725 -11.2940 -11.2940 -11.2549 -11.2549 -11.1585 -11.1585 2.7050 2.7050 5.7592 5.7592 12.8434 12.8434 13.2452 13.2452 18.7723 18.7723 19.0082 19.0082 k = 0.5000 0.3858 0.1150 ( 1128 PWs) bands (ev): -12.3055 -12.3055 -12.2726 -12.2726 -11.2950 -11.2950 -11.2552 -11.2552 -11.1572 -11.1572 2.6782 2.6782 5.7248 5.7248 12.9831 12.9831 13.3874 13.3874 18.5743 18.5743 18.8142 18.8142 k = 0.5000 0.3858 0.1035 ( 1128 PWs) bands (ev): -12.3065 -12.3065 -12.2727 -12.2727 -11.2959 -11.2959 -11.2555 -11.2555 -11.1560 -11.1560 2.6538 2.6538 5.6936 5.6936 13.1182 13.1182 13.5268 13.5268 18.3847 18.3847 18.6293 18.6293 k = 0.5000 0.3858 0.0920 ( 1126 PWs) bands (ev): -12.3074 -12.3074 -12.2728 -12.2728 -11.2967 -11.2967 -11.2558 -11.2558 -11.1549 -11.1549 2.6321 2.6321 5.6658 5.6658 13.2473 13.2473 13.6622 13.6622 18.2049 18.2049 18.4551 18.4551 k = 0.5000 0.3858 0.0805 ( 1122 PWs) bands (ev): -12.3083 -12.3083 -12.2729 -12.2729 -11.2974 -11.2974 -11.2560 -11.2560 -11.1539 -11.1539 2.6128 2.6128 5.6411 5.6411 13.3689 13.3689 13.7919 13.7919 18.0363 18.0363 18.2933 18.2933 k = 0.5000 0.3858 0.0690 ( 1122 PWs) bands (ev): -12.3090 -12.3090 -12.2730 -12.2730 -11.2980 -11.2980 -11.2562 -11.2562 -11.1531 -11.1531 2.5961 2.5961 5.6198 5.6198 13.4812 13.4812 13.9137 13.9137 17.8809 17.8809 18.1458 18.1458 k = 0.5000 0.3858 0.0575 ( 1126 PWs) bands (ev): -12.3097 -12.3097 -12.2731 -12.2731 -11.2985 -11.2985 -11.2564 -11.2564 -11.1524 -11.1524 2.5820 2.5820 5.6017 5.6017 13.5820 13.5820 14.0252 14.0252 17.7413 17.7413 18.0147 18.0147 k = 0.5000 0.3858 0.0460 ( 1126 PWs) bands (ev): -12.3102 -12.3102 -12.2732 -12.2732 -11.2990 -11.2990 -11.2565 -11.2565 -11.1518 -11.1518 2.5705 2.5705 5.5869 5.5869 13.6692 13.6692 14.1233 14.1233 17.6204 17.6204 17.9027 17.9027 k = 0.5000 0.3858 0.0345 ( 1126 PWs) bands (ev): -12.3106 -12.3106 -12.2732 -12.2732 -11.2993 -11.2993 -11.2566 -11.2566 -11.1514 -11.1514 2.5615 2.5615 5.5754 5.5754 13.7403 13.7403 14.2048 14.2048 17.5212 17.5212 17.8121 17.8121 k = 0.5000 0.3858 0.0230 ( 1126 PWs) bands (ev): -12.3109 -12.3109 -12.2732 -12.2732 -11.2995 -11.2995 -11.2567 -11.2567 -11.1511 -11.1511 2.5550 2.5550 5.5672 5.5672 13.7931 13.7931 14.2662 14.2662 17.4472 17.4472 17.7453 17.7453 k = 0.5000 0.3858 0.0115 ( 1112 PWs) bands (ev): -12.3111 -12.3111 -12.2733 -12.2733 -11.2997 -11.2997 -11.2568 -11.2568 -11.1509 -11.1509 2.5512 2.5512 5.5622 5.5622 13.8257 13.8257 14.3046 14.3046 17.4014 17.4014 17.7043 17.7043 k = 0.5000 0.3858 0.0000 ( 1112 PWs) bands (ev): -12.3111 -12.3111 -12.2733 -12.2733 -11.2997 -11.2997 -11.2568 -11.2568 -11.1508 -11.1508 2.5499 2.5499 5.5606 5.5606 13.8367 13.8367 14.3176 14.3176 17.3859 17.3859 17.6905 17.6905 k = 0.0000 0.0000 0.8185 ( 1126 PWs) bands (ev): -12.2777 -12.2777 -12.2476 -12.2476 -11.2851 -11.2851 -11.2204 -11.2204 -11.1224 -11.1224 6.1143 6.1143 7.2301 7.2301 10.1602 10.1602 12.1301 12.1301 14.1799 14.1799 15.2154 15.2154 k = 0.0093 0.0071 0.8185 ( 1122 PWs) bands (ev): -12.2777 -12.2777 -12.2476 -12.2476 -11.2851 -11.2851 -11.2204 -11.2204 -11.1224 -11.1224 6.1146 6.1146 7.2317 7.2317 10.1555 10.1555 12.1223 12.1223 14.1915 14.1915 15.2230 15.2230 k = 0.0185 0.0143 0.8185 ( 1122 PWs) bands (ev): -12.2777 -12.2777 -12.2476 -12.2476 -11.2851 -11.2851 -11.2204 -11.2204 -11.1225 -11.1225 6.1155 6.1155 7.2364 7.2364 10.1414 10.1414 12.0996 12.0996 14.2255 14.2255 15.2454 15.2454 k = 0.0278 0.0214 0.8185 ( 1126 PWs) bands (ev): -12.2776 -12.2776 -12.2476 -12.2476 -11.2851 -11.2851 -11.2203 -11.2203 -11.1226 -11.1226 6.1169 6.1169 7.2442 7.2442 10.1183 10.1183 12.0635 12.0635 14.2806 14.2806 15.2825 15.2825 k = 0.0370 0.0286 0.8185 ( 1126 PWs) bands (ev): -12.2776 -12.2776 -12.2476 -12.2476 -11.2851 -11.2851 -11.2202 -11.2202 -11.1228 -11.1228 6.1189 6.1189 7.2551 7.2551 10.0865 10.0865 12.0160 12.0160 14.3545 14.3545 15.3338 15.3338 k = 0.0463 0.0357 0.8185 ( 1126 PWs) bands (ev): -12.2775 -12.2775 -12.2476 -12.2476 -11.2852 -11.2852 -11.2201 -11.2201 -11.1230 -11.1230 6.1214 6.1214 7.2691 7.2691 10.0465 10.0465 11.9596 11.9596 14.4448 14.4448 15.3989 15.3989 k = 0.0556 0.0429 0.8185 ( 1126 PWs) bands (ev): -12.2774 -12.2774 -12.2476 -12.2476 -11.2852 -11.2852 -11.2200 -11.2200 -11.1232 -11.1232 6.1245 6.1245 7.2862 7.2862 9.9991 9.9991 11.8967 11.8967 14.5493 14.5493 15.4769 15.4769 k = 0.0648 0.0500 0.8185 ( 1130 PWs) bands (ev): -12.2773 -12.2773 -12.2475 -12.2475 -11.2852 -11.2852 -11.2198 -11.2198 -11.1235 -11.1235 6.1280 6.1280 7.3064 7.3064 9.9450 9.9450 11.8291 11.8291 14.6658 14.6658 15.5673 15.5673 k = 0.0741 0.0572 0.8185 ( 1130 PWs) bands (ev): -12.2772 -12.2772 -12.2475 -12.2475 -11.2853 -11.2853 -11.2196 -11.2196 -11.1238 -11.1238 6.1319 6.1319 7.3296 7.3296 9.8848 9.8848 11.7588 11.7588 14.7925 14.7925 15.6693 15.6693 k = 0.0833 0.0643 0.8185 ( 1130 PWs) bands (ev): -12.2770 -12.2770 -12.2475 -12.2475 -11.2854 -11.2854 -11.2194 -11.2194 -11.1241 -11.1241 6.1362 6.1362 7.3558 7.3558 9.8194 9.8194 11.6871 11.6871 14.9278 14.9278 15.7821 15.7821 k = 0.0926 0.0714 0.8185 ( 1130 PWs) bands (ev): -12.2769 -12.2769 -12.2475 -12.2475 -11.2854 -11.2854 -11.2192 -11.2192 -11.1244 -11.1244 6.1408 6.1408 7.3850 7.3850 9.7494 9.7494 11.6153 11.6153 15.0705 15.0705 15.9050 15.9050 k = 0.1019 0.0786 0.8185 ( 1126 PWs) bands (ev): -12.2767 -12.2767 -12.2475 -12.2475 -11.2855 -11.2855 -11.2190 -11.2190 -11.1248 -11.1248 6.1457 6.1457 7.4172 7.4172 9.6757 9.6757 11.5443 11.5443 15.2195 15.2195 16.0373 16.0373 k = 0.1111 0.0857 0.8185 ( 1114 PWs) bands (ev): -12.2766 -12.2766 -12.2475 -12.2475 -11.2856 -11.2856 -11.2188 -11.2188 -11.1252 -11.1252 6.1508 6.1508 7.4522 7.4522 9.5988 9.5988 11.4750 11.4750 15.3737 15.3737 16.1784 16.1784 k = 0.1204 0.0929 0.8185 ( 1114 PWs) bands (ev): -12.2764 -12.2764 -12.2475 -12.2475 -11.2857 -11.2857 -11.2185 -11.2185 -11.1256 -11.1256 6.1560 6.1560 7.4901 7.4901 9.5194 9.5194 11.4080 11.4080 15.5323 15.5323 16.3275 16.3275 k = 0.1296 0.1000 0.8185 ( 1110 PWs) bands (ev): -12.2763 -12.2763 -12.2475 -12.2475 -11.2857 -11.2857 -11.2183 -11.2183 -11.1260 -11.1260 6.1613 6.1613 7.5308 7.5308 9.4381 9.4381 11.3439 11.3439 15.6944 15.6944 16.4841 16.4841 k = 0.1389 0.1072 0.8185 ( 1110 PWs) bands (ev): -12.2761 -12.2761 -12.2474 -12.2474 -11.2858 -11.2858 -11.2180 -11.2180 -11.1264 -11.1264 6.1666 6.1666 7.5741 7.5741 9.3555 9.3555 11.2830 11.2830 15.8591 15.8591 16.6477 16.6477 k = 0.1481 0.1143 0.8185 ( 1108 PWs) bands (ev): -12.2760 -12.2760 -12.2474 -12.2474 -11.2859 -11.2859 -11.2178 -11.2178 -11.1268 -11.1268 6.1718 6.1718 7.6201 7.6201 9.2720 9.2720 11.2259 11.2259 16.0255 16.0255 16.8179 16.8179 k = 0.1574 0.1215 0.8185 ( 1108 PWs) bands (ev): -12.2758 -12.2758 -12.2474 -12.2474 -11.2860 -11.2860 -11.2175 -11.2175 -11.1272 -11.1272 6.1769 6.1769 7.6686 7.6686 9.1882 9.1882 11.1728 11.1728 16.1925 16.1925 16.9941 16.9941 k = 0.1667 0.1286 0.8185 ( 1108 PWs) bands (ev): -12.2757 -12.2757 -12.2474 -12.2474 -11.2860 -11.2860 -11.2173 -11.2173 -11.1275 -11.1275 6.1817 6.1817 7.7194 7.7194 9.1045 9.1045 11.1239 11.1239 16.3589 16.3589 17.1761 17.1761 k = 0.1759 0.1357 0.8185 ( 1112 PWs) bands (ev): -12.2756 -12.2756 -12.2474 -12.2474 -11.2861 -11.2861 -11.2170 -11.2170 -11.1279 -11.1279 6.1863 6.1863 7.7724 7.7724 9.0214 9.0214 11.0797 11.0797 16.5231 16.5231 17.3634 17.3634 k = 0.1852 0.1429 0.8185 ( 1112 PWs) bands (ev): -12.2755 -12.2755 -12.2474 -12.2474 -11.2862 -11.2862 -11.2168 -11.2168 -11.1282 -11.1282 6.1905 6.1905 7.8272 7.8272 8.9395 8.9395 11.0401 11.0401 16.6831 16.6831 17.5558 17.5558 k = 0.1944 0.1500 0.8185 ( 1112 PWs) bands (ev): -12.2754 -12.2754 -12.2473 -12.2473 -11.2863 -11.2863 -11.2166 -11.2166 -11.1285 -11.1285 6.1943 6.1943 7.8835 7.8835 8.8593 8.8593 11.0055 11.0055 16.8365 16.8365 17.7529 17.7529 k = 0.2037 0.1572 0.8185 ( 1110 PWs) bands (ev): -12.2753 -12.2753 -12.2473 -12.2473 -11.2863 -11.2863 -11.2164 -11.2164 -11.1287 -11.1287 6.1976 6.1976 7.9406 7.9406 8.7817 8.7817 10.9760 10.9760 16.9799 16.9799 17.9546 17.9546 k = 0.2130 0.1643 0.8185 ( 1110 PWs) bands (ev): -12.2752 -12.2752 -12.2473 -12.2473 -11.2864 -11.2864 -11.2163 -11.2163 -11.1290 -11.1290 6.2004 6.2004 7.9975 7.9975 8.7079 8.7079 10.9517 10.9517 17.1092 17.1092 18.1604 18.1604 k = 0.2222 0.1715 0.8185 ( 1110 PWs) bands (ev): -12.2752 -12.2752 -12.2473 -12.2473 -11.2864 -11.2864 -11.2162 -11.2162 -11.1291 -11.1291 6.2026 6.2026 8.0521 8.0521 8.6399 8.6399 10.9327 10.9327 17.2193 17.2193 18.3703 18.3703 k = 0.2315 0.1786 0.8185 ( 1110 PWs) bands (ev): -12.2752 -12.2752 -12.2472 -12.2472 -11.2864 -11.2864 -11.2161 -11.2161 -11.1293 -11.1293 6.2042 6.2042 8.1010 8.1010 8.5815 8.5815 10.9190 10.9190 17.3042 17.3042 18.5838 18.5838 k = 0.2407 0.1858 0.8185 ( 1110 PWs) bands (ev): -12.2752 -12.2752 -12.2472 -12.2472 -11.2865 -11.2865 -11.2160 -11.2160 -11.1293 -11.1293 6.2052 6.2052 8.1373 8.1373 8.5394 8.5394 10.9108 10.9108 17.3582 17.3582 18.8007 18.8007 k = 0.2500 0.1929 0.8185 ( 1108 PWs) bands (ev): -12.2752 -12.2752 -12.2472 -12.2472 -11.2865 -11.2865 -11.2160 -11.2160 -11.1294 -11.1294 6.2055 6.2055 8.1514 8.1514 8.5234 8.5234 10.9081 10.9081 17.3768 17.3768 19.0013 19.0013 Writing output data file Sn.save init_run : 0.06s CPU 0.22s WALL ( 1 calls) electrons : 29.77s CPU 30.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 29.77s CPU 30.81s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 484 calls) cegterg : 27.14s CPU 27.73s WALL ( 494 calls) Called by sum_band: Called by *egterg: h_psi : 11.30s CPU 11.75s WALL ( 6728 calls) s_psi : 0.33s CPU 0.36s WALL ( 6728 calls) g_psi : 0.02s CPU 0.03s WALL ( 5750 calls) cdiaghg : 15.21s CPU 15.41s WALL ( 6234 calls) cegterg:over : 0.75s CPU 0.80s WALL ( 5750 calls) cegterg:upda : 0.62s CPU 0.63s WALL ( 5750 calls) cegterg:last : 0.29s CPU 0.29s WALL ( 1033 calls) cdiaghg:chol : 0.73s CPU 0.79s WALL ( 6234 calls) cdiaghg:inve : 0.15s CPU 0.16s WALL ( 6234 calls) cdiaghg:para : 1.13s CPU 1.10s WALL ( 12468 calls) Called by h_psi: h_psi:vloc : 10.40s CPU 10.83s WALL ( 6728 calls) h_psi:vnl : 0.87s CPU 0.89s WALL ( 6728 calls) add_vuspsi : 0.52s CPU 0.47s WALL ( 6728 calls) General routines calbec : 0.34s CPU 0.41s WALL ( 6728 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 9.74s CPU 10.22s WALL ( 316472 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.15s WALL ( 968 calls) Parallel routines fft_scatter : 6.23s CPU 6.37s WALL ( 316495 calls) PWSCF : 0m37.74s CPU 1m 9.62s WALL This run was terminated on: 21:17:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=