Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:11:46 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: ./TiH2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 21 6 326 326 54 Max 22 22 7 328 328 57 Sum 759 759 231 11777 11777 1987 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.4822 a.u. unit-cell volume = 121.6861 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.482241 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.448798 celldm(5)= -0.448798 celldm(6)= -0.102405 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.102405 0.994743 0.000000 ) a(3) = ( -0.448798 -0.497371 0.742430 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.102946 0.673464 ) b(2) = ( 0.000000 1.005285 0.673464 ) b(3) = ( 0.000000 0.000000 1.346928 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Ti 12.00 47.86700 Ti( 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= 569 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017575 k( 2) = ( 0.0000000 0.0000000 0.0092255), wk = 0.0017575 k( 3) = ( 0.0000000 0.0000000 0.0184511), wk = 0.0017575 k( 4) = ( 0.0000000 0.0000000 0.0276766), wk = 0.0017575 k( 5) = ( 0.0000000 0.0000000 0.0369021), wk = 0.0017575 k( 6) = ( 0.0000000 0.0000000 0.0461277), wk = 0.0017575 k( 7) = ( 0.0000000 0.0000000 0.0553532), wk = 0.0017575 k( 8) = ( 0.0000000 0.0000000 0.0645788), wk = 0.0017575 k( 9) = ( 0.0000000 0.0000000 0.0738043), wk = 0.0017575 k( 10) = ( 0.0000000 0.0000000 0.0830298), wk = 0.0017575 k( 11) = ( 0.0000000 0.0000000 0.0922553), wk = 0.0017575 k( 12) = ( 0.0000000 0.0000000 0.1014809), wk = 0.0017575 k( 13) = ( 0.0000000 0.0000000 0.1107064), wk = 0.0017575 k( 14) = ( 0.0000000 0.0000000 0.1199320), wk = 0.0017575 k( 15) = ( 0.0000000 0.0000000 0.1291575), wk = 0.0017575 k( 16) = ( 0.0000000 0.0000000 0.1383830), wk = 0.0017575 k( 17) = ( 0.0000000 0.0000000 0.1476086), wk = 0.0017575 k( 18) = ( 0.0000000 0.0000000 0.1568341), wk = 0.0017575 k( 19) = ( 0.0000000 0.0000000 0.1660596), wk = 0.0017575 k( 20) = ( 0.0000000 0.0000000 0.1752852), wk = 0.0017575 k( 21) = ( 0.0000000 0.0000000 0.1845107), wk = 0.0017575 k( 22) = ( 0.0000000 0.0000000 0.1937362), wk = 0.0017575 k( 23) = ( 0.0000000 0.0000000 0.2029618), wk = 0.0017575 k( 24) = ( 0.0000000 0.0000000 0.2121873), wk = 0.0017575 k( 25) = ( 0.0000000 0.0000000 0.2214128), wk = 0.0017575 k( 26) = ( 0.0000000 0.0000000 0.2306384), wk = 0.0017575 k( 27) = ( 0.0000000 0.0000000 0.2398639), wk = 0.0017575 k( 28) = ( 0.0000000 0.0000000 0.2490895), wk = 0.0017575 k( 29) = ( 0.0000000 0.0000000 0.2583150), wk = 0.0017575 k( 30) = ( 0.0000000 0.0000000 0.2675405), wk = 0.0017575 k( 31) = ( 0.0000000 0.0000000 0.2767660), wk = 0.0017575 k( 32) = ( 0.0000000 0.0000000 0.2859916), wk = 0.0017575 k( 33) = ( 0.0000000 0.0000000 0.2952171), wk = 0.0017575 k( 34) = ( 0.0000000 0.0000000 0.3044427), wk = 0.0017575 k( 35) = ( 0.0000000 0.0000000 0.3136682), wk = 0.0017575 k( 36) = ( 0.0000000 0.0000000 0.3228937), wk = 0.0017575 k( 37) = ( 0.0000000 0.0000000 0.3321193), wk = 0.0017575 k( 38) = ( 0.0000000 0.0000000 0.3413448), wk = 0.0017575 k( 39) = ( 0.0000000 0.0000000 0.3505703), wk = 0.0017575 k( 40) = ( 0.0000000 0.0000000 0.3597959), wk = 0.0017575 k( 41) = ( 0.0000000 0.0000000 0.3690214), wk = 0.0017575 k( 42) = ( 0.0000000 0.0000000 0.3782469), wk = 0.0017575 k( 43) = ( 0.0000000 0.0000000 0.3874725), wk = 0.0017575 k( 44) = ( 0.0000000 0.0000000 0.3966980), wk = 0.0017575 k( 45) = ( 0.0000000 0.0000000 0.4059235), wk = 0.0017575 k( 46) = ( 0.0000000 0.0000000 0.4151491), wk = 0.0017575 k( 47) = ( 0.0000000 0.0000000 0.4243746), wk = 0.0017575 k( 48) = ( 0.0000000 0.0000000 0.4336001), wk = 0.0017575 k( 49) = ( 0.0000000 0.0000000 0.4428257), wk = 0.0017575 k( 50) = ( 0.0000000 0.0000000 0.4520512), wk = 0.0017575 k( 51) = ( 0.0000000 0.0000000 0.4612767), wk = 0.0017575 k( 52) = ( 0.0000000 0.0000000 0.4705023), wk = 0.0017575 k( 53) = ( 0.0000000 0.0000000 0.4797278), wk = 0.0017575 k( 54) = ( 0.0000000 0.0000000 0.4889534), wk = 0.0017575 k( 55) = ( 0.0000000 0.0000000 0.4981789), wk = 0.0017575 k( 56) = ( 0.0000000 0.0000000 0.5074044), wk = 0.0017575 k( 57) = ( 0.0000000 0.0000000 0.5166300), wk = 0.0017575 k( 58) = ( 0.0000000 0.0000000 0.5258555), wk = 0.0017575 k( 59) = ( 0.0000000 0.0000000 0.5350810), wk = 0.0017575 k( 60) = ( 0.0000000 0.0000000 0.5443066), wk = 0.0017575 k( 61) = ( 0.0000000 0.0000000 0.5535321), wk = 0.0017575 k( 62) = ( 0.0000000 0.0000000 0.5627576), wk = 0.0017575 k( 63) = ( 0.0000000 0.0000000 0.5719832), wk = 0.0017575 k( 64) = ( 0.0000000 0.0000000 0.5812087), wk = 0.0017575 k( 65) = ( 0.0000000 0.0000000 0.5904342), wk = 0.0017575 k( 66) = ( 0.0000000 0.0000000 0.5996598), wk = 0.0017575 k( 67) = ( 0.0000000 0.0000000 0.6088853), wk = 0.0017575 k( 68) = ( 0.0000000 0.0000000 0.6181108), wk = 0.0017575 k( 69) = ( 0.0000000 0.0000000 0.6273364), wk = 0.0017575 k( 70) = ( 0.0000000 0.0000000 0.6365619), wk = 0.0017575 k( 71) = ( 0.0000000 0.0000000 0.6457874), wk = 0.0017575 k( 72) = ( 0.0000000 0.0000000 0.6550130), wk = 0.0017575 k( 73) = ( 0.0000000 0.0000000 0.6642385), wk = 0.0017575 k( 74) = ( 0.0000000 0.0000000 0.6734641), wk = 0.0017575 k( 75) = ( 0.0000000 0.0000000 0.6734641), wk = 0.0017575 k( 76) = ( -0.0068232 0.0061568 0.6734641), wk = 0.0017575 k( 77) = ( -0.0136464 0.0123137 0.6734641), wk = 0.0017575 k( 78) = ( -0.0204696 0.0184705 0.6734641), wk = 0.0017575 k( 79) = ( -0.0272928 0.0246274 0.6734641), wk = 0.0017575 k( 80) = ( -0.0341160 0.0307842 0.6734641), wk = 0.0017575 k( 81) = ( -0.0409392 0.0369410 0.6734641), wk = 0.0017575 k( 82) = ( -0.0477624 0.0430979 0.6734641), wk = 0.0017575 k( 83) = ( -0.0545856 0.0492547 0.6734641), wk = 0.0017575 k( 84) = ( -0.0614088 0.0554116 0.6734641), wk = 0.0017575 k( 85) = ( -0.0682320 0.0615684 0.6734641), wk = 0.0017575 k( 86) = ( -0.0750552 0.0677252 0.6734641), wk = 0.0017575 k( 87) = ( -0.0818784 0.0738821 0.6734641), wk = 0.0017575 k( 88) = ( -0.0887016 0.0800389 0.6734641), wk = 0.0017575 k( 89) = ( -0.0955248 0.0861958 0.6734641), wk = 0.0017575 k( 90) = ( -0.1023480 0.0923526 0.6734641), wk = 0.0017575 k( 91) = ( -0.1091712 0.0985094 0.6734641), wk = 0.0017575 k( 92) = ( -0.1159944 0.1046663 0.6734641), wk = 0.0017575 k( 93) = ( -0.1228176 0.1108231 0.6734641), wk = 0.0017575 k( 94) = ( -0.1296408 0.1169800 0.6734641), wk = 0.0017575 k( 95) = ( -0.1364640 0.1231368 0.6734641), wk = 0.0017575 k( 96) = ( -0.1432872 0.1292936 0.6734641), wk = 0.0017575 k( 97) = ( -0.1501104 0.1354505 0.6734641), wk = 0.0017575 k( 98) = ( -0.1569336 0.1416073 0.6734641), wk = 0.0017575 k( 99) = ( -0.1637568 0.1477642 0.6734641), wk = 0.0017575 k( 100) = ( -0.1705800 0.1539210 0.6734641), wk = 0.0017575 k( 101) = ( -0.1774032 0.1600778 0.6734641), wk = 0.0017575 k( 102) = ( -0.1842264 0.1662347 0.6734641), wk = 0.0017575 k( 103) = ( -0.1910496 0.1723915 0.6734641), wk = 0.0017575 k( 104) = ( -0.1978728 0.1785484 0.6734641), wk = 0.0017575 k( 105) = ( -0.2046960 0.1847052 0.6734641), wk = 0.0017575 k( 106) = ( -0.2115192 0.1908620 0.6734641), wk = 0.0017575 k( 107) = ( -0.2183424 0.1970189 0.6734641), wk = 0.0017575 k( 108) = ( -0.2251656 0.2031757 0.6734641), wk = 0.0017575 k( 109) = ( -0.2319889 0.2093326 0.6734641), wk = 0.0017575 k( 110) = ( -0.2388121 0.2154894 0.6734641), wk = 0.0017575 k( 111) = ( -0.2456353 0.2216462 0.6734641), wk = 0.0017575 k( 112) = ( -0.2524585 0.2278031 0.6734641), wk = 0.0017575 k( 113) = ( -0.2592817 0.2339599 0.6734641), wk = 0.0017575 k( 114) = ( -0.2661049 0.2401167 0.6734641), wk = 0.0017575 k( 115) = ( -0.2729281 0.2462736 0.6734641), wk = 0.0017575 k( 116) = ( -0.2797513 0.2524304 0.6734641), wk = 0.0017575 k( 117) = ( -0.2865745 0.2585873 0.6734641), wk = 0.0017575 k( 118) = ( -0.2933977 0.2647441 0.6734641), wk = 0.0017575 k( 119) = ( -0.3002209 0.2709009 0.6734641), wk = 0.0017575 k( 120) = ( -0.3070441 0.2770578 0.6734641), wk = 0.0017575 k( 121) = ( -0.3070441 0.2770578 0.6734641), wk = 0.0017575 k( 122) = ( -0.3118680 0.2814106 0.6669666), wk = 0.0017575 k( 123) = ( -0.3166919 0.2857634 0.6604692), wk = 0.0017575 k( 124) = ( -0.3215158 0.2901162 0.6539717), wk = 0.0017575 k( 125) = ( -0.3263397 0.2944690 0.6474743), wk = 0.0017575 k( 126) = ( -0.3311636 0.2988217 0.6409768), wk = 0.0017575 k( 127) = ( -0.3359875 0.3031745 0.6344794), wk = 0.0017575 k( 128) = ( -0.3408114 0.3075273 0.6279819), wk = 0.0017575 k( 129) = ( -0.3456353 0.3118801 0.6214845), wk = 0.0017575 k( 130) = ( -0.3504592 0.3162329 0.6149871), wk = 0.0017575 k( 131) = ( -0.3552831 0.3205857 0.6084896), wk = 0.0017575 k( 132) = ( -0.3601069 0.3249385 0.6019922), wk = 0.0017575 k( 133) = ( -0.3649308 0.3292913 0.5954947), wk = 0.0017575 k( 134) = ( -0.3697548 0.3336441 0.5889973), wk = 0.0017575 k( 135) = ( -0.3745787 0.3379969 0.5824998), wk = 0.0017575 k( 136) = ( -0.3794026 0.3423497 0.5760024), wk = 0.0017575 k( 137) = ( -0.3842264 0.3467024 0.5695050), wk = 0.0017575 k( 138) = ( -0.3890503 0.3510552 0.5630075), wk = 0.0017575 k( 139) = ( -0.3938742 0.3554080 0.5565101), wk = 0.0017575 k( 140) = ( -0.3986981 0.3597608 0.5500126), wk = 0.0017575 k( 141) = ( -0.4035220 0.3641136 0.5435152), wk = 0.0017575 k( 142) = ( -0.4035220 0.3641136 0.5435152), wk = 0.0017575 k( 143) = ( -0.3987182 0.3597789 0.5370448), wk = 0.0017575 k( 144) = ( -0.3939144 0.3554442 0.5305743), wk = 0.0017575 k( 145) = ( -0.3891105 0.3511095 0.5241039), wk = 0.0017575 k( 146) = ( -0.3843067 0.3467749 0.5176335), wk = 0.0017575 k( 147) = ( -0.3795029 0.3424402 0.5111631), wk = 0.0017575 k( 148) = ( -0.3746990 0.3381055 0.5046927), wk = 0.0017575 k( 149) = ( -0.3698952 0.3337708 0.4982222), wk = 0.0017575 k( 150) = ( -0.3650914 0.3294361 0.4917518), wk = 0.0017575 k( 151) = ( -0.3602875 0.3251014 0.4852814), wk = 0.0017575 k( 152) = ( -0.3554837 0.3207667 0.4788110), wk = 0.0017575 k( 153) = ( -0.3506799 0.3164321 0.4723406), wk = 0.0017575 k( 154) = ( -0.3458760 0.3120974 0.4658701), wk = 0.0017575 k( 155) = ( -0.3410722 0.3077627 0.4593997), wk = 0.0017575 k( 156) = ( -0.3362684 0.3034280 0.4529293), wk = 0.0017575 k( 157) = ( -0.3314645 0.2990933 0.4464589), wk = 0.0017575 k( 158) = ( -0.3266607 0.2947586 0.4399885), wk = 0.0017575 k( 159) = ( -0.3218569 0.2904239 0.4335181), wk = 0.0017575 k( 160) = ( -0.3170530 0.2860893 0.4270476), wk = 0.0017575 k( 161) = ( -0.3122492 0.2817546 0.4205772), wk = 0.0017575 k( 162) = ( -0.3074454 0.2774199 0.4141068), wk = 0.0017575 k( 163) = ( -0.3026415 0.2730852 0.4076364), wk = 0.0017575 k( 164) = ( -0.2978377 0.2687505 0.4011660), wk = 0.0017575 k( 165) = ( -0.2930339 0.2644158 0.3946955), wk = 0.0017575 k( 166) = ( -0.2882300 0.2600811 0.3882251), wk = 0.0017575 k( 167) = ( -0.2834262 0.2557465 0.3817547), wk = 0.0017575 k( 168) = ( -0.2786224 0.2514118 0.3752843), wk = 0.0017575 k( 169) = ( -0.2738185 0.2470771 0.3688139), wk = 0.0017575 k( 170) = ( -0.2690147 0.2427424 0.3623434), wk = 0.0017575 k( 171) = ( -0.2642109 0.2384077 0.3558730), wk = 0.0017575 k( 172) = ( -0.2594070 0.2340730 0.3494026), wk = 0.0017575 k( 173) = ( -0.2546032 0.2297383 0.3429322), wk = 0.0017575 k( 174) = ( -0.2497994 0.2254037 0.3364618), wk = 0.0017575 k( 175) = ( -0.2449955 0.2210690 0.3299914), wk = 0.0017575 k( 176) = ( -0.2401917 0.2167343 0.3235209), wk = 0.0017575 k( 177) = ( -0.2353879 0.2123996 0.3170505), wk = 0.0017575 k( 178) = ( -0.2305840 0.2080649 0.3105801), wk = 0.0017575 k( 179) = ( -0.2257802 0.2037302 0.3041097), wk = 0.0017575 k( 180) = ( -0.2209763 0.1993955 0.2976393), wk = 0.0017575 k( 181) = ( -0.2161725 0.1950609 0.2911688), wk = 0.0017575 k( 182) = ( -0.2113687 0.1907262 0.2846984), wk = 0.0017575 k( 183) = ( -0.2065648 0.1863915 0.2782280), wk = 0.0017575 k( 184) = ( -0.2017610 0.1820568 0.2717576), wk = 0.0017575 k( 185) = ( -0.1969572 0.1777221 0.2652872), wk = 0.0017575 k( 186) = ( -0.1921534 0.1733874 0.2588167), wk = 0.0017575 k( 187) = ( -0.1873495 0.1690527 0.2523463), wk = 0.0017575 k( 188) = ( -0.1825457 0.1647181 0.2458759), wk = 0.0017575 k( 189) = ( -0.1777419 0.1603834 0.2394055), wk = 0.0017575 k( 190) = ( -0.1729380 0.1560487 0.2329351), wk = 0.0017575 k( 191) = ( -0.1681342 0.1517140 0.2264647), wk = 0.0017575 k( 192) = ( -0.1633304 0.1473793 0.2199942), wk = 0.0017575 k( 193) = ( -0.1585265 0.1430446 0.2135238), wk = 0.0017575 k( 194) = ( -0.1537227 0.1387099 0.2070534), wk = 0.0017575 k( 195) = ( -0.1489188 0.1343753 0.2005830), wk = 0.0017575 k( 196) = ( -0.1441150 0.1300406 0.1941126), wk = 0.0017575 k( 197) = ( -0.1393112 0.1257059 0.1876421), wk = 0.0017575 k( 198) = ( -0.1345073 0.1213712 0.1811717), wk = 0.0017575 k( 199) = ( -0.1297035 0.1170365 0.1747013), wk = 0.0017575 k( 200) = ( -0.1248997 0.1127018 0.1682309), wk = 0.0017575 k( 201) = ( -0.1200958 0.1083671 0.1617605), wk = 0.0017575 k( 202) = ( -0.1152920 0.1040325 0.1552900), wk = 0.0017575 k( 203) = ( -0.1104882 0.0996978 0.1488196), wk = 0.0017575 k( 204) = ( -0.1056843 0.0953631 0.1423492), wk = 0.0017575 k( 205) = ( -0.1008805 0.0910284 0.1358788), wk = 0.0017575 k( 206) = ( -0.0960767 0.0866937 0.1294084), wk = 0.0017575 k( 207) = ( -0.0912728 0.0823590 0.1229380), wk = 0.0017575 k( 208) = ( -0.0864690 0.0780243 0.1164675), wk = 0.0017575 k( 209) = ( -0.0816652 0.0736897 0.1099971), wk = 0.0017575 k( 210) = ( -0.0768613 0.0693550 0.1035267), wk = 0.0017575 k( 211) = ( -0.0720575 0.0650203 0.0970563), wk = 0.0017575 k( 212) = ( -0.0672537 0.0606856 0.0905859), wk = 0.0017575 k( 213) = ( -0.0624498 0.0563509 0.0841154), wk = 0.0017575 k( 214) = ( -0.0576460 0.0520162 0.0776450), wk = 0.0017575 k( 215) = ( -0.0528422 0.0476815 0.0711746), wk = 0.0017575 k( 216) = ( -0.0480383 0.0433469 0.0647042), wk = 0.0017575 k( 217) = ( -0.0432345 0.0390122 0.0582338), wk = 0.0017575 k( 218) = ( -0.0384307 0.0346775 0.0517633), wk = 0.0017575 k( 219) = ( -0.0336268 0.0303428 0.0452929), wk = 0.0017575 k( 220) = ( -0.0288230 0.0260081 0.0388225), wk = 0.0017575 k( 221) = ( -0.0240192 0.0216734 0.0323521), wk = 0.0017575 k( 222) = ( -0.0192153 0.0173387 0.0258817), wk = 0.0017575 k( 223) = ( -0.0144115 0.0130041 0.0194113), wk = 0.0017575 k( 224) = ( -0.0096077 0.0086694 0.0129408), wk = 0.0017575 k( 225) = ( -0.0048038 0.0043347 0.0064704), wk = 0.0017575 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017575 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017575 k( 228) = ( 0.0061728 0.0068409 -0.0000000), wk = 0.0017575 k( 229) = ( 0.0123457 0.0136819 -0.0000000), wk = 0.0017575 k( 230) = ( 0.0185185 0.0205228 -0.0000000), wk = 0.0017575 k( 231) = ( 0.0246914 0.0273637 -0.0000000), wk = 0.0017575 k( 232) = ( 0.0308642 0.0342047 -0.0000000), wk = 0.0017575 k( 233) = ( 0.0370370 0.0410456 -0.0000000), wk = 0.0017575 k( 234) = ( 0.0432099 0.0478865 -0.0000000), wk = 0.0017575 k( 235) = ( 0.0493827 0.0547275 -0.0000000), wk = 0.0017575 k( 236) = ( 0.0555556 0.0615684 -0.0000000), wk = 0.0017575 k( 237) = ( 0.0617284 0.0684093 -0.0000000), wk = 0.0017575 k( 238) = ( 0.0679012 0.0752503 -0.0000000), wk = 0.0017575 k( 239) = ( 0.0740741 0.0820912 -0.0000000), wk = 0.0017575 k( 240) = ( 0.0802469 0.0889321 -0.0000000), wk = 0.0017575 k( 241) = ( 0.0864198 0.0957731 -0.0000000), wk = 0.0017575 k( 242) = ( 0.0925926 0.1026140 -0.0000000), wk = 0.0017575 k( 243) = ( 0.0987654 0.1094549 -0.0000000), wk = 0.0017575 k( 244) = ( 0.1049383 0.1162959 -0.0000000), wk = 0.0017575 k( 245) = ( 0.1111111 0.1231368 -0.0000000), wk = 0.0017575 k( 246) = ( 0.1172839 0.1299777 -0.0000000), wk = 0.0017575 k( 247) = ( 0.1234568 0.1368187 -0.0000000), wk = 0.0017575 k( 248) = ( 0.1296296 0.1436596 -0.0000000), wk = 0.0017575 k( 249) = ( 0.1358025 0.1505005 -0.0000000), wk = 0.0017575 k( 250) = ( 0.1419753 0.1573415 -0.0000000), wk = 0.0017575 k( 251) = ( 0.1481482 0.1641824 -0.0000000), wk = 0.0017575 k( 252) = ( 0.1543210 0.1710233 -0.0000000), wk = 0.0017575 k( 253) = ( 0.1604938 0.1778643 -0.0000000), wk = 0.0017575 k( 254) = ( 0.1666667 0.1847052 -0.0000000), wk = 0.0017575 k( 255) = ( 0.1728395 0.1915461 -0.0000000), wk = 0.0017575 k( 256) = ( 0.1790123 0.1983871 -0.0000000), wk = 0.0017575 k( 257) = ( 0.1851852 0.2052280 -0.0000000), wk = 0.0017575 k( 258) = ( 0.1913580 0.2120689 -0.0000000), wk = 0.0017575 k( 259) = ( 0.1975309 0.2189099 -0.0000000), wk = 0.0017575 k( 260) = ( 0.2037037 0.2257508 -0.0000000), wk = 0.0017575 k( 261) = ( 0.2098765 0.2325917 -0.0000000), wk = 0.0017575 k( 262) = ( 0.2160494 0.2394327 -0.0000000), wk = 0.0017575 k( 263) = ( 0.2222222 0.2462736 -0.0000000), wk = 0.0017575 k( 264) = ( 0.2283951 0.2531145 -0.0000000), wk = 0.0017575 k( 265) = ( 0.2345679 0.2599555 -0.0000000), wk = 0.0017575 k( 266) = ( 0.2407407 0.2667964 -0.0000000), wk = 0.0017575 k( 267) = ( 0.2469136 0.2736373 -0.0000000), wk = 0.0017575 k( 268) = ( 0.2530864 0.2804783 -0.0000000), wk = 0.0017575 k( 269) = ( 0.2592593 0.2873192 -0.0000000), wk = 0.0017575 k( 270) = ( 0.2654321 0.2941601 -0.0000000), wk = 0.0017575 k( 271) = ( 0.2716049 0.3010011 -0.0000000), wk = 0.0017575 k( 272) = ( 0.2777778 0.3078420 -0.0000000), wk = 0.0017575 k( 273) = ( 0.2839506 0.3146829 -0.0000000), wk = 0.0017575 k( 274) = ( 0.2901235 0.3215239 -0.0000000), wk = 0.0017575 k( 275) = ( 0.2962963 0.3283648 -0.0000000), wk = 0.0017575 k( 276) = ( 0.3024691 0.3352057 -0.0000000), wk = 0.0017575 k( 277) = ( 0.3086420 0.3420467 -0.0000000), wk = 0.0017575 k( 278) = ( 0.3148148 0.3488876 -0.0000000), wk = 0.0017575 k( 279) = ( 0.3209877 0.3557285 -0.0000000), wk = 0.0017575 k( 280) = ( 0.3271605 0.3625694 -0.0000000), wk = 0.0017575 k( 281) = ( 0.3333333 0.3694104 -0.0000000), wk = 0.0017575 k( 282) = ( 0.3395062 0.3762513 -0.0000000), wk = 0.0017575 k( 283) = ( 0.3456790 0.3830922 -0.0000000), wk = 0.0017575 k( 284) = ( 0.3518519 0.3899332 -0.0000000), wk = 0.0017575 k( 285) = ( 0.3580247 0.3967741 -0.0000000), wk = 0.0017575 k( 286) = ( 0.3641975 0.4036151 -0.0000000), wk = 0.0017575 k( 287) = ( 0.3703704 0.4104560 -0.0000000), wk = 0.0017575 k( 288) = ( 0.3765432 0.4172969 -0.0000000), wk = 0.0017575 k( 289) = ( 0.3827160 0.4241379 -0.0000000), wk = 0.0017575 k( 290) = ( 0.3888889 0.4309788 -0.0000000), wk = 0.0017575 k( 291) = ( 0.3950617 0.4378197 -0.0000000), wk = 0.0017575 k( 292) = ( 0.4012346 0.4446607 -0.0000000), wk = 0.0017575 k( 293) = ( 0.4074074 0.4515016 -0.0000000), wk = 0.0017575 k( 294) = ( 0.4135802 0.4583425 -0.0000000), wk = 0.0017575 k( 295) = ( 0.4197531 0.4651835 -0.0000000), wk = 0.0017575 k( 296) = ( 0.4259259 0.4720244 -0.0000000), wk = 0.0017575 k( 297) = ( 0.4320988 0.4788653 -0.0000000), wk = 0.0017575 k( 298) = ( 0.4382716 0.4857062 -0.0000000), wk = 0.0017575 k( 299) = ( 0.4444444 0.4925472 -0.0000000), wk = 0.0017575 k( 300) = ( 0.4506173 0.4993881 -0.0000000), wk = 0.0017575 k( 301) = ( 0.4567901 0.5062290 -0.0000000), wk = 0.0017575 k( 302) = ( 0.4629630 0.5130700 -0.0000000), wk = 0.0017575 k( 303) = ( 0.4691358 0.5199109 -0.0000000), wk = 0.0017575 k( 304) = ( 0.4753086 0.5267518 -0.0000000), wk = 0.0017575 k( 305) = ( 0.4814815 0.5335928 -0.0000000), wk = 0.0017575 k( 306) = ( 0.4876543 0.5404337 -0.0000000), wk = 0.0017575 k( 307) = ( 0.4938272 0.5472746 -0.0000000), wk = 0.0017575 k( 308) = ( 0.5000000 0.5541156 -0.0000000), wk = 0.0017575 k( 309) = ( 0.5000000 0.5541156 -0.0000000), wk = 0.0017575 k( 310) = ( 0.4951761 0.5584684 0.0064974), wk = 0.0017575 k( 311) = ( 0.4903522 0.5628212 0.0129949), wk = 0.0017575 k( 312) = ( 0.4855283 0.5671739 0.0194923), wk = 0.0017575 k( 313) = ( 0.4807044 0.5715267 0.0259898), wk = 0.0017575 k( 314) = ( 0.4758805 0.5758795 0.0324872), wk = 0.0017575 k( 315) = ( 0.4710566 0.5802323 0.0389847), wk = 0.0017575 k( 316) = ( 0.4662327 0.5845851 0.0454821), wk = 0.0017575 k( 317) = ( 0.4614088 0.5889379 0.0519796), wk = 0.0017575 k( 318) = ( 0.4565849 0.5932907 0.0584770), wk = 0.0017575 k( 319) = ( 0.4517610 0.5976435 0.0649744), wk = 0.0017575 k( 320) = ( 0.4469371 0.6019963 0.0714719), wk = 0.0017575 k( 321) = ( 0.4421132 0.6063491 0.0779693), wk = 0.0017575 k( 322) = ( 0.4372893 0.6107019 0.0844668), wk = 0.0017575 k( 323) = ( 0.4324654 0.6150546 0.0909642), wk = 0.0017575 k( 324) = ( 0.4276415 0.6194074 0.0974617), wk = 0.0017575 k( 325) = ( 0.4228176 0.6237602 0.1039591), wk = 0.0017575 k( 326) = ( 0.4179937 0.6281130 0.1104566), wk = 0.0017575 k( 327) = ( 0.4131698 0.6324658 0.1169540), wk = 0.0017575 k( 328) = ( 0.4083459 0.6368186 0.1234514), wk = 0.0017575 k( 329) = ( 0.4035220 0.6411714 0.1299489), wk = 0.0017575 k( 330) = ( 0.4035220 0.6411714 0.1299489), wk = 0.0017575 k( 331) = ( 0.3957620 0.6385074 0.1339255), wk = 0.0017575 k( 332) = ( 0.3880020 0.6358434 0.1379021), wk = 0.0017575 k( 333) = ( 0.3802419 0.6331793 0.1418787), wk = 0.0017575 k( 334) = ( 0.3724819 0.6305153 0.1458553), wk = 0.0017575 k( 335) = ( 0.3647218 0.6278513 0.1498319), wk = 0.0017575 k( 336) = ( 0.3569618 0.6251873 0.1538085), wk = 0.0017575 k( 337) = ( 0.3492018 0.6225233 0.1577851), wk = 0.0017575 k( 338) = ( 0.3414417 0.6198593 0.1617617), wk = 0.0017575 k( 339) = ( 0.3336817 0.6171952 0.1657383), wk = 0.0017575 k( 340) = ( 0.3259217 0.6145312 0.1697149), wk = 0.0017575 k( 341) = ( 0.3181616 0.6118672 0.1736915), wk = 0.0017575 k( 342) = ( 0.3104016 0.6092032 0.1776681), wk = 0.0017575 k( 343) = ( 0.3026415 0.6065392 0.1816447), wk = 0.0017575 k( 344) = ( 0.2948815 0.6038752 0.1856213), wk = 0.0017575 k( 345) = ( 0.2871215 0.6012111 0.1895979), wk = 0.0017575 k( 346) = ( 0.2793614 0.5985471 0.1935745), wk = 0.0017575 k( 347) = ( 0.2716014 0.5958831 0.1975511), wk = 0.0017575 k( 348) = ( 0.2638413 0.5932191 0.2015277), wk = 0.0017575 k( 349) = ( 0.2560813 0.5905551 0.2055043), wk = 0.0017575 k( 350) = ( 0.2483212 0.5878910 0.2094809), wk = 0.0017575 k( 351) = ( 0.2405612 0.5852270 0.2134575), wk = 0.0017575 k( 352) = ( 0.2328012 0.5825630 0.2174341), wk = 0.0017575 k( 353) = ( 0.2250411 0.5798990 0.2214107), wk = 0.0017575 k( 354) = ( 0.2172811 0.5772350 0.2253873), wk = 0.0017575 k( 355) = ( 0.2095211 0.5745710 0.2293639), wk = 0.0017575 k( 356) = ( 0.2017610 0.5719069 0.2333405), wk = 0.0017575 k( 357) = ( 0.1940010 0.5692429 0.2373171), wk = 0.0017575 k( 358) = ( 0.1862409 0.5665789 0.2412937), wk = 0.0017575 k( 359) = ( 0.1784809 0.5639149 0.2452702), wk = 0.0017575 k( 360) = ( 0.1707209 0.5612509 0.2492469), wk = 0.0017575 k( 361) = ( 0.1629608 0.5585869 0.2532234), wk = 0.0017575 k( 362) = ( 0.1552008 0.5559228 0.2572001), wk = 0.0017575 k( 363) = ( 0.1474407 0.5532588 0.2611766), wk = 0.0017575 k( 364) = ( 0.1396807 0.5505948 0.2651532), wk = 0.0017575 k( 365) = ( 0.1319207 0.5479308 0.2691298), wk = 0.0017575 k( 366) = ( 0.1241606 0.5452668 0.2731064), wk = 0.0017575 k( 367) = ( 0.1164006 0.5426028 0.2770830), wk = 0.0017575 k( 368) = ( 0.1086406 0.5399387 0.2810596), wk = 0.0017575 k( 369) = ( 0.1008805 0.5372747 0.2850362), wk = 0.0017575 k( 370) = ( 0.0931205 0.5346107 0.2890128), wk = 0.0017575 k( 371) = ( 0.0853604 0.5319467 0.2929894), wk = 0.0017575 k( 372) = ( 0.0776004 0.5292827 0.2969660), wk = 0.0017575 k( 373) = ( 0.0698403 0.5266187 0.3009426), wk = 0.0017575 k( 374) = ( 0.0620803 0.5239546 0.3049192), wk = 0.0017575 k( 375) = ( 0.0543203 0.5212906 0.3088958), wk = 0.0017575 k( 376) = ( 0.0465602 0.5186266 0.3128724), wk = 0.0017575 k( 377) = ( 0.0388002 0.5159626 0.3168490), wk = 0.0017575 k( 378) = ( 0.0310402 0.5132986 0.3208256), wk = 0.0017575 k( 379) = ( 0.0232801 0.5106346 0.3248022), wk = 0.0017575 k( 380) = ( 0.0155201 0.5079705 0.3287788), wk = 0.0017575 k( 381) = ( 0.0077600 0.5053065 0.3327554), wk = 0.0017575 k( 382) = ( 0.0000000 0.5026425 0.3367320), wk = 0.0017575 k( 383) = ( 0.0000000 0.5026425 0.3367320), wk = 0.0017575 k( 384) = ( 0.0048077 0.4983043 0.3432076), wk = 0.0017575 k( 385) = ( 0.0096154 0.4939662 0.3496833), wk = 0.0017575 k( 386) = ( 0.0144231 0.4896280 0.3561589), wk = 0.0017575 k( 387) = ( 0.0192308 0.4852898 0.3626345), wk = 0.0017575 k( 388) = ( 0.0240385 0.4809517 0.3691101), wk = 0.0017575 k( 389) = ( 0.0288462 0.4766135 0.3755857), wk = 0.0017575 k( 390) = ( 0.0336538 0.4722753 0.3820613), wk = 0.0017575 k( 391) = ( 0.0384615 0.4679372 0.3885370), wk = 0.0017575 k( 392) = ( 0.0432692 0.4635990 0.3950126), wk = 0.0017575 k( 393) = ( 0.0480769 0.4592608 0.4014882), wk = 0.0017575 k( 394) = ( 0.0528846 0.4549226 0.4079638), wk = 0.0017575 k( 395) = ( 0.0576923 0.4505845 0.4144394), wk = 0.0017575 k( 396) = ( 0.0625000 0.4462463 0.4209150), wk = 0.0017575 k( 397) = ( 0.0673077 0.4419082 0.4273906), wk = 0.0017575 k( 398) = ( 0.0721154 0.4375700 0.4338663), wk = 0.0017575 k( 399) = ( 0.0769231 0.4332318 0.4403419), wk = 0.0017575 k( 400) = ( 0.0817308 0.4288936 0.4468175), wk = 0.0017575 k( 401) = ( 0.0865385 0.4245555 0.4532931), wk = 0.0017575 k( 402) = ( 0.0913462 0.4202173 0.4597687), wk = 0.0017575 k( 403) = ( 0.0961538 0.4158791 0.4662444), wk = 0.0017575 k( 404) = ( 0.1009615 0.4115410 0.4727200), wk = 0.0017575 k( 405) = ( 0.1057692 0.4072028 0.4791956), wk = 0.0017575 k( 406) = ( 0.1105769 0.4028646 0.4856712), wk = 0.0017575 k( 407) = ( 0.1153846 0.3985265 0.4921468), wk = 0.0017575 k( 408) = ( 0.1201923 0.3941883 0.4986224), wk = 0.0017575 k( 409) = ( 0.1250000 0.3898501 0.5050980), wk = 0.0017575 k( 410) = ( 0.1298077 0.3855120 0.5115737), wk = 0.0017575 k( 411) = ( 0.1346154 0.3811738 0.5180493), wk = 0.0017575 k( 412) = ( 0.1394231 0.3768356 0.5245249), wk = 0.0017575 k( 413) = ( 0.1442308 0.3724975 0.5310005), wk = 0.0017575 k( 414) = ( 0.1490385 0.3681593 0.5374761), wk = 0.0017575 k( 415) = ( 0.1538461 0.3638211 0.5439517), wk = 0.0017575 k( 416) = ( 0.1586539 0.3594830 0.5504274), wk = 0.0017575 k( 417) = ( 0.1634615 0.3551448 0.5569030), wk = 0.0017575 k( 418) = ( 0.1682692 0.3508066 0.5633786), wk = 0.0017575 k( 419) = ( 0.1730769 0.3464685 0.5698542), wk = 0.0017575 k( 420) = ( 0.1778846 0.3421303 0.5763298), wk = 0.0017575 k( 421) = ( 0.1826923 0.3377921 0.5828054), wk = 0.0017575 k( 422) = ( 0.1875000 0.3334540 0.5892811), wk = 0.0017575 k( 423) = ( 0.1923077 0.3291158 0.5957567), wk = 0.0017575 k( 424) = ( 0.1971154 0.3247776 0.6022323), wk = 0.0017575 k( 425) = ( 0.2019231 0.3204395 0.6087079), wk = 0.0017575 k( 426) = ( 0.2067308 0.3161013 0.6151835), wk = 0.0017575 k( 427) = ( 0.2115385 0.3117631 0.6216591), wk = 0.0017575 k( 428) = ( 0.2163461 0.3074250 0.6281347), wk = 0.0017575 k( 429) = ( 0.2211539 0.3030868 0.6346104), wk = 0.0017575 k( 430) = ( 0.2259615 0.2987486 0.6410860), wk = 0.0017575 k( 431) = ( 0.2307692 0.2944105 0.6475616), wk = 0.0017575 k( 432) = ( 0.2355769 0.2900723 0.6540372), wk = 0.0017575 k( 433) = ( 0.2403846 0.2857341 0.6605128), wk = 0.0017575 k( 434) = ( 0.2451923 0.2813960 0.6669884), wk = 0.0017575 k( 435) = ( 0.2500000 0.2770578 0.6734641), wk = 0.0017575 k( 436) = ( 0.2500000 0.2770578 0.6734641), wk = 0.0017575 k( 437) = ( 0.2540984 0.2815997 0.6666843), wk = 0.0017575 k( 438) = ( 0.2581967 0.2861416 0.6599045), wk = 0.0017575 k( 439) = ( 0.2622951 0.2906836 0.6531247), wk = 0.0017575 k( 440) = ( 0.2663934 0.2952255 0.6463450), wk = 0.0017575 k( 441) = ( 0.2704918 0.2997674 0.6395652), wk = 0.0017575 k( 442) = ( 0.2745902 0.3043094 0.6327854), wk = 0.0017575 k( 443) = ( 0.2786885 0.3088513 0.6260056), wk = 0.0017575 k( 444) = ( 0.2827869 0.3133932 0.6192259), wk = 0.0017575 k( 445) = ( 0.2868852 0.3179352 0.6124461), wk = 0.0017575 k( 446) = ( 0.2909836 0.3224771 0.6056663), wk = 0.0017575 k( 447) = ( 0.2950820 0.3270190 0.5988865), wk = 0.0017575 k( 448) = ( 0.2991803 0.3315610 0.5921068), wk = 0.0017575 k( 449) = ( 0.3032787 0.3361029 0.5853270), wk = 0.0017575 k( 450) = ( 0.3073770 0.3406448 0.5785472), wk = 0.0017575 k( 451) = ( 0.3114754 0.3451868 0.5717674), wk = 0.0017575 k( 452) = ( 0.3155738 0.3497287 0.5649877), wk = 0.0017575 k( 453) = ( 0.3196721 0.3542706 0.5582079), wk = 0.0017575 k( 454) = ( 0.3237705 0.3588125 0.5514281), wk = 0.0017575 k( 455) = ( 0.3278688 0.3633545 0.5446483), wk = 0.0017575 k( 456) = ( 0.3319672 0.3678964 0.5378685), wk = 0.0017575 k( 457) = ( 0.3360656 0.3724383 0.5310888), wk = 0.0017575 k( 458) = ( 0.3401639 0.3769803 0.5243090), wk = 0.0017575 k( 459) = ( 0.3442623 0.3815222 0.5175292), wk = 0.0017575 k( 460) = ( 0.3483607 0.3860641 0.5107495), wk = 0.0017575 k( 461) = ( 0.3524590 0.3906061 0.5039697), wk = 0.0017575 k( 462) = ( 0.3565574 0.3951480 0.4971899), wk = 0.0017575 k( 463) = ( 0.3606557 0.3996899 0.4904101), wk = 0.0017575 k( 464) = ( 0.3647541 0.4042319 0.4836304), wk = 0.0017575 k( 465) = ( 0.3688525 0.4087738 0.4768506), wk = 0.0017575 k( 466) = ( 0.3729508 0.4133157 0.4700708), wk = 0.0017575 k( 467) = ( 0.3770492 0.4178576 0.4632910), wk = 0.0017575 k( 468) = ( 0.3811475 0.4223996 0.4565112), wk = 0.0017575 k( 469) = ( 0.3852459 0.4269415 0.4497315), wk = 0.0017575 k( 470) = ( 0.3893443 0.4314834 0.4429517), wk = 0.0017575 k( 471) = ( 0.3934426 0.4360254 0.4361719), wk = 0.0017575 k( 472) = ( 0.3975410 0.4405673 0.4293921), wk = 0.0017575 k( 473) = ( 0.4016393 0.4451092 0.4226124), wk = 0.0017575 k( 474) = ( 0.4057377 0.4496512 0.4158326), wk = 0.0017575 k( 475) = ( 0.4098361 0.4541931 0.4090528), wk = 0.0017575 k( 476) = ( 0.4139344 0.4587350 0.4022731), wk = 0.0017575 k( 477) = ( 0.4180328 0.4632770 0.3954933), wk = 0.0017575 k( 478) = ( 0.4221312 0.4678189 0.3887135), wk = 0.0017575 k( 479) = ( 0.4262295 0.4723608 0.3819337), wk = 0.0017575 k( 480) = ( 0.4303279 0.4769028 0.3751539), wk = 0.0017575 k( 481) = ( 0.4344262 0.4814447 0.3683742), wk = 0.0017575 k( 482) = ( 0.4385246 0.4859866 0.3615944), wk = 0.0017575 k( 483) = ( 0.4426230 0.4905285 0.3548146), wk = 0.0017575 k( 484) = ( 0.4467213 0.4950705 0.3480348), wk = 0.0017575 k( 485) = ( 0.4508197 0.4996124 0.3412551), wk = 0.0017575 k( 486) = ( 0.4549180 0.5041543 0.3344753), wk = 0.0017575 k( 487) = ( 0.4590164 0.5086963 0.3276955), wk = 0.0017575 k( 488) = ( 0.4631148 0.5132382 0.3209157), wk = 0.0017575 k( 489) = ( 0.4672131 0.5177801 0.3141360), wk = 0.0017575 k( 490) = ( 0.4713115 0.5223221 0.3073562), wk = 0.0017575 k( 491) = ( 0.4754098 0.5268640 0.3005764), wk = 0.0017575 k( 492) = ( 0.4795082 0.5314059 0.2937966), wk = 0.0017575 k( 493) = ( 0.4836066 0.5359479 0.2870169), wk = 0.0017575 k( 494) = ( 0.4877049 0.5404898 0.2802371), wk = 0.0017575 k( 495) = ( 0.4918033 0.5450317 0.2734573), wk = 0.0017575 k( 496) = ( 0.4959016 0.5495736 0.2666775), wk = 0.0017575 k( 497) = ( 0.5000000 0.5541156 0.2598978), wk = 0.0017575 k( 498) = ( 0.5000000 0.5541156 0.2598978), wk = 0.0017575 k( 499) = ( 0.5000000 0.5541156 0.2509358), wk = 0.0017575 k( 500) = ( 0.5000000 0.5541156 0.2419738), wk = 0.0017575 k( 501) = ( 0.5000000 0.5541156 0.2330118), wk = 0.0017575 k( 502) = ( 0.5000000 0.5541156 0.2240498), wk = 0.0017575 k( 503) = ( 0.5000000 0.5541156 0.2150878), wk = 0.0017575 k( 504) = ( 0.5000000 0.5541156 0.2061258), wk = 0.0017575 k( 505) = ( 0.5000000 0.5541156 0.1971638), wk = 0.0017575 k( 506) = ( 0.5000000 0.5541156 0.1882018), wk = 0.0017575 k( 507) = ( 0.5000000 0.5541156 0.1792398), wk = 0.0017575 k( 508) = ( 0.5000000 0.5541156 0.1702778), wk = 0.0017575 k( 509) = ( 0.5000000 0.5541156 0.1613159), wk = 0.0017575 k( 510) = ( 0.5000000 0.5541156 0.1523539), wk = 0.0017575 k( 511) = ( 0.5000000 0.5541156 0.1433919), wk = 0.0017575 k( 512) = ( 0.5000000 0.5541156 0.1344299), wk = 0.0017575 k( 513) = ( 0.5000000 0.5541156 0.1254679), wk = 0.0017575 k( 514) = ( 0.5000000 0.5541156 0.1165059), wk = 0.0017575 k( 515) = ( 0.5000000 0.5541156 0.1075439), wk = 0.0017575 k( 516) = ( 0.5000000 0.5541156 0.0985819), wk = 0.0017575 k( 517) = ( 0.5000000 0.5541156 0.0896199), wk = 0.0017575 k( 518) = ( 0.5000000 0.5541156 0.0806579), wk = 0.0017575 k( 519) = ( 0.5000000 0.5541156 0.0716959), wk = 0.0017575 k( 520) = ( 0.5000000 0.5541156 0.0627339), wk = 0.0017575 k( 521) = ( 0.5000000 0.5541156 0.0537720), wk = 0.0017575 k( 522) = ( 0.5000000 0.5541156 0.0448100), wk = 0.0017575 k( 523) = ( 0.5000000 0.5541156 0.0358480), wk = 0.0017575 k( 524) = ( 0.5000000 0.5541156 0.0268860), wk = 0.0017575 k( 525) = ( 0.5000000 0.5541156 0.0179240), wk = 0.0017575 k( 526) = ( 0.5000000 0.5541156 0.0089620), wk = 0.0017575 k( 527) = ( 0.5000000 0.5541156 -0.0000000), wk = 0.0017575 k( 528) = ( 0.0000000 0.0000000 0.6734641), wk = 0.0017575 k( 529) = ( 0.0060976 0.0067575 0.6734641), wk = 0.0017575 k( 530) = ( 0.0121951 0.0135150 0.6734641), wk = 0.0017575 k( 531) = ( 0.0182927 0.0202725 0.6734641), wk = 0.0017575 k( 532) = ( 0.0243902 0.0270300 0.6734641), wk = 0.0017575 k( 533) = ( 0.0304878 0.0337875 0.6734641), wk = 0.0017575 k( 534) = ( 0.0365854 0.0405450 0.6734641), wk = 0.0017575 k( 535) = ( 0.0426829 0.0473026 0.6734641), wk = 0.0017575 k( 536) = ( 0.0487805 0.0540601 0.6734641), wk = 0.0017575 k( 537) = ( 0.0548780 0.0608176 0.6734641), wk = 0.0017575 k( 538) = ( 0.0609756 0.0675751 0.6734641), wk = 0.0017575 k( 539) = ( 0.0670732 0.0743326 0.6734641), wk = 0.0017575 k( 540) = ( 0.0731707 0.0810901 0.6734641), wk = 0.0017575 k( 541) = ( 0.0792683 0.0878476 0.6734641), wk = 0.0017575 k( 542) = ( 0.0853658 0.0946051 0.6734641), wk = 0.0017575 k( 543) = ( 0.0914634 0.1013626 0.6734641), wk = 0.0017575 k( 544) = ( 0.0975610 0.1081201 0.6734641), wk = 0.0017575 k( 545) = ( 0.1036585 0.1148776 0.6734641), wk = 0.0017575 k( 546) = ( 0.1097561 0.1216351 0.6734641), wk = 0.0017575 k( 547) = ( 0.1158537 0.1283926 0.6734641), wk = 0.0017575 k( 548) = ( 0.1219512 0.1351501 0.6734641), wk = 0.0017575 k( 549) = ( 0.1280488 0.1419076 0.6734641), wk = 0.0017575 k( 550) = ( 0.1341463 0.1486652 0.6734641), wk = 0.0017575 k( 551) = ( 0.1402439 0.1554227 0.6734641), wk = 0.0017575 k( 552) = ( 0.1463415 0.1621802 0.6734641), wk = 0.0017575 k( 553) = ( 0.1524390 0.1689377 0.6734641), wk = 0.0017575 k( 554) = ( 0.1585366 0.1756952 0.6734641), wk = 0.0017575 k( 555) = ( 0.1646342 0.1824527 0.6734641), wk = 0.0017575 k( 556) = ( 0.1707317 0.1892102 0.6734641), wk = 0.0017575 k( 557) = ( 0.1768293 0.1959677 0.6734641), wk = 0.0017575 k( 558) = ( 0.1829268 0.2027252 0.6734641), wk = 0.0017575 k( 559) = ( 0.1890244 0.2094827 0.6734641), wk = 0.0017575 k( 560) = ( 0.1951219 0.2162402 0.6734641), wk = 0.0017575 k( 561) = ( 0.2012195 0.2229977 0.6734641), wk = 0.0017575 k( 562) = ( 0.2073171 0.2297552 0.6734641), wk = 0.0017575 k( 563) = ( 0.2134146 0.2365127 0.6734641), wk = 0.0017575 k( 564) = ( 0.2195122 0.2432703 0.6734641), wk = 0.0017575 k( 565) = ( 0.2256098 0.2500278 0.6734641), wk = 0.0017575 k( 566) = ( 0.2317073 0.2567853 0.6734641), wk = 0.0017575 k( 567) = ( 0.2378049 0.2635428 0.6734641), wk = 0.0017575 k( 568) = ( 0.2439024 0.2703003 0.6734641), wk = 0.0017575 k( 569) = ( 0.2500000 0.2770578 0.6734641), wk = 0.0017575 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017575 k( 2) = ( 0.0000000 0.0000000 0.0068493), wk = 0.0017575 k( 3) = ( 0.0000000 0.0000000 0.0136986), wk = 0.0017575 k( 4) = ( 0.0000000 0.0000000 0.0205479), wk = 0.0017575 k( 5) = ( 0.0000000 0.0000000 0.0273973), wk = 0.0017575 k( 6) = ( 0.0000000 0.0000000 0.0342466), wk = 0.0017575 k( 7) = ( 0.0000000 0.0000000 0.0410959), wk = 0.0017575 k( 8) = ( 0.0000000 0.0000000 0.0479452), wk = 0.0017575 k( 9) = ( 0.0000000 0.0000000 0.0547945), wk = 0.0017575 k( 10) = ( 0.0000000 0.0000000 0.0616438), wk = 0.0017575 k( 11) = ( 0.0000000 0.0000000 0.0684932), wk = 0.0017575 k( 12) = ( 0.0000000 0.0000000 0.0753425), wk = 0.0017575 k( 13) = ( 0.0000000 0.0000000 0.0821918), wk = 0.0017575 k( 14) = ( 0.0000000 0.0000000 0.0890411), wk = 0.0017575 k( 15) = ( 0.0000000 0.0000000 0.0958904), wk = 0.0017575 k( 16) = ( 0.0000000 0.0000000 0.1027397), wk = 0.0017575 k( 17) = ( 0.0000000 0.0000000 0.1095890), wk = 0.0017575 k( 18) = ( 0.0000000 0.0000000 0.1164384), wk = 0.0017575 k( 19) = ( 0.0000000 0.0000000 0.1232877), wk = 0.0017575 k( 20) = ( 0.0000000 0.0000000 0.1301370), wk = 0.0017575 k( 21) = ( 0.0000000 0.0000000 0.1369863), wk = 0.0017575 k( 22) = ( 0.0000000 0.0000000 0.1438356), wk = 0.0017575 k( 23) = ( 0.0000000 0.0000000 0.1506849), wk = 0.0017575 k( 24) = ( 0.0000000 0.0000000 0.1575342), wk = 0.0017575 k( 25) = ( 0.0000000 0.0000000 0.1643836), wk = 0.0017575 k( 26) = ( 0.0000000 0.0000000 0.1712329), wk = 0.0017575 k( 27) = ( 0.0000000 0.0000000 0.1780822), wk = 0.0017575 k( 28) = ( 0.0000000 0.0000000 0.1849315), wk = 0.0017575 k( 29) = ( 0.0000000 0.0000000 0.1917808), wk = 0.0017575 k( 30) = ( 0.0000000 0.0000000 0.1986301), wk = 0.0017575 k( 31) = ( 0.0000000 0.0000000 0.2054795), wk = 0.0017575 k( 32) = ( 0.0000000 0.0000000 0.2123288), wk = 0.0017575 k( 33) = ( 0.0000000 0.0000000 0.2191781), wk = 0.0017575 k( 34) = ( 0.0000000 0.0000000 0.2260274), wk = 0.0017575 k( 35) = ( 0.0000000 0.0000000 0.2328767), wk = 0.0017575 k( 36) = ( 0.0000000 0.0000000 0.2397260), wk = 0.0017575 k( 37) = ( 0.0000000 0.0000000 0.2465753), wk = 0.0017575 k( 38) = ( 0.0000000 0.0000000 0.2534247), wk = 0.0017575 k( 39) = ( 0.0000000 0.0000000 0.2602740), wk = 0.0017575 k( 40) = ( 0.0000000 0.0000000 0.2671233), wk = 0.0017575 k( 41) = ( 0.0000000 0.0000000 0.2739726), wk = 0.0017575 k( 42) = ( 0.0000000 0.0000000 0.2808219), wk = 0.0017575 k( 43) = ( 0.0000000 0.0000000 0.2876712), wk = 0.0017575 k( 44) = ( 0.0000000 0.0000000 0.2945205), wk = 0.0017575 k( 45) = ( 0.0000000 0.0000000 0.3013699), wk = 0.0017575 k( 46) = ( 0.0000000 0.0000000 0.3082192), wk = 0.0017575 k( 47) = ( 0.0000000 0.0000000 0.3150685), wk = 0.0017575 k( 48) = ( 0.0000000 0.0000000 0.3219178), wk = 0.0017575 k( 49) = ( 0.0000000 0.0000000 0.3287671), wk = 0.0017575 k( 50) = ( 0.0000000 0.0000000 0.3356164), wk = 0.0017575 k( 51) = ( 0.0000000 0.0000000 0.3424658), wk = 0.0017575 k( 52) = ( 0.0000000 0.0000000 0.3493151), wk = 0.0017575 k( 53) = ( 0.0000000 0.0000000 0.3561644), wk = 0.0017575 k( 54) = ( 0.0000000 0.0000000 0.3630137), wk = 0.0017575 k( 55) = ( 0.0000000 0.0000000 0.3698630), wk = 0.0017575 k( 56) = ( 0.0000000 0.0000000 0.3767123), wk = 0.0017575 k( 57) = ( 0.0000000 0.0000000 0.3835616), wk = 0.0017575 k( 58) = ( 0.0000000 0.0000000 0.3904110), wk = 0.0017575 k( 59) = ( 0.0000000 0.0000000 0.3972603), wk = 0.0017575 k( 60) = ( 0.0000000 0.0000000 0.4041096), wk = 0.0017575 k( 61) = ( 0.0000000 0.0000000 0.4109589), wk = 0.0017575 k( 62) = ( 0.0000000 0.0000000 0.4178082), wk = 0.0017575 k( 63) = ( 0.0000000 0.0000000 0.4246575), wk = 0.0017575 k( 64) = ( 0.0000000 0.0000000 0.4315068), wk = 0.0017575 k( 65) = ( 0.0000000 0.0000000 0.4383562), wk = 0.0017575 k( 66) = ( 0.0000000 0.0000000 0.4452055), wk = 0.0017575 k( 67) = ( 0.0000000 0.0000000 0.4520548), wk = 0.0017575 k( 68) = ( 0.0000000 0.0000000 0.4589041), wk = 0.0017575 k( 69) = ( 0.0000000 0.0000000 0.4657534), wk = 0.0017575 k( 70) = ( 0.0000000 0.0000000 0.4726027), wk = 0.0017575 k( 71) = ( 0.0000000 0.0000000 0.4794520), wk = 0.0017575 k( 72) = ( 0.0000000 0.0000000 0.4863014), wk = 0.0017575 k( 73) = ( 0.0000000 0.0000000 0.4931507), wk = 0.0017575 k( 74) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017575 k( 75) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017575 k( 76) = ( -0.0068232 0.0068232 0.5000000), wk = 0.0017575 k( 77) = ( -0.0136464 0.0136464 0.5000000), wk = 0.0017575 k( 78) = ( -0.0204696 0.0204696 0.5000000), wk = 0.0017575 k( 79) = ( -0.0272928 0.0272928 0.5000000), wk = 0.0017575 k( 80) = ( -0.0341160 0.0341160 0.5000000), wk = 0.0017575 k( 81) = ( -0.0409392 0.0409392 0.5000000), wk = 0.0017575 k( 82) = ( -0.0477624 0.0477624 0.5000000), wk = 0.0017575 k( 83) = ( -0.0545856 0.0545856 0.5000000), wk = 0.0017575 k( 84) = ( -0.0614088 0.0614088 0.5000000), wk = 0.0017575 k( 85) = ( -0.0682320 0.0682320 0.5000000), wk = 0.0017575 k( 86) = ( -0.0750552 0.0750552 0.5000000), wk = 0.0017575 k( 87) = ( -0.0818784 0.0818784 0.5000000), wk = 0.0017575 k( 88) = ( -0.0887016 0.0887016 0.5000000), wk = 0.0017575 k( 89) = ( -0.0955248 0.0955248 0.5000000), wk = 0.0017575 k( 90) = ( -0.1023480 0.1023480 0.5000000), wk = 0.0017575 k( 91) = ( -0.1091712 0.1091712 0.5000000), wk = 0.0017575 k( 92) = ( -0.1159944 0.1159944 0.5000000), wk = 0.0017575 k( 93) = ( -0.1228176 0.1228176 0.5000000), wk = 0.0017575 k( 94) = ( -0.1296408 0.1296408 0.5000000), wk = 0.0017575 k( 95) = ( -0.1364640 0.1364640 0.5000000), wk = 0.0017575 k( 96) = ( -0.1432872 0.1432872 0.5000000), wk = 0.0017575 k( 97) = ( -0.1501104 0.1501104 0.5000000), wk = 0.0017575 k( 98) = ( -0.1569336 0.1569336 0.5000000), wk = 0.0017575 k( 99) = ( -0.1637568 0.1637568 0.5000000), wk = 0.0017575 k( 100) = ( -0.1705800 0.1705800 0.5000000), wk = 0.0017575 k( 101) = ( -0.1774032 0.1774032 0.5000000), wk = 0.0017575 k( 102) = ( -0.1842264 0.1842264 0.5000000), wk = 0.0017575 k( 103) = ( -0.1910496 0.1910497 0.5000000), wk = 0.0017575 k( 104) = ( -0.1978728 0.1978729 0.5000000), wk = 0.0017575 k( 105) = ( -0.2046960 0.2046961 0.5000000), wk = 0.0017575 k( 106) = ( -0.2115192 0.2115192 0.5000000), wk = 0.0017575 k( 107) = ( -0.2183424 0.2183425 0.5000000), wk = 0.0017575 k( 108) = ( -0.2251656 0.2251657 0.5000000), wk = 0.0017575 k( 109) = ( -0.2319889 0.2319889 0.5000000), wk = 0.0017575 k( 110) = ( -0.2388121 0.2388121 0.5000000), wk = 0.0017575 k( 111) = ( -0.2456353 0.2456353 0.5000000), wk = 0.0017575 k( 112) = ( -0.2524585 0.2524585 0.5000000), wk = 0.0017575 k( 113) = ( -0.2592817 0.2592817 0.5000000), wk = 0.0017575 k( 114) = ( -0.2661049 0.2661049 0.5000000), wk = 0.0017575 k( 115) = ( -0.2729281 0.2729281 0.5000000), wk = 0.0017575 k( 116) = ( -0.2797513 0.2797513 0.5000000), wk = 0.0017575 k( 117) = ( -0.2865745 0.2865745 0.5000000), wk = 0.0017575 k( 118) = ( -0.2933977 0.2933977 0.5000000), wk = 0.0017575 k( 119) = ( -0.3002209 0.3002209 0.5000000), wk = 0.0017575 k( 120) = ( -0.3070441 0.3070441 0.5000000), wk = 0.0017575 k( 121) = ( -0.3070441 0.3070441 0.5000000), wk = 0.0017575 k( 122) = ( -0.3118680 0.3118680 0.4951761), wk = 0.0017575 k( 123) = ( -0.3166919 0.3166919 0.4903522), wk = 0.0017575 k( 124) = ( -0.3215158 0.3215158 0.4855283), wk = 0.0017575 k( 125) = ( -0.3263397 0.3263397 0.4807044), wk = 0.0017575 k( 126) = ( -0.3311636 0.3311636 0.4758805), wk = 0.0017575 k( 127) = ( -0.3359875 0.3359875 0.4710566), wk = 0.0017575 k( 128) = ( -0.3408114 0.3408114 0.4662327), wk = 0.0017575 k( 129) = ( -0.3456353 0.3456353 0.4614088), wk = 0.0017575 k( 130) = ( -0.3504592 0.3504592 0.4565849), wk = 0.0017575 k( 131) = ( -0.3552831 0.3552831 0.4517610), wk = 0.0017575 k( 132) = ( -0.3601069 0.3601069 0.4469371), wk = 0.0017575 k( 133) = ( -0.3649308 0.3649308 0.4421132), wk = 0.0017575 k( 134) = ( -0.3697548 0.3697548 0.4372893), wk = 0.0017575 k( 135) = ( -0.3745787 0.3745787 0.4324654), wk = 0.0017575 k( 136) = ( -0.3794026 0.3794026 0.4276415), wk = 0.0017575 k( 137) = ( -0.3842264 0.3842264 0.4228176), wk = 0.0017575 k( 138) = ( -0.3890503 0.3890503 0.4179937), wk = 0.0017575 k( 139) = ( -0.3938742 0.3938742 0.4131698), wk = 0.0017575 k( 140) = ( -0.3986981 0.3986981 0.4083459), wk = 0.0017575 k( 141) = ( -0.4035220 0.4035220 0.4035220), wk = 0.0017575 k( 142) = ( -0.4035220 0.4035220 0.4035220), wk = 0.0017575 k( 143) = ( -0.3987182 0.3987182 0.3987182), wk = 0.0017575 k( 144) = ( -0.3939144 0.3939144 0.3939144), wk = 0.0017575 k( 145) = ( -0.3891105 0.3891105 0.3891105), wk = 0.0017575 k( 146) = ( -0.3843067 0.3843067 0.3843067), wk = 0.0017575 k( 147) = ( -0.3795029 0.3795029 0.3795029), wk = 0.0017575 k( 148) = ( -0.3746990 0.3746990 0.3746990), wk = 0.0017575 k( 149) = ( -0.3698952 0.3698952 0.3698952), wk = 0.0017575 k( 150) = ( -0.3650914 0.3650914 0.3650914), wk = 0.0017575 k( 151) = ( -0.3602875 0.3602875 0.3602875), wk = 0.0017575 k( 152) = ( -0.3554837 0.3554837 0.3554837), wk = 0.0017575 k( 153) = ( -0.3506799 0.3506799 0.3506799), wk = 0.0017575 k( 154) = ( -0.3458760 0.3458760 0.3458760), wk = 0.0017575 k( 155) = ( -0.3410722 0.3410722 0.3410722), wk = 0.0017575 k( 156) = ( -0.3362684 0.3362684 0.3362684), wk = 0.0017575 k( 157) = ( -0.3314645 0.3314645 0.3314645), wk = 0.0017575 k( 158) = ( -0.3266607 0.3266607 0.3266607), wk = 0.0017575 k( 159) = ( -0.3218569 0.3218569 0.3218569), wk = 0.0017575 k( 160) = ( -0.3170530 0.3170530 0.3170530), wk = 0.0017575 k( 161) = ( -0.3122492 0.3122492 0.3122492), wk = 0.0017575 k( 162) = ( -0.3074454 0.3074454 0.3074454), wk = 0.0017575 k( 163) = ( -0.3026415 0.3026415 0.3026415), wk = 0.0017575 k( 164) = ( -0.2978377 0.2978377 0.2978377), wk = 0.0017575 k( 165) = ( -0.2930339 0.2930339 0.2930339), wk = 0.0017575 k( 166) = ( -0.2882300 0.2882300 0.2882300), wk = 0.0017575 k( 167) = ( -0.2834262 0.2834262 0.2834262), wk = 0.0017575 k( 168) = ( -0.2786224 0.2786224 0.2786224), wk = 0.0017575 k( 169) = ( -0.2738185 0.2738185 0.2738185), wk = 0.0017575 k( 170) = ( -0.2690147 0.2690147 0.2690147), wk = 0.0017575 k( 171) = ( -0.2642109 0.2642109 0.2642109), wk = 0.0017575 k( 172) = ( -0.2594070 0.2594070 0.2594070), wk = 0.0017575 k( 173) = ( -0.2546032 0.2546032 0.2546032), wk = 0.0017575 k( 174) = ( -0.2497994 0.2497994 0.2497994), wk = 0.0017575 k( 175) = ( -0.2449955 0.2449955 0.2449955), wk = 0.0017575 k( 176) = ( -0.2401917 0.2401917 0.2401917), wk = 0.0017575 k( 177) = ( -0.2353879 0.2353879 0.2353879), wk = 0.0017575 k( 178) = ( -0.2305840 0.2305840 0.2305840), wk = 0.0017575 k( 179) = ( -0.2257802 0.2257802 0.2257802), wk = 0.0017575 k( 180) = ( -0.2209763 0.2209763 0.2209763), wk = 0.0017575 k( 181) = ( -0.2161725 0.2161725 0.2161725), wk = 0.0017575 k( 182) = ( -0.2113687 0.2113687 0.2113687), wk = 0.0017575 k( 183) = ( -0.2065648 0.2065649 0.2065648), wk = 0.0017575 k( 184) = ( -0.2017610 0.2017610 0.2017610), wk = 0.0017575 k( 185) = ( -0.1969572 0.1969572 0.1969572), wk = 0.0017575 k( 186) = ( -0.1921534 0.1921534 0.1921533), wk = 0.0017575 k( 187) = ( -0.1873495 0.1873495 0.1873495), wk = 0.0017575 k( 188) = ( -0.1825457 0.1825457 0.1825457), wk = 0.0017575 k( 189) = ( -0.1777419 0.1777419 0.1777418), wk = 0.0017575 k( 190) = ( -0.1729380 0.1729380 0.1729380), wk = 0.0017575 k( 191) = ( -0.1681342 0.1681342 0.1681342), wk = 0.0017575 k( 192) = ( -0.1633304 0.1633304 0.1633304), wk = 0.0017575 k( 193) = ( -0.1585265 0.1585265 0.1585265), wk = 0.0017575 k( 194) = ( -0.1537227 0.1537227 0.1537227), wk = 0.0017575 k( 195) = ( -0.1489188 0.1489188 0.1489188), wk = 0.0017575 k( 196) = ( -0.1441150 0.1441150 0.1441150), wk = 0.0017575 k( 197) = ( -0.1393112 0.1393112 0.1393112), wk = 0.0017575 k( 198) = ( -0.1345073 0.1345074 0.1345073), wk = 0.0017575 k( 199) = ( -0.1297035 0.1297035 0.1297035), wk = 0.0017575 k( 200) = ( -0.1248997 0.1248997 0.1248997), wk = 0.0017575 k( 201) = ( -0.1200958 0.1200958 0.1200958), wk = 0.0017575 k( 202) = ( -0.1152920 0.1152920 0.1152920), wk = 0.0017575 k( 203) = ( -0.1104882 0.1104882 0.1104882), wk = 0.0017575 k( 204) = ( -0.1056843 0.1056843 0.1056843), wk = 0.0017575 k( 205) = ( -0.1008805 0.1008805 0.1008805), wk = 0.0017575 k( 206) = ( -0.0960767 0.0960767 0.0960767), wk = 0.0017575 k( 207) = ( -0.0912728 0.0912728 0.0912728), wk = 0.0017575 k( 208) = ( -0.0864690 0.0864690 0.0864690), wk = 0.0017575 k( 209) = ( -0.0816652 0.0816652 0.0816652), wk = 0.0017575 k( 210) = ( -0.0768613 0.0768613 0.0768613), wk = 0.0017575 k( 211) = ( -0.0720575 0.0720575 0.0720575), wk = 0.0017575 k( 212) = ( -0.0672537 0.0672537 0.0672537), wk = 0.0017575 k( 213) = ( -0.0624498 0.0624498 0.0624498), wk = 0.0017575 k( 214) = ( -0.0576460 0.0576460 0.0576460), wk = 0.0017575 k( 215) = ( -0.0528422 0.0528422 0.0528422), wk = 0.0017575 k( 216) = ( -0.0480383 0.0480383 0.0480383), wk = 0.0017575 k( 217) = ( -0.0432345 0.0432345 0.0432345), wk = 0.0017575 k( 218) = ( -0.0384307 0.0384307 0.0384307), wk = 0.0017575 k( 219) = ( -0.0336268 0.0336268 0.0336268), wk = 0.0017575 k( 220) = ( -0.0288230 0.0288230 0.0288230), wk = 0.0017575 k( 221) = ( -0.0240192 0.0240192 0.0240192), wk = 0.0017575 k( 222) = ( -0.0192153 0.0192153 0.0192153), wk = 0.0017575 k( 223) = ( -0.0144115 0.0144115 0.0144115), wk = 0.0017575 k( 224) = ( -0.0096077 0.0096077 0.0096077), wk = 0.0017575 k( 225) = ( -0.0048038 0.0048038 0.0048038), wk = 0.0017575 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017575 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017575 k( 228) = ( 0.0061728 0.0061728 -0.0061728), wk = 0.0017575 k( 229) = ( 0.0123457 0.0123457 -0.0123457), wk = 0.0017575 k( 230) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0017575 k( 231) = ( 0.0246914 0.0246914 -0.0246914), wk = 0.0017575 k( 232) = ( 0.0308642 0.0308642 -0.0308642), wk = 0.0017575 k( 233) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0017575 k( 234) = ( 0.0432099 0.0432099 -0.0432099), wk = 0.0017575 k( 235) = ( 0.0493827 0.0493827 -0.0493827), wk = 0.0017575 k( 236) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0017575 k( 237) = ( 0.0617284 0.0617284 -0.0617284), wk = 0.0017575 k( 238) = ( 0.0679012 0.0679012 -0.0679012), wk = 0.0017575 k( 239) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0017575 k( 240) = ( 0.0802469 0.0802469 -0.0802469), wk = 0.0017575 k( 241) = ( 0.0864198 0.0864198 -0.0864198), wk = 0.0017575 k( 242) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0017575 k( 243) = ( 0.0987654 0.0987654 -0.0987654), wk = 0.0017575 k( 244) = ( 0.1049383 0.1049383 -0.1049383), wk = 0.0017575 k( 245) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0017575 k( 246) = ( 0.1172839 0.1172839 -0.1172840), wk = 0.0017575 k( 247) = ( 0.1234568 0.1234568 -0.1234568), wk = 0.0017575 k( 248) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0017575 k( 249) = ( 0.1358025 0.1358025 -0.1358025), wk = 0.0017575 k( 250) = ( 0.1419753 0.1419753 -0.1419753), wk = 0.0017575 k( 251) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0017575 k( 252) = ( 0.1543210 0.1543210 -0.1543210), wk = 0.0017575 k( 253) = ( 0.1604938 0.1604938 -0.1604938), wk = 0.0017575 k( 254) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0017575 k( 255) = ( 0.1728395 0.1728395 -0.1728395), wk = 0.0017575 k( 256) = ( 0.1790123 0.1790123 -0.1790123), wk = 0.0017575 k( 257) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0017575 k( 258) = ( 0.1913580 0.1913580 -0.1913580), wk = 0.0017575 k( 259) = ( 0.1975309 0.1975309 -0.1975309), wk = 0.0017575 k( 260) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0017575 k( 261) = ( 0.2098765 0.2098765 -0.2098765), wk = 0.0017575 k( 262) = ( 0.2160494 0.2160494 -0.2160494), wk = 0.0017575 k( 263) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0017575 k( 264) = ( 0.2283951 0.2283951 -0.2283951), wk = 0.0017575 k( 265) = ( 0.2345679 0.2345679 -0.2345679), wk = 0.0017575 k( 266) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0017575 k( 267) = ( 0.2469136 0.2469136 -0.2469136), wk = 0.0017575 k( 268) = ( 0.2530864 0.2530864 -0.2530864), wk = 0.0017575 k( 269) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0017575 k( 270) = ( 0.2654321 0.2654321 -0.2654321), wk = 0.0017575 k( 271) = ( 0.2716049 0.2716049 -0.2716049), wk = 0.0017575 k( 272) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0017575 k( 273) = ( 0.2839506 0.2839506 -0.2839506), wk = 0.0017575 k( 274) = ( 0.2901235 0.2901235 -0.2901235), wk = 0.0017575 k( 275) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0017575 k( 276) = ( 0.3024691 0.3024691 -0.3024691), wk = 0.0017575 k( 277) = ( 0.3086420 0.3086420 -0.3086420), wk = 0.0017575 k( 278) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0017575 k( 279) = ( 0.3209877 0.3209877 -0.3209877), wk = 0.0017575 k( 280) = ( 0.3271605 0.3271605 -0.3271605), wk = 0.0017575 k( 281) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0017575 k( 282) = ( 0.3395062 0.3395062 -0.3395062), wk = 0.0017575 k( 283) = ( 0.3456790 0.3456790 -0.3456790), wk = 0.0017575 k( 284) = ( 0.3518519 0.3518519 -0.3518519), wk = 0.0017575 k( 285) = ( 0.3580247 0.3580247 -0.3580247), wk = 0.0017575 k( 286) = ( 0.3641975 0.3641975 -0.3641975), wk = 0.0017575 k( 287) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0017575 k( 288) = ( 0.3765432 0.3765432 -0.3765432), wk = 0.0017575 k( 289) = ( 0.3827160 0.3827160 -0.3827160), wk = 0.0017575 k( 290) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0017575 k( 291) = ( 0.3950617 0.3950617 -0.3950617), wk = 0.0017575 k( 292) = ( 0.4012346 0.4012346 -0.4012346), wk = 0.0017575 k( 293) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0017575 k( 294) = ( 0.4135802 0.4135803 -0.4135802), wk = 0.0017575 k( 295) = ( 0.4197531 0.4197531 -0.4197531), wk = 0.0017575 k( 296) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0017575 k( 297) = ( 0.4320988 0.4320988 -0.4320988), wk = 0.0017575 k( 298) = ( 0.4382716 0.4382716 -0.4382716), wk = 0.0017575 k( 299) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0017575 k( 300) = ( 0.4506173 0.4506173 -0.4506173), wk = 0.0017575 k( 301) = ( 0.4567901 0.4567901 -0.4567901), wk = 0.0017575 k( 302) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0017575 k( 303) = ( 0.4691358 0.4691358 -0.4691358), wk = 0.0017575 k( 304) = ( 0.4753086 0.4753086 -0.4753086), wk = 0.0017575 k( 305) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0017575 k( 306) = ( 0.4876543 0.4876543 -0.4876543), wk = 0.0017575 k( 307) = ( 0.4938272 0.4938272 -0.4938272), wk = 0.0017575 k( 308) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0017575 k( 309) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0017575 k( 310) = ( 0.4951761 0.5048239 -0.4951761), wk = 0.0017575 k( 311) = ( 0.4903522 0.5096478 -0.4903522), wk = 0.0017575 k( 312) = ( 0.4855283 0.5144717 -0.4855283), wk = 0.0017575 k( 313) = ( 0.4807044 0.5192956 -0.4807044), wk = 0.0017575 k( 314) = ( 0.4758805 0.5241195 -0.4758805), wk = 0.0017575 k( 315) = ( 0.4710566 0.5289434 -0.4710566), wk = 0.0017575 k( 316) = ( 0.4662327 0.5337673 -0.4662327), wk = 0.0017575 k( 317) = ( 0.4614088 0.5385912 -0.4614088), wk = 0.0017575 k( 318) = ( 0.4565849 0.5434151 -0.4565849), wk = 0.0017575 k( 319) = ( 0.4517610 0.5482390 -0.4517610), wk = 0.0017575 k( 320) = ( 0.4469371 0.5530629 -0.4469371), wk = 0.0017575 k( 321) = ( 0.4421132 0.5578868 -0.4421132), wk = 0.0017575 k( 322) = ( 0.4372893 0.5627107 -0.4372893), wk = 0.0017575 k( 323) = ( 0.4324654 0.5675346 -0.4324654), wk = 0.0017575 k( 324) = ( 0.4276415 0.5723585 -0.4276415), wk = 0.0017575 k( 325) = ( 0.4228176 0.5771824 -0.4228176), wk = 0.0017575 k( 326) = ( 0.4179937 0.5820063 -0.4179937), wk = 0.0017575 k( 327) = ( 0.4131698 0.5868302 -0.4131698), wk = 0.0017575 k( 328) = ( 0.4083459 0.5916541 -0.4083459), wk = 0.0017575 k( 329) = ( 0.4035220 0.5964780 -0.4035220), wk = 0.0017575 k( 330) = ( 0.4035220 0.5964780 -0.4035220), wk = 0.0017575 k( 331) = ( 0.3957620 0.5946226 -0.3957620), wk = 0.0017575 k( 332) = ( 0.3880020 0.5927673 -0.3880020), wk = 0.0017575 k( 333) = ( 0.3802419 0.5909119 -0.3802419), wk = 0.0017575 k( 334) = ( 0.3724819 0.5890566 -0.3724819), wk = 0.0017575 k( 335) = ( 0.3647218 0.5872012 -0.3647218), wk = 0.0017575 k( 336) = ( 0.3569618 0.5853459 -0.3569618), wk = 0.0017575 k( 337) = ( 0.3492018 0.5834905 -0.3492018), wk = 0.0017575 k( 338) = ( 0.3414417 0.5816352 -0.3414417), wk = 0.0017575 k( 339) = ( 0.3336817 0.5797799 -0.3336817), wk = 0.0017575 k( 340) = ( 0.3259217 0.5779245 -0.3259217), wk = 0.0017575 k( 341) = ( 0.3181616 0.5760692 -0.3181616), wk = 0.0017575 k( 342) = ( 0.3104016 0.5742138 -0.3104016), wk = 0.0017575 k( 343) = ( 0.3026415 0.5723585 -0.3026415), wk = 0.0017575 k( 344) = ( 0.2948815 0.5705031 -0.2948815), wk = 0.0017575 k( 345) = ( 0.2871215 0.5686478 -0.2871215), wk = 0.0017575 k( 346) = ( 0.2793614 0.5667924 -0.2793614), wk = 0.0017575 k( 347) = ( 0.2716014 0.5649371 -0.2716014), wk = 0.0017575 k( 348) = ( 0.2638413 0.5630817 -0.2638413), wk = 0.0017575 k( 349) = ( 0.2560813 0.5612264 -0.2560813), wk = 0.0017575 k( 350) = ( 0.2483212 0.5593711 -0.2483212), wk = 0.0017575 k( 351) = ( 0.2405612 0.5575157 -0.2405612), wk = 0.0017575 k( 352) = ( 0.2328012 0.5556604 -0.2328012), wk = 0.0017575 k( 353) = ( 0.2250411 0.5538050 -0.2250411), wk = 0.0017575 k( 354) = ( 0.2172811 0.5519497 -0.2172811), wk = 0.0017575 k( 355) = ( 0.2095211 0.5500943 -0.2095211), wk = 0.0017575 k( 356) = ( 0.2017610 0.5482390 -0.2017610), wk = 0.0017575 k( 357) = ( 0.1940010 0.5463836 -0.1940010), wk = 0.0017575 k( 358) = ( 0.1862409 0.5445283 -0.1862409), wk = 0.0017575 k( 359) = ( 0.1784809 0.5426729 -0.1784809), wk = 0.0017575 k( 360) = ( 0.1707209 0.5408176 -0.1707209), wk = 0.0017575 k( 361) = ( 0.1629608 0.5389622 -0.1629608), wk = 0.0017575 k( 362) = ( 0.1552008 0.5371069 -0.1552008), wk = 0.0017575 k( 363) = ( 0.1474407 0.5352516 -0.1474407), wk = 0.0017575 k( 364) = ( 0.1396807 0.5333962 -0.1396807), wk = 0.0017575 k( 365) = ( 0.1319207 0.5315409 -0.1319207), wk = 0.0017575 k( 366) = ( 0.1241606 0.5296855 -0.1241606), wk = 0.0017575 k( 367) = ( 0.1164006 0.5278302 -0.1164006), wk = 0.0017575 k( 368) = ( 0.1086406 0.5259748 -0.1086406), wk = 0.0017575 k( 369) = ( 0.1008805 0.5241195 -0.1008805), wk = 0.0017575 k( 370) = ( 0.0931205 0.5222642 -0.0931205), wk = 0.0017575 k( 371) = ( 0.0853604 0.5204088 -0.0853604), wk = 0.0017575 k( 372) = ( 0.0776004 0.5185535 -0.0776004), wk = 0.0017575 k( 373) = ( 0.0698403 0.5166981 -0.0698403), wk = 0.0017575 k( 374) = ( 0.0620803 0.5148428 -0.0620803), wk = 0.0017575 k( 375) = ( 0.0543203 0.5129874 -0.0543203), wk = 0.0017575 k( 376) = ( 0.0465602 0.5111321 -0.0465602), wk = 0.0017575 k( 377) = ( 0.0388002 0.5092767 -0.0388002), wk = 0.0017575 k( 378) = ( 0.0310402 0.5074214 -0.0310402), wk = 0.0017575 k( 379) = ( 0.0232801 0.5055660 -0.0232801), wk = 0.0017575 k( 380) = ( 0.0155201 0.5037107 -0.0155201), wk = 0.0017575 k( 381) = ( 0.0077600 0.5018554 -0.0077600), wk = 0.0017575 k( 382) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0017575 k( 383) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0017575 k( 384) = ( 0.0048077 0.4951923 0.0048077), wk = 0.0017575 k( 385) = ( 0.0096154 0.4903846 0.0096154), wk = 0.0017575 k( 386) = ( 0.0144231 0.4855769 0.0144231), wk = 0.0017575 k( 387) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0017575 k( 388) = ( 0.0240385 0.4759615 0.0240385), wk = 0.0017575 k( 389) = ( 0.0288462 0.4711539 0.0288461), wk = 0.0017575 k( 390) = ( 0.0336538 0.4663462 0.0336538), wk = 0.0017575 k( 391) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0017575 k( 392) = ( 0.0432692 0.4567308 0.0432692), wk = 0.0017575 k( 393) = ( 0.0480769 0.4519231 0.0480769), wk = 0.0017575 k( 394) = ( 0.0528846 0.4471154 0.0528846), wk = 0.0017575 k( 395) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0017575 k( 396) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0017575 k( 397) = ( 0.0673077 0.4326923 0.0673077), wk = 0.0017575 k( 398) = ( 0.0721154 0.4278846 0.0721154), wk = 0.0017575 k( 399) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0017575 k( 400) = ( 0.0817308 0.4182692 0.0817308), wk = 0.0017575 k( 401) = ( 0.0865385 0.4134615 0.0865385), wk = 0.0017575 k( 402) = ( 0.0913462 0.4086539 0.0913461), wk = 0.0017575 k( 403) = ( 0.0961538 0.4038462 0.0961538), wk = 0.0017575 k( 404) = ( 0.1009615 0.3990385 0.1009615), wk = 0.0017575 k( 405) = ( 0.1057692 0.3942308 0.1057692), wk = 0.0017575 k( 406) = ( 0.1105769 0.3894231 0.1105769), wk = 0.0017575 k( 407) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0017575 k( 408) = ( 0.1201923 0.3798077 0.1201923), wk = 0.0017575 k( 409) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0017575 k( 410) = ( 0.1298077 0.3701923 0.1298077), wk = 0.0017575 k( 411) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0017575 k( 412) = ( 0.1394231 0.3605769 0.1394231), wk = 0.0017575 k( 413) = ( 0.1442308 0.3557692 0.1442308), wk = 0.0017575 k( 414) = ( 0.1490385 0.3509615 0.1490385), wk = 0.0017575 k( 415) = ( 0.1538461 0.3461538 0.1538461), wk = 0.0017575 k( 416) = ( 0.1586539 0.3413462 0.1586538), wk = 0.0017575 k( 417) = ( 0.1634615 0.3365385 0.1634615), wk = 0.0017575 k( 418) = ( 0.1682692 0.3317308 0.1682692), wk = 0.0017575 k( 419) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0017575 k( 420) = ( 0.1778846 0.3221154 0.1778846), wk = 0.0017575 k( 421) = ( 0.1826923 0.3173077 0.1826923), wk = 0.0017575 k( 422) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0017575 k( 423) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0017575 k( 424) = ( 0.1971154 0.3028846 0.1971154), wk = 0.0017575 k( 425) = ( 0.2019231 0.2980769 0.2019231), wk = 0.0017575 k( 426) = ( 0.2067308 0.2932692 0.2067308), wk = 0.0017575 k( 427) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0017575 k( 428) = ( 0.2163461 0.2836539 0.2163461), wk = 0.0017575 k( 429) = ( 0.2211539 0.2788462 0.2211538), wk = 0.0017575 k( 430) = ( 0.2259615 0.2740385 0.2259615), wk = 0.0017575 k( 431) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0017575 k( 432) = ( 0.2355769 0.2644231 0.2355769), wk = 0.0017575 k( 433) = ( 0.2403846 0.2596154 0.2403846), wk = 0.0017575 k( 434) = ( 0.2451923 0.2548077 0.2451923), wk = 0.0017575 k( 435) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017575 k( 436) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017575 k( 437) = ( 0.2540984 0.2540984 0.2408681), wk = 0.0017575 k( 438) = ( 0.2581967 0.2581967 0.2317363), wk = 0.0017575 k( 439) = ( 0.2622951 0.2622951 0.2226044), wk = 0.0017575 k( 440) = ( 0.2663934 0.2663934 0.2134725), wk = 0.0017575 k( 441) = ( 0.2704918 0.2704918 0.2043406), wk = 0.0017575 k( 442) = ( 0.2745902 0.2745902 0.1952088), wk = 0.0017575 k( 443) = ( 0.2786885 0.2786885 0.1860769), wk = 0.0017575 k( 444) = ( 0.2827869 0.2827869 0.1769450), wk = 0.0017575 k( 445) = ( 0.2868852 0.2868853 0.1678132), wk = 0.0017575 k( 446) = ( 0.2909836 0.2909836 0.1586813), wk = 0.0017575 k( 447) = ( 0.2950820 0.2950820 0.1495494), wk = 0.0017575 k( 448) = ( 0.2991803 0.2991803 0.1404176), wk = 0.0017575 k( 449) = ( 0.3032787 0.3032787 0.1312857), wk = 0.0017575 k( 450) = ( 0.3073770 0.3073771 0.1221538), wk = 0.0017575 k( 451) = ( 0.3114754 0.3114754 0.1130219), wk = 0.0017575 k( 452) = ( 0.3155738 0.3155738 0.1038901), wk = 0.0017575 k( 453) = ( 0.3196721 0.3196721 0.0947582), wk = 0.0017575 k( 454) = ( 0.3237705 0.3237705 0.0856263), wk = 0.0017575 k( 455) = ( 0.3278688 0.3278689 0.0764945), wk = 0.0017575 k( 456) = ( 0.3319672 0.3319672 0.0673626), wk = 0.0017575 k( 457) = ( 0.3360656 0.3360656 0.0582307), wk = 0.0017575 k( 458) = ( 0.3401639 0.3401639 0.0490989), wk = 0.0017575 k( 459) = ( 0.3442623 0.3442623 0.0399670), wk = 0.0017575 k( 460) = ( 0.3483607 0.3483607 0.0308351), wk = 0.0017575 k( 461) = ( 0.3524590 0.3524590 0.0217032), wk = 0.0017575 k( 462) = ( 0.3565574 0.3565574 0.0125714), wk = 0.0017575 k( 463) = ( 0.3606557 0.3606557 0.0034395), wk = 0.0017575 k( 464) = ( 0.3647541 0.3647541 -0.0056924), wk = 0.0017575 k( 465) = ( 0.3688525 0.3688525 -0.0148242), wk = 0.0017575 k( 466) = ( 0.3729508 0.3729508 -0.0239561), wk = 0.0017575 k( 467) = ( 0.3770492 0.3770492 -0.0330880), wk = 0.0017575 k( 468) = ( 0.3811475 0.3811475 -0.0422198), wk = 0.0017575 k( 469) = ( 0.3852459 0.3852459 -0.0513517), wk = 0.0017575 k( 470) = ( 0.3893443 0.3893443 -0.0604836), wk = 0.0017575 k( 471) = ( 0.3934426 0.3934426 -0.0696154), wk = 0.0017575 k( 472) = ( 0.3975410 0.3975410 -0.0787473), wk = 0.0017575 k( 473) = ( 0.4016393 0.4016393 -0.0878792), wk = 0.0017575 k( 474) = ( 0.4057377 0.4057377 -0.0970111), wk = 0.0017575 k( 475) = ( 0.4098361 0.4098361 -0.1061429), wk = 0.0017575 k( 476) = ( 0.4139344 0.4139344 -0.1152748), wk = 0.0017575 k( 477) = ( 0.4180328 0.4180328 -0.1244067), wk = 0.0017575 k( 478) = ( 0.4221312 0.4221312 -0.1335385), wk = 0.0017575 k( 479) = ( 0.4262295 0.4262295 -0.1426704), wk = 0.0017575 k( 480) = ( 0.4303279 0.4303279 -0.1518023), wk = 0.0017575 k( 481) = ( 0.4344262 0.4344262 -0.1609341), wk = 0.0017575 k( 482) = ( 0.4385246 0.4385246 -0.1700660), wk = 0.0017575 k( 483) = ( 0.4426230 0.4426230 -0.1791979), wk = 0.0017575 k( 484) = ( 0.4467213 0.4467213 -0.1883298), wk = 0.0017575 k( 485) = ( 0.4508197 0.4508197 -0.1974616), wk = 0.0017575 k( 486) = ( 0.4549180 0.4549180 -0.2065935), wk = 0.0017575 k( 487) = ( 0.4590164 0.4590164 -0.2157254), wk = 0.0017575 k( 488) = ( 0.4631148 0.4631148 -0.2248572), wk = 0.0017575 k( 489) = ( 0.4672131 0.4672131 -0.2339891), wk = 0.0017575 k( 490) = ( 0.4713115 0.4713115 -0.2431210), wk = 0.0017575 k( 491) = ( 0.4754098 0.4754098 -0.2522528), wk = 0.0017575 k( 492) = ( 0.4795082 0.4795082 -0.2613847), wk = 0.0017575 k( 493) = ( 0.4836066 0.4836066 -0.2705166), wk = 0.0017575 k( 494) = ( 0.4877049 0.4877049 -0.2796485), wk = 0.0017575 k( 495) = ( 0.4918033 0.4918033 -0.2887803), wk = 0.0017575 k( 496) = ( 0.4959016 0.4959016 -0.2979122), wk = 0.0017575 k( 497) = ( 0.5000000 0.5000000 -0.3070441), wk = 0.0017575 k( 498) = ( 0.5000000 0.5000000 -0.3070441), wk = 0.0017575 k( 499) = ( 0.5000000 0.5000000 -0.3136977), wk = 0.0017575 k( 500) = ( 0.5000000 0.5000000 -0.3203514), wk = 0.0017575 k( 501) = ( 0.5000000 0.5000000 -0.3270050), wk = 0.0017575 k( 502) = ( 0.5000000 0.5000000 -0.3336587), wk = 0.0017575 k( 503) = ( 0.5000000 0.5000000 -0.3403123), wk = 0.0017575 k( 504) = ( 0.5000000 0.5000000 -0.3469660), wk = 0.0017575 k( 505) = ( 0.5000000 0.5000000 -0.3536196), wk = 0.0017575 k( 506) = ( 0.5000000 0.5000000 -0.3602733), wk = 0.0017575 k( 507) = ( 0.5000000 0.5000000 -0.3669269), wk = 0.0017575 k( 508) = ( 0.5000000 0.5000000 -0.3735806), wk = 0.0017575 k( 509) = ( 0.5000000 0.5000000 -0.3802342), wk = 0.0017575 k( 510) = ( 0.5000000 0.5000000 -0.3868879), wk = 0.0017575 k( 511) = ( 0.5000000 0.5000000 -0.3935416), wk = 0.0017575 k( 512) = ( 0.5000000 0.5000000 -0.4001952), wk = 0.0017575 k( 513) = ( 0.5000000 0.5000000 -0.4068489), wk = 0.0017575 k( 514) = ( 0.5000000 0.5000000 -0.4135025), wk = 0.0017575 k( 515) = ( 0.5000000 0.5000000 -0.4201562), wk = 0.0017575 k( 516) = ( 0.5000000 0.5000000 -0.4268098), wk = 0.0017575 k( 517) = ( 0.5000000 0.5000000 -0.4334635), wk = 0.0017575 k( 518) = ( 0.5000000 0.5000000 -0.4401171), wk = 0.0017575 k( 519) = ( 0.5000000 0.5000000 -0.4467708), wk = 0.0017575 k( 520) = ( 0.5000000 0.5000000 -0.4534244), wk = 0.0017575 k( 521) = ( 0.5000000 0.5000000 -0.4600781), wk = 0.0017575 k( 522) = ( 0.5000000 0.5000000 -0.4667317), wk = 0.0017575 k( 523) = ( 0.5000000 0.5000000 -0.4733854), wk = 0.0017575 k( 524) = ( 0.5000000 0.5000000 -0.4800390), wk = 0.0017575 k( 525) = ( 0.5000000 0.5000000 -0.4866927), wk = 0.0017575 k( 526) = ( 0.5000000 0.5000000 -0.4933463), wk = 0.0017575 k( 527) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0017575 k( 528) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017575 k( 529) = ( 0.0060976 0.0060976 0.4939024), wk = 0.0017575 k( 530) = ( 0.0121951 0.0121951 0.4878049), wk = 0.0017575 k( 531) = ( 0.0182927 0.0182927 0.4817073), wk = 0.0017575 k( 532) = ( 0.0243902 0.0243902 0.4756098), wk = 0.0017575 k( 533) = ( 0.0304878 0.0304878 0.4695122), wk = 0.0017575 k( 534) = ( 0.0365854 0.0365854 0.4634146), wk = 0.0017575 k( 535) = ( 0.0426829 0.0426829 0.4573171), wk = 0.0017575 k( 536) = ( 0.0487805 0.0487805 0.4512195), wk = 0.0017575 k( 537) = ( 0.0548780 0.0548780 0.4451219), wk = 0.0017575 k( 538) = ( 0.0609756 0.0609756 0.4390244), wk = 0.0017575 k( 539) = ( 0.0670732 0.0670732 0.4329268), wk = 0.0017575 k( 540) = ( 0.0731707 0.0731707 0.4268293), wk = 0.0017575 k( 541) = ( 0.0792683 0.0792683 0.4207317), wk = 0.0017575 k( 542) = ( 0.0853658 0.0853659 0.4146341), wk = 0.0017575 k( 543) = ( 0.0914634 0.0914634 0.4085366), wk = 0.0017575 k( 544) = ( 0.0975610 0.0975610 0.4024390), wk = 0.0017575 k( 545) = ( 0.1036585 0.1036585 0.3963415), wk = 0.0017575 k( 546) = ( 0.1097561 0.1097561 0.3902439), wk = 0.0017575 k( 547) = ( 0.1158537 0.1158537 0.3841463), wk = 0.0017575 k( 548) = ( 0.1219512 0.1219512 0.3780488), wk = 0.0017575 k( 549) = ( 0.1280488 0.1280488 0.3719512), wk = 0.0017575 k( 550) = ( 0.1341463 0.1341463 0.3658537), wk = 0.0017575 k( 551) = ( 0.1402439 0.1402439 0.3597561), wk = 0.0017575 k( 552) = ( 0.1463415 0.1463415 0.3536585), wk = 0.0017575 k( 553) = ( 0.1524390 0.1524390 0.3475610), wk = 0.0017575 k( 554) = ( 0.1585366 0.1585366 0.3414634), wk = 0.0017575 k( 555) = ( 0.1646342 0.1646342 0.3353658), wk = 0.0017575 k( 556) = ( 0.1707317 0.1707317 0.3292683), wk = 0.0017575 k( 557) = ( 0.1768293 0.1768293 0.3231707), wk = 0.0017575 k( 558) = ( 0.1829268 0.1829268 0.3170732), wk = 0.0017575 k( 559) = ( 0.1890244 0.1890244 0.3109756), wk = 0.0017575 k( 560) = ( 0.1951219 0.1951220 0.3048780), wk = 0.0017575 k( 561) = ( 0.2012195 0.2012195 0.2987805), wk = 0.0017575 k( 562) = ( 0.2073171 0.2073171 0.2926829), wk = 0.0017575 k( 563) = ( 0.2134146 0.2134146 0.2865854), wk = 0.0017575 k( 564) = ( 0.2195122 0.2195122 0.2804878), wk = 0.0017575 k( 565) = ( 0.2256098 0.2256098 0.2743902), wk = 0.0017575 k( 566) = ( 0.2317073 0.2317073 0.2682927), wk = 0.0017575 k( 567) = ( 0.2378049 0.2378049 0.2621951), wk = 0.0017575 k( 568) = ( 0.2439024 0.2439024 0.2560976), wk = 0.0017575 k( 569) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017575 Dense grid: 11777 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 86, 22) NL pseudopotentials 0.02 Mb ( 43, 38) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 328) G-vector shells 0.00 Mb ( 148) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 86, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.03 Mb ( 38, 2, 22) The potential is recalculated from file : ./TiH2.save/charge-density.dat Starting wfc are 4 randomized atomic wfcs + 18 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.7 secs Computing kpt #: 10 total cpu time spent up to now is 2.8 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 2.9 secs Computing kpt #: 13 total cpu time spent up to now is 3.0 secs Computing kpt #: 14 total cpu time spent up to now is 3.1 secs Computing kpt #: 15 total cpu time spent up to now is 3.2 secs Computing kpt #: 16 total cpu time spent up to now is 3.3 secs Computing kpt #: 17 total cpu time spent up to now is 3.3 secs Computing kpt #: 18 total cpu time spent up to now is 3.4 secs Computing kpt #: 19 total cpu time spent up to now is 3.5 secs Computing kpt #: 20 total cpu time spent up to now is 3.6 secs Computing kpt #: 21 total cpu time spent up to now is 3.6 secs Computing kpt #: 22 total cpu time spent up to now is 3.7 secs Computing kpt #: 23 total cpu time spent up to now is 3.8 secs Computing kpt #: 24 total cpu time spent up to now is 3.9 secs Computing kpt #: 25 total cpu time spent up to now is 3.9 secs Computing kpt #: 26 total cpu time spent up to now is 4.0 secs Computing kpt #: 27 total cpu time spent up to now is 4.1 secs Computing kpt #: 28 total cpu time spent up to now is 4.2 secs Computing kpt #: 29 total cpu time spent up to now is 4.3 secs Computing kpt #: 30 total cpu time spent up to now is 4.3 secs Computing kpt #: 31 total cpu time spent up to now is 4.4 secs Computing kpt #: 32 total cpu time spent up to now is 4.5 secs Computing kpt #: 33 total cpu time spent up to now is 4.6 secs Computing kpt #: 34 total cpu time spent up to now is 4.6 secs Computing kpt #: 35 total cpu time spent up to now is 4.7 secs Computing kpt #: 36 total cpu time spent up to now is 5.0 secs Computing kpt #: 37 total cpu time spent up to now is 5.1 secs Computing kpt #: 38 total cpu time spent up to now is 5.2 secs Computing kpt #: 39 total cpu time spent up to now is 5.3 secs Computing kpt #: 40 total cpu time spent up to now is 5.3 secs Computing kpt #: 41 total cpu time spent up to now is 5.4 secs Computing kpt #: 42 total cpu time spent up to now is 5.5 secs Computing kpt #: 43 total cpu time spent up to now is 5.6 secs Computing kpt #: 44 total cpu time spent up to now is 5.6 secs Computing kpt #: 45 total cpu time spent up to now is 5.7 secs Computing kpt #: 46 total cpu time spent up to now is 5.8 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 6.2 secs Computing kpt #: 52 total cpu time spent up to now is 6.3 secs Computing kpt #: 53 total cpu time spent up to now is 6.4 secs Computing kpt #: 54 total cpu time spent up to now is 6.4 secs Computing kpt #: 55 total cpu time spent up to now is 6.5 secs Computing kpt #: 56 total cpu time spent up to now is 6.6 secs Computing kpt #: 57 total cpu time spent up to now is 6.7 secs Computing kpt #: 58 total cpu time spent up to now is 6.8 secs Computing kpt #: 59 total cpu time spent up to now is 7.0 secs Computing kpt #: 60 total cpu time spent up to now is 7.1 secs Computing kpt #: 61 total cpu time spent up to now is 7.2 secs Computing kpt #: 62 total cpu time spent up to now is 7.3 secs Computing kpt #: 63 total cpu time spent up to now is 7.4 secs Computing kpt #: 64 total cpu time spent up to now is 7.5 secs Computing kpt #: 65 total cpu time spent up to now is 7.6 secs Computing kpt #: 66 total cpu time spent up to now is 7.7 secs Computing kpt #: 67 total cpu time spent up to now is 7.8 secs Computing kpt #: 68 total cpu time spent up to now is 7.9 secs Computing kpt #: 69 total cpu time spent up to now is 8.0 secs Computing kpt #: 70 total cpu time spent up to now is 8.1 secs Computing kpt #: 71 total cpu time spent up to now is 8.2 secs Computing kpt #: 72 total cpu time spent up to now is 8.3 secs Computing kpt #: 73 total cpu time spent up to now is 8.4 secs Computing kpt #: 74 total cpu time spent up to now is 8.6 secs Computing kpt #: 75 total cpu time spent up to now is 8.7 secs Computing kpt #: 76 total cpu time spent up to now is 8.8 secs Computing kpt #: 77 total cpu time spent up to now is 8.9 secs Computing kpt #: 78 total cpu time spent up to now is 9.0 secs Computing kpt #: 79 total cpu time spent up to now is 9.1 secs Computing kpt #: 80 total cpu time spent up to now is 9.2 secs Computing kpt #: 81 total cpu time spent up to now is 9.3 secs Computing kpt #: 82 total cpu time spent up to now is 9.4 secs Computing kpt #: 83 total cpu time spent up to now is 9.5 secs Computing kpt #: 84 total cpu time spent up to now is 9.7 secs Computing kpt #: 85 total cpu time spent up to now is 9.8 secs Computing kpt #: 86 total cpu time spent up to now is 9.9 secs Computing kpt #: 87 total cpu time spent up to now is 10.0 secs Computing kpt #: 88 total cpu time spent up to now is 10.1 secs Computing kpt #: 89 total cpu time spent up to now is 10.2 secs Computing kpt #: 90 total cpu time spent up to now is 10.3 secs Computing kpt #: 91 total cpu time spent up to now is 10.4 secs Computing kpt #: 92 total cpu time spent up to now is 10.5 secs Computing kpt #: 93 total cpu time spent up to now is 10.6 secs Computing kpt #: 94 total cpu time spent up to now is 10.7 secs Computing kpt #: 95 total cpu time spent up to now is 10.8 secs Computing kpt #: 96 total cpu time spent up to now is 10.8 secs Computing kpt #: 97 total cpu time spent up to now is 10.9 secs Computing kpt #: 98 total cpu time spent up to now is 11.0 secs Computing kpt #: 99 total cpu time spent up to now is 11.1 secs Computing kpt #: 100 total cpu time spent up to now is 11.2 secs Computing kpt #: 101 total cpu time spent up to now is 11.3 secs Computing kpt #: 102 total cpu time spent up to now is 11.4 secs Computing kpt #: 103 total cpu time spent up to now is 11.4 secs Computing kpt #: 104 total cpu time spent up to now is 11.5 secs Computing kpt #: 105 total cpu time spent up to now is 11.6 secs Computing kpt #: 106 total cpu time spent up to now is 11.7 secs Computing kpt #: 107 total cpu time spent up to now is 11.8 secs Computing kpt #: 108 total cpu time spent up to now is 11.9 secs Computing kpt #: 109 total cpu time spent up to now is 12.0 secs Computing kpt #: 110 total cpu time spent up to now is 12.0 secs Computing kpt #: 111 total cpu time spent up to now is 12.1 secs Computing kpt #: 112 total cpu time spent up to now is 12.2 secs Computing kpt #: 113 total cpu time spent up to now is 12.3 secs Computing kpt #: 114 total cpu time spent up to now is 12.4 secs Computing kpt #: 115 total cpu time spent up to now is 12.5 secs Computing kpt #: 116 total cpu time spent up to now is 12.5 secs Computing kpt #: 117 total cpu time spent up to now is 12.6 secs Computing kpt #: 118 total cpu time spent up to now is 12.7 secs Computing kpt #: 119 total cpu time spent up to now is 12.8 secs Computing kpt #: 120 total cpu time spent up to now is 12.9 secs Computing kpt #: 121 total cpu time spent up to now is 13.0 secs Computing kpt #: 122 total cpu time spent up to now is 13.0 secs Computing kpt #: 123 total cpu time spent up to now is 13.1 secs Computing kpt #: 124 total cpu time spent up to now is 13.2 secs Computing kpt #: 125 total cpu time spent up to now is 13.3 secs Computing kpt #: 126 total cpu time spent up to now is 13.4 secs Computing kpt #: 127 total cpu time spent up to now is 13.5 secs Computing kpt #: 128 total cpu time spent up to now is 13.5 secs Computing kpt #: 129 total cpu time spent up to now is 13.6 secs Computing kpt #: 130 total cpu time spent up to now is 13.7 secs Computing kpt #: 131 total cpu time spent up to now is 13.8 secs Computing kpt #: 132 total cpu time spent up to now is 13.9 secs Computing kpt #: 133 total cpu time spent up to now is 14.0 secs Computing kpt #: 134 total cpu time spent up to now is 14.1 secs Computing kpt #: 135 total cpu time spent up to now is 14.1 secs Computing kpt #: 136 total cpu time spent up to now is 14.2 secs Computing kpt #: 137 total cpu time spent up to now is 14.3 secs Computing kpt #: 138 total cpu time spent up to now is 14.4 secs Computing kpt #: 139 total cpu time spent up to now is 14.5 secs Computing kpt #: 140 total cpu time spent up to now is 14.6 secs Computing kpt #: 141 total cpu time spent up to now is 14.7 secs Computing kpt #: 142 total cpu time spent up to now is 14.7 secs Computing kpt #: 143 total cpu time spent up to now is 14.8 secs Computing kpt #: 144 total cpu time spent up to now is 14.9 secs Computing kpt #: 145 total cpu time spent up to now is 15.0 secs Computing kpt #: 146 total cpu time spent up to now is 15.1 secs Computing kpt #: 147 total cpu time spent up to now is 15.2 secs Computing kpt #: 148 total cpu time spent up to now is 15.3 secs Computing kpt #: 149 total cpu time spent up to now is 15.3 secs Computing kpt #: 150 total cpu time spent up to now is 15.4 secs Computing kpt #: 151 total cpu time spent up to now is 15.5 secs Computing kpt #: 152 total cpu time spent up to now is 15.6 secs Computing kpt #: 153 total cpu time spent up to now is 15.7 secs Computing kpt #: 154 total cpu time spent up to now is 15.8 secs Computing kpt #: 155 total cpu time spent up to now is 15.9 secs Computing kpt #: 156 total cpu time spent up to now is 15.9 secs Computing kpt #: 157 total cpu time spent up to now is 16.0 secs Computing kpt #: 158 total cpu time spent up to now is 16.1 secs Computing kpt #: 159 total cpu time spent up to now is 16.2 secs Computing kpt #: 160 total cpu time spent up to now is 16.5 secs Computing kpt #: 161 total cpu time spent up to now is 16.6 secs Computing kpt #: 162 total cpu time spent up to now is 16.7 secs Computing kpt #: 163 total cpu time spent up to now is 16.8 secs Computing kpt #: 164 total cpu time spent up to now is 16.9 secs Computing kpt #: 165 total cpu time spent up to now is 17.0 secs Computing kpt #: 166 total cpu time spent up to now is 17.0 secs Computing kpt #: 167 total cpu time spent up to now is 17.1 secs Computing kpt #: 168 total cpu time spent up to now is 17.2 secs Computing kpt #: 169 total cpu time spent up to now is 17.3 secs Computing kpt #: 170 total cpu time spent up to now is 17.4 secs Computing kpt #: 171 total cpu time spent up to now is 17.5 secs Computing kpt #: 172 total cpu time spent up to now is 17.6 secs Computing kpt #: 173 total cpu time spent up to now is 17.6 secs Computing kpt #: 174 total cpu time spent up to now is 17.7 secs Computing kpt #: 175 total cpu time spent up to now is 17.8 secs Computing kpt #: 176 total cpu time spent up to now is 17.9 secs Computing kpt #: 177 total cpu time spent up to now is 18.0 secs Computing kpt #: 178 total cpu time spent up to now is 18.1 secs Computing kpt #: 179 total cpu time spent up to now is 18.1 secs Computing kpt #: 180 total cpu time spent up to now is 18.2 secs Computing kpt #: 181 total cpu time spent up to now is 18.3 secs Computing kpt #: 182 total cpu time spent up to now is 18.4 secs Computing kpt #: 183 total cpu time spent up to now is 18.5 secs Computing kpt #: 184 total cpu time spent up to now is 18.5 secs Computing kpt #: 185 total cpu time spent up to now is 18.6 secs Computing kpt #: 186 total cpu time spent up to now is 18.7 secs Computing kpt #: 187 total cpu time spent up to now is 18.8 secs Computing kpt #: 188 total cpu time spent up to now is 18.8 secs Computing kpt #: 189 total cpu time spent up to now is 18.9 secs Computing kpt #: 190 total cpu time spent up to now is 19.0 secs Computing kpt #: 191 total cpu time spent up to now is 19.1 secs Computing kpt #: 192 total cpu time spent up to now is 19.2 secs Computing kpt #: 193 total cpu time spent up to now is 19.2 secs Computing kpt #: 194 total cpu time spent up to now is 19.3 secs Computing kpt #: 195 total cpu time spent up to now is 19.4 secs Computing kpt #: 196 total cpu time spent up to now is 19.5 secs Computing kpt #: 197 total cpu time spent up to now is 19.5 secs Computing kpt #: 198 total cpu time spent up to now is 19.6 secs Computing kpt #: 199 total cpu time spent up to now is 19.7 secs Computing kpt #: 200 total cpu time spent up to now is 19.8 secs Computing kpt #: 201 total cpu time spent up to now is 19.8 secs Computing kpt #: 202 total cpu time spent up to now is 19.9 secs Computing kpt #: 203 total cpu time spent up to now is 20.0 secs Computing kpt #: 204 total cpu time spent up to now is 20.1 secs Computing kpt #: 205 total cpu time spent up to now is 20.1 secs Computing kpt #: 206 total cpu time spent up to now is 20.2 secs Computing kpt #: 207 total cpu time spent up to now is 20.3 secs Computing kpt #: 208 total cpu time spent up to now is 20.4 secs Computing kpt #: 209 total cpu time spent up to now is 20.4 secs Computing kpt #: 210 total cpu time spent up to now is 20.5 secs Computing kpt #: 211 total cpu time spent up to now is 20.6 secs Computing kpt #: 212 total cpu time spent up to now is 20.7 secs Computing kpt #: 213 total cpu time spent up to now is 20.7 secs Computing kpt #: 214 total cpu time spent up to now is 20.8 secs Computing kpt #: 215 total cpu time spent up to now is 20.9 secs Computing kpt #: 216 total cpu time spent up to now is 21.0 secs Computing kpt #: 217 total cpu time spent up to now is 21.0 secs Computing kpt #: 218 total cpu time spent up to now is 21.1 secs Computing kpt #: 219 total cpu time spent up to now is 21.2 secs Computing kpt #: 220 total cpu time spent up to now is 21.3 secs Computing kpt #: 221 total cpu time spent up to now is 21.4 secs Computing kpt #: 222 total cpu time spent up to now is 21.4 secs Computing kpt #: 223 total cpu time spent up to now is 21.5 secs Computing kpt #: 224 total cpu time spent up to now is 21.6 secs Computing kpt #: 225 total cpu time spent up to now is 21.7 secs Computing kpt #: 226 total cpu time spent up to now is 21.7 secs Computing kpt #: 227 total cpu time spent up to now is 21.8 secs Computing kpt #: 228 total cpu time spent up to now is 21.9 secs Computing kpt #: 229 total cpu time spent up to now is 22.0 secs Computing kpt #: 230 total cpu time spent up to now is 22.0 secs Computing kpt #: 231 total cpu time spent up to now is 22.1 secs Computing kpt #: 232 total cpu time spent up to now is 22.2 secs Computing kpt #: 233 total cpu time spent up to now is 22.3 secs Computing kpt #: 234 total cpu time spent up to now is 22.4 secs Computing kpt #: 235 total cpu time spent up to now is 22.4 secs Computing kpt #: 236 total cpu time spent up to now is 22.5 secs Computing kpt #: 237 total cpu time spent up to now is 22.6 secs Computing kpt #: 238 total cpu time spent up to now is 22.7 secs Computing kpt #: 239 total cpu time spent up to now is 22.7 secs Computing kpt #: 240 total cpu time spent up to now is 22.8 secs Computing kpt #: 241 total cpu time spent up to now is 22.9 secs Computing kpt #: 242 total cpu time spent up to now is 23.0 secs Computing kpt #: 243 total cpu time spent up to now is 23.0 secs Computing kpt #: 244 total cpu time spent up to now is 23.1 secs Computing kpt #: 245 total cpu time spent up to now is 23.2 secs Computing kpt #: 246 total cpu time spent up to now is 23.3 secs Computing kpt #: 247 total cpu time spent up to now is 23.4 secs Computing kpt #: 248 total cpu time spent up to now is 23.4 secs Computing kpt #: 249 total cpu time spent up to now is 23.5 secs Computing kpt #: 250 total cpu time spent up to now is 23.6 secs Computing kpt #: 251 total cpu time spent up to now is 23.7 secs Computing kpt #: 252 total cpu time spent up to now is 23.7 secs Computing kpt #: 253 total cpu time spent up to now is 23.8 secs Computing kpt #: 254 total cpu time spent up to now is 23.9 secs Computing kpt #: 255 total cpu time spent up to now is 24.0 secs Computing kpt #: 256 total cpu time spent up to now is 24.1 secs Computing kpt #: 257 total cpu time spent up to now is 24.1 secs Computing kpt #: 258 total cpu time spent up to now is 24.2 secs Computing kpt #: 259 total cpu time spent up to now is 24.3 secs Computing kpt #: 260 total cpu time spent up to now is 24.4 secs Computing kpt #: 261 total cpu time spent up to now is 24.4 secs Computing kpt #: 262 total cpu time spent up to now is 24.5 secs Computing kpt #: 263 total cpu time spent up to now is 24.6 secs Computing kpt #: 264 total cpu time spent up to now is 24.7 secs Computing kpt #: 265 total cpu time spent up to now is 24.7 secs Computing kpt #: 266 total cpu time spent up to now is 24.8 secs Computing kpt #: 267 total cpu time spent up to now is 24.9 secs Computing kpt #: 268 total cpu time spent up to now is 25.0 secs Computing kpt #: 269 total cpu time spent up to now is 25.0 secs Computing kpt #: 270 total cpu time spent up to now is 25.1 secs Computing kpt #: 271 total cpu time spent up to now is 25.2 secs Computing kpt #: 272 total cpu time spent up to now is 25.3 secs Computing kpt #: 273 total cpu time spent up to now is 25.4 secs Computing kpt #: 274 total cpu time spent up to now is 25.4 secs Computing kpt #: 275 total cpu time spent up to now is 25.5 secs Computing kpt #: 276 total cpu time spent up to now is 25.6 secs Computing kpt #: 277 total cpu time spent up to now is 25.7 secs Computing kpt #: 278 total cpu time spent up to now is 25.7 secs Computing kpt #: 279 total cpu time spent up to now is 25.8 secs Computing kpt #: 280 total cpu time spent up to now is 25.9 secs Computing kpt #: 281 total cpu time spent up to now is 26.0 secs Computing kpt #: 282 total cpu time spent up to now is 26.1 secs Computing kpt #: 283 total cpu time spent up to now is 26.1 secs Computing kpt #: 284 total cpu time spent up to now is 26.2 secs Computing kpt #: 285 total cpu time spent up to now is 26.3 secs Computing kpt #: 286 total cpu time spent up to now is 26.4 secs Computing kpt #: 287 total cpu time spent up to now is 26.5 secs Computing kpt #: 288 total cpu time spent up to now is 26.6 secs Computing kpt #: 289 total cpu time spent up to now is 26.6 secs Computing kpt #: 290 total cpu time spent up to now is 26.8 secs Computing kpt #: 291 total cpu time spent up to now is 26.9 secs Computing kpt #: 292 total cpu time spent up to now is 27.0 secs Computing kpt #: 293 total cpu time spent up to now is 27.2 secs Computing kpt #: 294 total cpu time spent up to now is 27.3 secs Computing kpt #: 295 total cpu time spent up to now is 27.4 secs Computing kpt #: 296 total cpu time spent up to now is 27.5 secs Computing kpt #: 297 total cpu time spent up to now is 27.6 secs Computing kpt #: 298 total cpu time spent up to now is 27.7 secs Computing kpt #: 299 total cpu time spent up to now is 27.8 secs Computing kpt #: 300 total cpu time spent up to now is 27.9 secs Computing kpt #: 301 total cpu time spent up to now is 28.0 secs Computing kpt #: 302 total cpu time spent up to now is 28.1 secs Computing kpt #: 303 total cpu time spent up to now is 28.2 secs Computing kpt #: 304 total cpu time spent up to now is 28.3 secs Computing kpt #: 305 total cpu time spent up to now is 28.4 secs Computing kpt #: 306 total cpu time spent up to now is 28.5 secs Computing kpt #: 307 total cpu time spent up to now is 28.6 secs Computing kpt #: 308 total cpu time spent up to now is 28.7 secs Computing kpt #: 309 total cpu time spent up to now is 28.8 secs Computing kpt #: 310 total cpu time spent up to now is 28.9 secs Computing kpt #: 311 total cpu time spent up to now is 29.0 secs Computing kpt #: 312 total cpu time spent up to now is 29.1 secs Computing kpt #: 313 total cpu time spent up to now is 29.2 secs Computing kpt #: 314 total cpu time spent up to now is 29.3 secs Computing kpt #: 315 total cpu time spent up to now is 29.4 secs Computing kpt #: 316 total cpu time spent up to now is 29.5 secs Computing kpt #: 317 total cpu time spent up to now is 29.6 secs Computing kpt #: 318 total cpu time spent up to now is 29.7 secs Computing kpt #: 319 total cpu time spent up to now is 29.8 secs Computing kpt #: 320 total cpu time spent up to now is 29.8 secs Computing kpt #: 321 total cpu time spent up to now is 29.9 secs Computing kpt #: 322 total cpu time spent up to now is 30.0 secs Computing kpt #: 323 total cpu time spent up to now is 30.1 secs Computing kpt #: 324 total cpu time spent up to now is 30.2 secs Computing kpt #: 325 total cpu time spent up to now is 30.3 secs Computing kpt #: 326 total cpu time spent up to now is 30.4 secs Computing kpt #: 327 total cpu time spent up to now is 30.5 secs Computing kpt #: 328 total cpu time spent up to now is 30.6 secs Computing kpt #: 329 total cpu time spent up to now is 30.6 secs Computing kpt #: 330 total cpu time spent up to now is 30.7 secs Computing kpt #: 331 total cpu time spent up to now is 30.8 secs Computing kpt #: 332 total cpu time spent up to now is 30.9 secs Computing kpt #: 333 total cpu time spent up to now is 31.0 secs Computing kpt #: 334 total cpu time spent up to now is 31.1 secs Computing kpt #: 335 total cpu time spent up to now is 31.2 secs Computing kpt #: 336 total cpu time spent up to now is 31.2 secs Computing kpt #: 337 total cpu time spent up to now is 31.3 secs Computing kpt #: 338 total cpu time spent up to now is 31.4 secs Computing kpt #: 339 total cpu time spent up to now is 31.5 secs Computing kpt #: 340 total cpu time spent up to now is 31.6 secs Computing kpt #: 341 total cpu time spent up to now is 31.7 secs Computing kpt #: 342 total cpu time spent up to now is 31.8 secs Computing kpt #: 343 total cpu time spent up to now is 31.8 secs Computing kpt #: 344 total cpu time spent up to now is 31.9 secs Computing kpt #: 345 total cpu time spent up to now is 32.0 secs Computing kpt #: 346 total cpu time spent up to now is 32.1 secs Computing kpt #: 347 total cpu time spent up to now is 32.2 secs Computing kpt #: 348 total cpu time spent up to now is 32.3 secs Computing kpt #: 349 total cpu time spent up to now is 32.3 secs Computing kpt #: 350 total cpu time spent up to now is 32.4 secs Computing kpt #: 351 total cpu time spent up to now is 32.5 secs Computing kpt #: 352 total cpu time spent up to now is 32.6 secs Computing kpt #: 353 total cpu time spent up to now is 32.7 secs Computing kpt #: 354 total cpu time spent up to now is 32.8 secs Computing kpt #: 355 total cpu time spent up to now is 32.9 secs Computing kpt #: 356 total cpu time spent up to now is 32.9 secs Computing kpt #: 357 total cpu time spent up to now is 33.0 secs Computing kpt #: 358 total cpu time spent up to now is 33.1 secs Computing kpt #: 359 total cpu time spent up to now is 33.2 secs Computing kpt #: 360 total cpu time spent up to now is 33.3 secs Computing kpt #: 361 total cpu time spent up to now is 33.4 secs Computing kpt #: 362 total cpu time spent up to now is 33.4 secs Computing kpt #: 363 total cpu time spent up to now is 33.5 secs Computing kpt #: 364 total cpu time spent up to now is 33.6 secs Computing kpt #: 365 total cpu time spent up to now is 33.7 secs Computing kpt #: 366 total cpu time spent up to now is 33.8 secs Computing kpt #: 367 total cpu time spent up to now is 33.9 secs Computing kpt #: 368 total cpu time spent up to now is 34.0 secs Computing kpt #: 369 total cpu time spent up to now is 34.0 secs Computing kpt #: 370 total cpu time spent up to now is 34.1 secs Computing kpt #: 371 total cpu time spent up to now is 34.2 secs Computing kpt #: 372 total cpu time spent up to now is 34.3 secs Computing kpt #: 373 total cpu time spent up to now is 34.4 secs Computing kpt #: 374 total cpu time spent up to now is 34.4 secs Computing kpt #: 375 total cpu time spent up to now is 34.5 secs Computing kpt #: 376 total cpu time spent up to now is 34.6 secs Computing kpt #: 377 total cpu time spent up to now is 34.7 secs Computing kpt #: 378 total cpu time spent up to now is 34.8 secs Computing kpt #: 379 total cpu time spent up to now is 34.9 secs Computing kpt #: 380 total cpu time spent up to now is 35.0 secs Computing kpt #: 381 total cpu time spent up to now is 35.0 secs Computing kpt #: 382 total cpu time spent up to now is 35.1 secs Computing kpt #: 383 total cpu time spent up to now is 35.2 secs Computing kpt #: 384 total cpu time spent up to now is 35.3 secs Computing kpt #: 385 total cpu time spent up to now is 35.4 secs Computing kpt #: 386 total cpu time spent up to now is 35.5 secs Computing kpt #: 387 total cpu time spent up to now is 35.5 secs Computing kpt #: 388 total cpu time spent up to now is 35.6 secs Computing kpt #: 389 total cpu time spent up to now is 35.7 secs Computing kpt #: 390 total cpu time spent up to now is 35.8 secs Computing kpt #: 391 total cpu time spent up to now is 35.9 secs Computing kpt #: 392 total cpu time spent up to now is 36.0 secs Computing kpt #: 393 total cpu time spent up to now is 36.0 secs Computing kpt #: 394 total cpu time spent up to now is 36.1 secs Computing kpt #: 395 total cpu time spent up to now is 36.2 secs Computing kpt #: 396 total cpu time spent up to now is 36.3 secs Computing kpt #: 397 total cpu time spent up to now is 36.4 secs Computing kpt #: 398 total cpu time spent up to now is 36.5 secs Computing kpt #: 399 total cpu time spent up to now is 36.6 secs Computing kpt #: 400 total cpu time spent up to now is 36.6 secs Computing kpt #: 401 total cpu time spent up to now is 36.7 secs Computing kpt #: 402 total cpu time spent up to now is 36.8 secs Computing kpt #: 403 total cpu time spent up to now is 36.9 secs Computing kpt #: 404 total cpu time spent up to now is 37.0 secs Computing kpt #: 405 total cpu time spent up to now is 37.1 secs Computing kpt #: 406 total cpu time spent up to now is 37.1 secs Computing kpt #: 407 total cpu time spent up to now is 37.2 secs Computing kpt #: 408 total cpu time spent up to now is 37.3 secs Computing kpt #: 409 total cpu time spent up to now is 37.4 secs Computing kpt #: 410 total cpu time spent up to now is 37.5 secs Computing kpt #: 411 total cpu time spent up to now is 37.6 secs Computing kpt #: 412 total cpu time spent up to now is 37.7 secs Computing kpt #: 413 total cpu time spent up to now is 37.7 secs Computing kpt #: 414 total cpu time spent up to now is 37.8 secs Computing kpt #: 415 total cpu time spent up to now is 37.9 secs Computing kpt #: 416 total cpu time spent up to now is 38.0 secs Computing kpt #: 417 total cpu time spent up to now is 38.1 secs Computing kpt #: 418 total cpu time spent up to now is 38.2 secs Computing kpt #: 419 total cpu time spent up to now is 38.3 secs Computing kpt #: 420 total cpu time spent up to now is 38.3 secs Computing kpt #: 421 total cpu time spent up to now is 38.4 secs Computing kpt #: 422 total cpu time spent up to now is 38.5 secs Computing kpt #: 423 total cpu time spent up to now is 38.6 secs Computing kpt #: 424 total cpu time spent up to now is 38.7 secs Computing kpt #: 425 total cpu time spent up to now is 38.8 secs Computing kpt #: 426 total cpu time spent up to now is 38.9 secs Computing kpt #: 427 total cpu time spent up to now is 38.9 secs Computing kpt #: 428 total cpu time spent up to now is 39.0 secs Computing kpt #: 429 total cpu time spent up to now is 39.1 secs Computing kpt #: 430 total cpu time spent up to now is 39.2 secs Computing kpt #: 431 total cpu time spent up to now is 39.3 secs Computing kpt #: 432 total cpu time spent up to now is 39.4 secs Computing kpt #: 433 total cpu time spent up to now is 39.4 secs Computing kpt #: 434 total cpu time spent up to now is 39.5 secs Computing kpt #: 435 total cpu time spent up to now is 39.6 secs Computing kpt #: 436 total cpu time spent up to now is 39.7 secs Computing kpt #: 437 total cpu time spent up to now is 39.8 secs Computing kpt #: 438 total cpu time spent up to now is 40.2 secs Computing kpt #: 439 total cpu time spent up to now is 40.3 secs Computing kpt #: 440 total cpu time spent up to now is 40.4 secs Computing kpt #: 441 total cpu time spent up to now is 40.5 secs Computing kpt #: 442 total cpu time spent up to now is 40.6 secs Computing kpt #: 443 total cpu time spent up to now is 40.6 secs Computing kpt #: 444 total cpu time spent up to now is 40.7 secs Computing kpt #: 445 total cpu time spent up to now is 40.8 secs Computing kpt #: 446 total cpu time spent up to now is 40.9 secs Computing kpt #: 447 total cpu time spent up to now is 41.0 secs Computing kpt #: 448 total cpu time spent up to now is 41.1 secs Computing kpt #: 449 total cpu time spent up to now is 41.1 secs Computing kpt #: 450 total cpu time spent up to now is 41.2 secs Computing kpt #: 451 total cpu time spent up to now is 41.3 secs Computing kpt #: 452 total cpu time spent up to now is 41.4 secs Computing kpt #: 453 total cpu time spent up to now is 41.5 secs Computing kpt #: 454 total cpu time spent up to now is 41.6 secs Computing kpt #: 455 total cpu time spent up to now is 41.7 secs Computing kpt #: 456 total cpu time spent up to now is 41.7 secs Computing kpt #: 457 total cpu time spent up to now is 41.8 secs Computing kpt #: 458 total cpu time spent up to now is 41.9 secs Computing kpt #: 459 total cpu time spent up to now is 42.0 secs Computing kpt #: 460 total cpu time spent up to now is 42.1 secs Computing kpt #: 461 total cpu time spent up to now is 42.2 secs Computing kpt #: 462 total cpu time spent up to now is 42.3 secs Computing kpt #: 463 total cpu time spent up to now is 42.3 secs Computing kpt #: 464 total cpu time spent up to now is 42.4 secs Computing kpt #: 465 total cpu time spent up to now is 42.5 secs Computing kpt #: 466 total cpu time spent up to now is 42.6 secs Computing kpt #: 467 total cpu time spent up to now is 42.7 secs Computing kpt #: 468 total cpu time spent up to now is 42.8 secs Computing kpt #: 469 total cpu time spent up to now is 42.9 secs Computing kpt #: 470 total cpu time spent up to now is 43.0 secs Computing kpt #: 471 total cpu time spent up to now is 43.0 secs Computing kpt #: 472 total cpu time spent up to now is 43.1 secs Computing kpt #: 473 total cpu time spent up to now is 43.2 secs Computing kpt #: 474 total cpu time spent up to now is 43.3 secs Computing kpt #: 475 total cpu time spent up to now is 43.4 secs Computing kpt #: 476 total cpu time spent up to now is 43.5 secs Computing kpt #: 477 total cpu time spent up to now is 43.5 secs Computing kpt #: 478 total cpu time spent up to now is 43.6 secs Computing kpt #: 479 total cpu time spent up to now is 43.7 secs Computing kpt #: 480 total cpu time spent up to now is 43.8 secs Computing kpt #: 481 total cpu time spent up to now is 43.9 secs Computing kpt #: 482 total cpu time spent up to now is 44.0 secs Computing kpt #: 483 total cpu time spent up to now is 44.1 secs Computing kpt #: 484 total cpu time spent up to now is 44.1 secs Computing kpt #: 485 total cpu time spent up to now is 44.2 secs Computing kpt #: 486 total cpu time spent up to now is 44.3 secs Computing kpt #: 487 total cpu time spent up to now is 44.4 secs Computing kpt #: 488 total cpu time spent up to now is 44.5 secs Computing kpt #: 489 total cpu time spent up to now is 44.6 secs Computing kpt #: 490 total cpu time spent up to now is 44.7 secs Computing kpt #: 491 total cpu time spent up to now is 44.8 secs Computing kpt #: 492 total cpu time spent up to now is 44.8 secs Computing kpt #: 493 total cpu time spent up to now is 44.9 secs Computing kpt #: 494 total cpu time spent up to now is 45.0 secs Computing kpt #: 495 total cpu time spent up to now is 45.1 secs Computing kpt #: 496 total cpu time spent up to now is 45.2 secs Computing kpt #: 497 total cpu time spent up to now is 45.3 secs Computing kpt #: 498 total cpu time spent up to now is 45.3 secs Computing kpt #: 499 total cpu time spent up to now is 45.4 secs Computing kpt #: 500 total cpu time spent up to now is 45.5 secs Computing kpt #: 501 total cpu time spent up to now is 45.6 secs Computing kpt #: 502 total cpu time spent up to now is 45.7 secs Computing kpt #: 503 total cpu time spent up to now is 45.8 secs Computing kpt #: 504 total cpu time spent up to now is 45.9 secs Computing kpt #: 505 total cpu time spent up to now is 45.9 secs Computing kpt #: 506 total cpu time spent up to now is 46.0 secs Computing kpt #: 507 total cpu time spent up to now is 46.1 secs Computing kpt #: 508 total cpu time spent up to now is 46.2 secs Computing kpt #: 509 total cpu time spent up to now is 46.3 secs Computing kpt #: 510 total cpu time spent up to now is 46.4 secs Computing kpt #: 511 total cpu time spent up to now is 46.5 secs Computing kpt #: 512 total cpu time spent up to now is 46.5 secs Computing kpt #: 513 total cpu time spent up to now is 46.6 secs Computing kpt #: 514 total cpu time spent up to now is 46.7 secs Computing kpt #: 515 total cpu time spent up to now is 46.8 secs Computing kpt #: 516 total cpu time spent up to now is 46.9 secs Computing kpt #: 517 total cpu time spent up to now is 47.0 secs Computing kpt #: 518 total cpu time spent up to now is 47.1 secs Computing kpt #: 519 total cpu time spent up to now is 47.2 secs Computing kpt #: 520 total cpu time spent up to now is 47.3 secs Computing kpt #: 521 total cpu time spent up to now is 47.4 secs Computing kpt #: 522 total cpu time spent up to now is 47.5 secs Computing kpt #: 523 total cpu time spent up to now is 47.6 secs Computing kpt #: 524 total cpu time spent up to now is 47.7 secs Computing kpt #: 525 total cpu time spent up to now is 47.8 secs Computing kpt #: 526 total cpu time spent up to now is 47.9 secs Computing kpt #: 527 total cpu time spent up to now is 48.0 secs Computing kpt #: 528 total cpu time spent up to now is 48.1 secs Computing kpt #: 529 total cpu time spent up to now is 48.2 secs Computing kpt #: 530 total cpu time spent up to now is 48.3 secs Computing kpt #: 531 total cpu time spent up to now is 48.4 secs Computing kpt #: 532 total cpu time spent up to now is 48.5 secs Computing kpt #: 533 total cpu time spent up to now is 48.6 secs Computing kpt #: 534 total cpu time spent up to now is 48.7 secs Computing kpt #: 535 total cpu time spent up to now is 48.8 secs Computing kpt #: 536 total cpu time spent up to now is 48.9 secs Computing kpt #: 537 total cpu time spent up to now is 49.0 secs Computing kpt #: 538 total cpu time spent up to now is 49.1 secs Computing kpt #: 539 total cpu time spent up to now is 49.2 secs Computing kpt #: 540 total cpu time spent up to now is 49.3 secs Computing kpt #: 541 total cpu time spent up to now is 49.4 secs Computing kpt #: 542 total cpu time spent up to now is 49.5 secs Computing kpt #: 543 total cpu time spent up to now is 49.6 secs Computing kpt #: 544 total cpu time spent up to now is 49.7 secs Computing kpt #: 545 total cpu time spent up to now is 49.8 secs Computing kpt #: 546 total cpu time spent up to now is 49.9 secs Computing kpt #: 547 total cpu time spent up to now is 50.0 secs Computing kpt #: 548 total cpu time spent up to now is 50.1 secs Computing kpt #: 549 total cpu time spent up to now is 50.1 secs Computing kpt #: 550 total cpu time spent up to now is 50.2 secs Computing kpt #: 551 total cpu time spent up to now is 50.3 secs Computing kpt #: 552 total cpu time spent up to now is 50.4 secs Computing kpt #: 553 total cpu time spent up to now is 50.5 secs Computing kpt #: 554 total cpu time spent up to now is 50.6 secs Computing kpt #: 555 total cpu time spent up to now is 50.7 secs Computing kpt #: 556 total cpu time spent up to now is 50.8 secs Computing kpt #: 557 total cpu time spent up to now is 50.8 secs Computing kpt #: 558 total cpu time spent up to now is 50.9 secs Computing kpt #: 559 total cpu time spent up to now is 51.0 secs Computing kpt #: 560 total cpu time spent up to now is 51.1 secs Computing kpt #: 561 total cpu time spent up to now is 51.2 secs Computing kpt #: 562 total cpu time spent up to now is 51.3 secs Computing kpt #: 563 total cpu time spent up to now is 51.4 secs Computing kpt #: 564 total cpu time spent up to now is 51.4 secs Computing kpt #: 565 total cpu time spent up to now is 51.5 secs Computing kpt #: 566 total cpu time spent up to now is 51.6 secs Computing kpt #: 567 total cpu time spent up to now is 51.7 secs Computing kpt #: 568 total cpu time spent up to now is 51.8 secs Computing kpt #: 569 total cpu time spent up to now is 51.9 secs ethr = 7.14E-08, avg # of iterations = 14.4 total cpu time spent up to now is 51.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1487 PWs) bands (ev): -42.0003 -42.0003 -18.3951 -18.3951 -17.7464 -17.7464 -17.7150 -17.7150 3.4719 3.4719 14.4579 14.4579 14.4739 14.4739 15.0578 15.0578 15.8429 15.8429 16.3382 16.3382 17.2049 17.2049 k = 0.0000 0.0000 0.0092 ( 1479 PWs) bands (ev): -42.0002 -42.0002 -18.3953 -18.3953 -17.7466 -17.7466 -17.7151 -17.7151 3.4737 3.4737 14.4454 14.4454 14.4682 14.4682 15.0585 15.0585 15.8637 15.8637 16.3373 16.3373 17.2042 17.2042 k = 0.0000 0.0000 0.0185 ( 1479 PWs) bands (ev): -42.0000 -42.0000 -18.3959 -18.3959 -17.7473 -17.7473 -17.7156 -17.7156 3.4790 3.4790 14.3926 14.3926 14.4695 14.4695 15.0606 15.0606 15.9227 15.9227 16.3346 16.3346 17.2024 17.2024 k = 0.0000 0.0000 0.0277 ( 1479 PWs) bands (ev): -41.9997 -41.9997 -18.3968 -18.3968 -17.7485 -17.7485 -17.7163 -17.7163 3.4879 3.4879 14.3099 14.3099 14.4749 14.4749 15.0641 15.0641 16.0127 16.0127 16.3300 16.3300 17.1994 17.1994 k = 0.0000 0.0000 0.0369 ( 1479 PWs) bands (ev): -41.9992 -41.9992 -18.3981 -18.3981 -17.7501 -17.7501 -17.7173 -17.7173 3.5003 3.5003 14.2067 14.2067 14.4830 14.4830 15.0691 15.0691 16.1253 16.1253 16.3234 16.3234 17.1954 17.1954 k = 0.0000 0.0000 0.0461 ( 1475 PWs) bands (ev): -41.9985 -41.9985 -18.3997 -18.3997 -17.7523 -17.7523 -17.7185 -17.7185 3.5162 3.5162 14.0898 14.0898 14.4934 14.4934 15.0754 15.0754 16.2541 16.2541 16.3149 16.3149 17.1905 17.1905 k = 0.0000 0.0000 0.0554 ( 1475 PWs) bands (ev): -41.9977 -41.9977 -18.4017 -18.4017 -17.7549 -17.7549 -17.7200 -17.7200 3.5356 3.5356 13.9640 13.9640 14.5062 14.5062 15.0832 15.0832 16.3034 16.3034 16.3951 16.3951 17.1850 17.1850 k = 0.0000 0.0000 0.0646 ( 1473 PWs) bands (ev): -41.9968 -41.9968 -18.4041 -18.4041 -17.7581 -17.7581 -17.7217 -17.7217 3.5585 3.5585 13.8324 13.8324 14.5214 14.5214 15.0924 15.0924 16.2900 16.2900 16.5438 16.5438 17.1789 17.1789 k = 0.0000 0.0000 0.0738 ( 1473 PWs) bands (ev): -41.9957 -41.9957 -18.4069 -18.4069 -17.7618 -17.7618 -17.7236 -17.7236 3.5849 3.5849 13.6971 13.6971 14.5389 14.5389 15.1031 15.1031 16.2738 16.2738 16.6989 16.6989 17.1727 17.1727 k = 0.0000 0.0000 0.0830 ( 1473 PWs) bands (ev): -41.9945 -41.9945 -18.4100 -18.4100 -17.7659 -17.7659 -17.7257 -17.7257 3.6147 3.6147 13.5597 13.5597 14.5587 14.5587 15.1151 15.1151 16.2546 16.2546 16.8586 16.8586 17.1665 17.1665 k = 0.0000 0.0000 0.0923 ( 1473 PWs) bands (ev): -41.9932 -41.9932 -18.4135 -18.4135 -17.7706 -17.7706 -17.7279 -17.7279 3.6480 3.6480 13.4211 13.4211 14.5807 14.5807 15.1286 15.1286 16.2322 16.2322 17.0217 17.0217 17.1610 17.1610 k = 0.0000 0.0000 0.1015 ( 1471 PWs) bands (ev): -41.9917 -41.9917 -18.4173 -18.4173 -17.7758 -17.7758 -17.7303 -17.7303 3.6846 3.6846 13.2820 13.2820 14.6051 14.6051 15.1435 15.1435 16.2063 16.2063 17.1515 17.1515 17.1922 17.1922 k = 0.0000 0.0000 0.1107 ( 1471 PWs) bands (ev): -41.9901 -41.9901 -18.4215 -18.4215 -17.7815 -17.7815 -17.7329 -17.7329 3.7247 3.7247 13.1431 13.1431 14.6318 14.6318 15.1598 15.1598 16.1768 16.1768 17.1496 17.1496 17.3583 17.3583 k = 0.0000 0.0000 0.1199 ( 1471 PWs) bands (ev): -41.9884 -41.9884 -18.4260 -18.4260 -17.7876 -17.7876 -17.7356 -17.7356 3.7680 3.7680 13.0046 13.0046 14.6607 14.6607 15.1775 15.1775 16.1435 16.1435 17.1463 17.1463 17.5286 17.5286 k = 0.0000 0.0000 0.1292 ( 1471 PWs) bands (ev): -41.9865 -41.9865 -18.4309 -18.4309 -17.7942 -17.7942 -17.7384 -17.7384 3.8146 3.8146 12.8670 12.8670 14.6918 14.6918 15.1967 15.1967 16.1062 16.1062 17.1441 17.1441 17.7006 17.7006 k = 0.0000 0.0000 0.1384 ( 1471 PWs) bands (ev): -41.9846 -41.9846 -18.4362 -18.4362 -17.8011 -17.8011 -17.7413 -17.7413 3.8645 3.8645 12.7304 12.7304 14.7252 14.7252 15.2173 15.2173 16.0648 16.0648 17.1433 17.1433 17.8738 17.8738 k = 0.0000 0.0000 0.1476 ( 1467 PWs) bands (ev): -41.9825 -41.9825 -18.4418 -18.4418 -17.8085 -17.8085 -17.7444 -17.7444 3.9176 3.9176 12.5950 12.5950 14.7608 14.7608 15.2393 15.2393 16.0194 16.0194 17.1439 17.1439 18.0480 18.0480 k = 0.0000 0.0000 0.1568 ( 1467 PWs) bands (ev): -41.9803 -41.9803 -18.4477 -18.4477 -17.8163 -17.8163 -17.7476 -17.7476 3.9738 3.9738 12.4610 12.4610 14.7986 14.7986 15.2627 15.2627 15.9698 15.9698 17.1461 17.1461 18.2229 18.2229 k = 0.0000 0.0000 0.1661 ( 1467 PWs) bands (ev): -41.9780 -41.9780 -18.4540 -18.4540 -17.8244 -17.8244 -17.7509 -17.7509 4.0332 4.0332 12.3285 12.3285 14.8386 14.8386 15.2876 15.2876 15.9163 15.9163 17.1499 17.1499 18.3983 18.3983 k = 0.0000 0.0000 0.1753 ( 1471 PWs) bands (ev): -41.9756 -41.9756 -18.4606 -18.4606 -17.8328 -17.8328 -17.7543 -17.7543 4.0956 4.0956 12.1977 12.1977 14.8807 14.8807 15.3139 15.3139 15.8587 15.8587 17.1553 17.1553 18.5740 18.5740 k = 0.0000 0.0000 0.1845 ( 1471 PWs) bands (ev): -41.9731 -41.9731 -18.4675 -18.4675 -17.8415 -17.8415 -17.7579 -17.7579 4.1610 4.1610 12.0686 12.0686 14.9249 14.9249 15.3415 15.3415 15.7974 15.7974 17.1622 17.1622 18.7498 18.7498 k = 0.0000 0.0000 0.1937 ( 1471 PWs) bands (ev): -41.9705 -41.9705 -18.4748 -18.4748 -17.8504 -17.8504 -17.7615 -17.7615 4.2294 4.2294 11.9413 11.9413 14.9713 14.9713 15.3705 15.3705 15.7324 15.7324 17.1706 17.1706 18.9257 18.9257 k = 0.0000 0.0000 0.2030 ( 1467 PWs) bands (ev): -41.9678 -41.9678 -18.4823 -18.4823 -17.8596 -17.8596 -17.7652 -17.7652 4.3007 4.3007 11.8158 11.8158 15.0197 15.0197 15.4009 15.4009 15.6640 15.6640 17.1804 17.1804 19.1013 19.1013 k = 0.0000 0.0000 0.2122 ( 1471 PWs) bands (ev): -41.9650 -41.9650 -18.4902 -18.4902 -17.8690 -17.8690 -17.7691 -17.7691 4.3748 4.3748 11.6923 11.6923 15.0701 15.0701 15.4323 15.4323 15.5926 15.5926 17.1916 17.1916 19.2765 19.2765 k = 0.0000 0.0000 0.2214 ( 1471 PWs) bands (ev): -41.9621 -41.9621 -18.4983 -18.4983 -17.8786 -17.8786 -17.7730 -17.7730 4.4517 4.4517 11.5707 11.5707 15.1225 15.1225 15.4628 15.4628 15.5204 15.5204 17.2041 17.2041 19.4513 19.4513 k = 0.0000 0.0000 0.2306 ( 1475 PWs) bands (ev): -41.9592 -41.9592 -18.5067 -18.5067 -17.8883 -17.8883 -17.7770 -17.7770 4.5312 4.5312 11.4512 11.4512 15.1767 15.1767 15.4345 15.4345 15.5054 15.5054 17.2177 17.2177 19.6254 19.6254 k = 0.0000 0.0000 0.2399 ( 1475 PWs) bands (ev): -41.9562 -41.9562 -18.5154 -18.5154 -17.8982 -17.8982 -17.7811 -17.7811 4.6135 4.6135 11.3337 11.3337 15.2322 15.2322 15.3566 15.3566 15.5394 15.5394 17.2324 17.2324 19.7987 19.7987 k = 0.0000 0.0000 0.2491 ( 1475 PWs) bands (ev): -41.9531 -41.9531 -18.5244 -18.5244 -17.9081 -17.9081 -17.7852 -17.7852 4.6982 4.6982 11.2184 11.2184 15.2636 15.2636 15.3004 15.3004 15.5765 15.5765 17.2482 17.2482 19.9710 19.9710 k = 0.0000 0.0000 0.2583 ( 1473 PWs) bands (ev): -41.9500 -41.9500 -18.5336 -18.5336 -17.9181 -17.9181 -17.7894 -17.7894 4.7855 4.7855 11.1052 11.1052 15.1843 15.1843 15.3541 15.3541 15.6152 15.6152 17.2648 17.2648 20.1422 20.1422 k = 0.0000 0.0000 0.2675 ( 1473 PWs) bands (ev): -41.9468 -41.9468 -18.5431 -18.5431 -17.9281 -17.9281 -17.7937 -17.7937 4.8752 4.8752 10.9941 10.9941 15.0967 15.0967 15.4156 15.4156 15.6554 15.6554 17.2822 17.2822 20.3122 20.3122 k = 0.0000 0.0000 0.2768 ( 1473 PWs) bands (ev): -41.9436 -41.9436 -18.5527 -18.5527 -17.9382 -17.9382 -17.7980 -17.7980 4.9673 4.9673 10.8853 10.8853 15.0066 15.0066 15.4793 15.4793 15.6969 15.6969 17.3004 17.3004 20.4807 20.4807 k = 0.0000 0.0000 0.2860 ( 1474 PWs) bands (ev): -41.9403 -41.9403 -18.5626 -18.5626 -17.9483 -17.9483 -17.8023 -17.8023 5.0616 5.0616 10.7787 10.7787 14.9146 14.9146 15.5448 15.5448 15.7398 15.7398 17.3193 17.3193 20.6476 20.6476 k = 0.0000 0.0000 0.2952 ( 1470 PWs) bands (ev): -41.9370 -41.9370 -18.5726 -18.5726 -17.9583 -17.9583 -17.8067 -17.8067 5.1581 5.1581 10.6744 10.6744 14.8207 14.8207 15.6121 15.6121 15.7840 15.7840 17.3387 17.3387 20.8129 20.8129 k = 0.0000 0.0000 0.3044 ( 1474 PWs) bands (ev): -41.9336 -41.9336 -18.5829 -18.5829 -17.9683 -17.9683 -17.8111 -17.8111 5.2566 5.2566 10.5723 10.5723 14.7253 14.7253 15.6810 15.6810 15.8295 15.8295 17.3587 17.3587 20.9762 20.9762 k = 0.0000 0.0000 0.3137 ( 1474 PWs) bands (ev): -41.9303 -41.9303 -18.5932 -18.5932 -17.9783 -17.9783 -17.8155 -17.8155 5.3572 5.3572 10.4726 10.4726 14.6286 14.6286 15.7515 15.7515 15.8763 15.8763 17.3790 17.3790 21.1375 21.1375 k = 0.0000 0.0000 0.3229 ( 1470 PWs) bands (ev): -41.9269 -41.9269 -18.6038 -18.6038 -17.9881 -17.9881 -17.8199 -17.8199 5.4598 5.4598 10.3751 10.3751 14.5306 14.5306 15.8235 15.8235 15.9244 15.9244 17.3997 17.3997 21.2967 21.2967 k = 0.0000 0.0000 0.3321 ( 1462 PWs) bands (ev): -41.9235 -41.9235 -18.6144 -18.6144 -17.9978 -17.9978 -17.8243 -17.8243 5.5641 5.5641 10.2801 10.2801 14.4315 14.4315 15.8968 15.8968 15.9739 15.9739 17.4207 17.4207 21.4535 21.4535 k = 0.0000 0.0000 0.3413 ( 1466 PWs) bands (ev): -41.9201 -41.9201 -18.6251 -18.6251 -18.0075 -18.0075 -17.8287 -17.8287 5.6702 5.6702 10.1873 10.1873 14.3316 14.3316 15.9711 15.9711 16.0248 16.0248 17.4419 17.4419 21.6079 21.6079 k = 0.0000 0.0000 0.3506 ( 1464 PWs) bands (ev): -41.9167 -41.9167 -18.6358 -18.6358 -18.0170 -18.0170 -17.8331 -17.8331 5.7779 5.7779 10.0970 10.0970 14.2309 14.2309 16.0456 16.0456 16.0780 16.0780 17.4632 17.4632 21.7596 21.7596 k = 0.0000 0.0000 0.3598 ( 1464 PWs) bands (ev): -41.9133 -41.9133 -18.6467 -18.6467 -18.0263 -18.0263 -17.8375 -17.8375 5.8872 5.8872 10.0090 10.0090 14.1295 14.1295 16.1156 16.1156 16.1380 16.1380 17.4846 17.4846 21.9086 21.9086 k = 0.0000 0.0000 0.3690 ( 1466 PWs) bands (ev): -41.9100 -41.9100 -18.6575 -18.6575 -18.0355 -18.0355 -17.8419 -17.8419 5.9978 5.9978 9.9235 9.9235 14.0276 14.0276 16.1752 16.1752 16.2106 16.2106 17.5060 17.5060 22.0548 22.0548 k = 0.0000 0.0000 0.3782 ( 1466 PWs) bands (ev): -41.9066 -41.9066 -18.6683 -18.6683 -18.0445 -18.0445 -17.8462 -17.8462 6.1099 6.1099 9.8404 9.8404 13.9253 13.9253 16.2311 16.2311 16.2889 16.2889 17.5274 17.5274 22.1978 22.1978 k = 0.0000 0.0000 0.3875 ( 1466 PWs) bands (ev): -41.9033 -41.9033 -18.6791 -18.6791 -18.0533 -18.0533 -17.8504 -17.8504 6.2231 6.2231 9.7597 9.7597 13.8227 13.8227 16.2869 16.2869 16.3692 16.3692 17.5486 17.5486 22.3377 22.3377 k = 0.0000 0.0000 0.3967 ( 1472 PWs) bands (ev): -41.9000 -41.9000 -18.6899 -18.6899 -18.0619 -18.0619 -17.8546 -17.8546 6.3374 6.3374 9.6815 9.6815 13.7199 13.7199 16.3431 16.3431 16.4507 16.4507 17.5697 17.5697 22.4743 22.4743 k = 0.0000 0.0000 0.4059 ( 1472 PWs) bands (ev): -41.8968 -41.8968 -18.7006 -18.7006 -18.0703 -18.0703 -17.8588 -17.8588 6.4528 6.4528 9.6057 9.6057 13.6170 13.6170 16.3999 16.3999 16.5331 16.5331 17.5905 17.5905 22.6075 22.6075 k = 0.0000 0.0000 0.4151 ( 1474 PWs) bands (ev): -41.8936 -41.8936 -18.7112 -18.7112 -18.0785 -18.0785 -17.8628 -17.8628 6.5690 6.5690 9.5325 9.5325 13.5140 13.5140 16.4572 16.4572 16.6163 16.6163 17.6110 17.6110 22.7371 22.7371 k = 0.0000 0.0000 0.4244 ( 1476 PWs) bands (ev): -41.8904 -41.8904 -18.7217 -18.7217 -18.0864 -18.0864 -17.8668 -17.8668 6.6859 6.6859 9.4617 9.4617 13.4112 13.4112 16.5151 16.5151 16.7001 16.7001 17.6312 17.6312 22.8631 22.8631 k = 0.0000 0.0000 0.4336 ( 1476 PWs) bands (ev): -41.8873 -41.8873 -18.7320 -18.7320 -18.0941 -18.0941 -17.8707 -17.8707 6.8035 6.8035 9.3933 9.3933 13.3085 13.3085 16.5733 16.5733 16.7843 16.7843 17.6510 17.6510 22.9853 22.9853 k = 0.0000 0.0000 0.4428 ( 1476 PWs) bands (ev): -41.8843 -41.8843 -18.7422 -18.7422 -18.1016 -18.1016 -17.8746 -17.8746 6.9215 6.9215 9.3275 9.3275 13.2061 13.2061 16.6319 16.6319 16.8688 16.8688 17.6703 17.6703 23.1036 23.1036 k = 0.0000 0.0000 0.4521 ( 1476 PWs) bands (ev): -41.8813 -41.8813 -18.7521 -18.7521 -18.1088 -18.1088 -17.8783 -17.8783 7.0399 7.0399 9.2643 9.2643 13.1039 13.1039 16.6906 16.6906 16.9533 16.9533 17.6891 17.6891 23.2179 23.2179 k = 0.0000 0.0000 0.4613 ( 1476 PWs) bands (ev): -41.8784 -41.8784 -18.7619 -18.7619 -18.1158 -18.1158 -17.8819 -17.8819 7.1585 7.1585 9.2035 9.2035 13.0021 13.0021 16.7494 16.7494 17.0378 17.0378 17.7074 17.7074 23.3282 23.3282 k = 0.0000 0.0000 0.4705 ( 1476 PWs) bands (ev): -41.8756 -41.8756 -18.7714 -18.7714 -18.1225 -18.1225 -17.8854 -17.8854 7.2771 7.2771 9.1453 9.1453 12.9008 12.9008 16.8081 16.8081 17.1221 17.1221 17.7251 17.7251 23.4343 23.4343 k = 0.0000 0.0000 0.4797 ( 1474 PWs) bands (ev): -41.8729 -41.8729 -18.7806 -18.7806 -18.1290 -18.1290 -17.8889 -17.8889 7.3955 7.3955 9.0896 9.0896 12.8000 12.8000 16.8666 16.8666 17.2058 17.2058 17.7421 17.7421 23.5361 23.5361 k = 0.0000 0.0000 0.4890 ( 1474 PWs) bands (ev): -41.8702 -41.8702 -18.7896 -18.7896 -18.1352 -18.1352 -17.8921 -17.8921 7.5137 7.5137 9.0364 9.0364 12.6998 12.6998 16.9247 16.9247 17.2889 17.2889 17.7585 17.7585 23.6337 23.6337 k = 0.0000 0.0000 0.4982 ( 1470 PWs) bands (ev): -41.8677 -41.8677 -18.7983 -18.7983 -18.1411 -18.1411 -17.8953 -17.8953 7.6313 7.6313 8.9858 8.9858 12.6003 12.6003 16.9822 16.9822 17.3710 17.3710 17.7742 17.7742 23.7268 23.7268 k = 0.0000 0.0000 0.5074 ( 1470 PWs) bands (ev): -41.8653 -41.8653 -18.8067 -18.8067 -18.1467 -18.1467 -17.8983 -17.8983 7.7482 7.7482 8.9378 8.9378 12.5015 12.5015 17.0389 17.0389 17.4520 17.4520 17.7892 17.7892 23.8154 23.8154 k = 0.0000 0.0000 0.5166 ( 1470 PWs) bands (ev): -41.8629 -41.8629 -18.8147 -18.8147 -18.1520 -18.1520 -17.9012 -17.9012 7.8641 7.8641 8.8923 8.8923 12.4037 12.4037 17.0947 17.0947 17.5315 17.5315 17.8034 17.8034 23.8996 23.8996 k = 0.0000 0.0000 0.5259 ( 1470 PWs) bands (ev): -41.8607 -41.8607 -18.8223 -18.8223 -18.1571 -18.1571 -17.9040 -17.9040 7.9789 7.9789 8.8494 8.8494 12.3069 12.3069 17.1493 17.1493 17.6092 17.6092 17.8170 17.8170 23.9791 23.9791 k = 0.0000 0.0000 0.5351 ( 1470 PWs) bands (ev): -41.8586 -41.8586 -18.8296 -18.8296 -18.1618 -18.1618 -17.9066 -17.9066 8.0921 8.0921 8.8091 8.8091 12.2113 12.2113 17.2025 17.2025 17.6847 17.6847 17.8298 17.8298 23.9797 23.9798 k = 0.0000 0.0000 0.5443 ( 1474 PWs) bands (ev): -41.8566 -41.8566 -18.8365 -18.8365 -18.1663 -18.1663 -17.9091 -17.9091 8.2036 8.2036 8.7714 8.7714 12.1171 12.1171 17.2541 17.2541 17.7575 17.7575 17.8422 17.8422 23.9069 23.9069 k = 0.0000 0.0000 0.5535 ( 1474 PWs) bands (ev): -41.8547 -41.8547 -18.8430 -18.8430 -18.1705 -18.1705 -17.9114 -17.9114 8.3129 8.3129 8.7362 8.7362 12.0246 12.0246 17.3037 17.3037 17.8251 17.8251 17.8563 17.8563 23.8379 23.8379 k = 0.0000 0.0000 0.5628 ( 1474 PWs) bands (ev): -41.8530 -41.8530 -18.8490 -18.8490 -18.1743 -18.1743 -17.9136 -17.9136 8.4196 8.4196 8.7036 8.7036 11.9339 11.9339 17.3512 17.3512 17.8586 17.8586 17.9005 17.9005 23.7730 23.7730 k = 0.0000 0.0000 0.5720 ( 1474 PWs) bands (ev): -41.8513 -41.8513 -18.8547 -18.8547 -18.1779 -18.1779 -17.9156 -17.9156 8.5232 8.5232 8.6736 8.6736 11.8456 11.8456 17.3962 17.3962 17.8698 17.8698 17.9629 17.9629 23.7124 23.7124 k = 0.0000 0.0000 0.5812 ( 1474 PWs) bands (ev): -41.8498 -41.8498 -18.8599 -18.8599 -18.1812 -18.1812 -17.9174 -17.9174 8.6232 8.6232 8.6463 8.6463 11.7600 11.7600 17.4386 17.4386 17.8787 17.8787 18.0228 18.0228 23.6563 23.6563 k = 0.0000 0.0000 0.5904 ( 1472 PWs) bands (ev): -41.8485 -41.8485 -18.8646 -18.8646 -18.1841 -18.1841 -17.9191 -17.9191 8.6215 8.6215 8.7189 8.7189 11.6777 11.6777 17.4779 17.4779 17.8866 17.8866 18.0788 18.0788 23.6049 23.6049 k = 0.0000 0.0000 0.5997 ( 1476 PWs) bands (ev): -41.8473 -41.8473 -18.8688 -18.8688 -18.1868 -18.1868 -17.9206 -17.9206 8.5993 8.5993 8.8095 8.8095 11.5995 11.5995 17.5140 17.5140 17.8935 17.8935 18.1302 18.1302 23.5584 23.5584 k = 0.0000 0.0000 0.6089 ( 1480 PWs) bands (ev): -41.8462 -41.8462 -18.8726 -18.8726 -18.1891 -18.1891 -17.9219 -17.9219 8.5797 8.5797 8.8940 8.8940 11.5260 11.5260 17.5466 17.5466 17.8996 17.8996 18.1767 18.1767 23.5171 23.5171 k = 0.0000 0.0000 0.6181 ( 1476 PWs) bands (ev): -41.8452 -41.8452 -18.8759 -18.8759 -18.1912 -18.1912 -17.9231 -17.9231 8.5627 8.5627 8.9714 8.9714 11.4584 11.4584 17.5754 17.5754 17.9048 17.9048 18.2180 18.2180 23.4809 23.4809 k = 0.0000 0.0000 0.6273 ( 1480 PWs) bands (ev): -41.8444 -41.8444 -18.8787 -18.8787 -18.1929 -18.1929 -17.9240 -17.9240 8.5484 8.5484 9.0405 9.0405 11.3978 11.3978 17.6003 17.6003 17.9092 17.9092 18.2535 18.2535 23.4501 23.4501 k = 0.0000 0.0000 0.6366 ( 1480 PWs) bands (ev): -41.8438 -41.8438 -18.8810 -18.8810 -18.1943 -18.1943 -17.9248 -17.9248 8.5366 8.5366 9.0998 9.0998 11.3455 11.3455 17.6209 17.6209 17.9128 17.9128 18.2830 18.2830 23.4247 23.4247 k = 0.0000 0.0000 0.6458 ( 1480 PWs) bands (ev): -41.8433 -41.8433 -18.8828 -18.8828 -18.1954 -18.1954 -17.9255 -17.9255 8.5275 8.5275 9.1480 9.1480 11.3029 11.3029 17.6371 17.6371 17.9156 17.9156 18.3063 18.3063 23.4049 23.4049 k = 0.0000 0.0000 0.6550 ( 1480 PWs) bands (ev): -41.8429 -41.8429 -18.8841 -18.8841 -18.1962 -18.1962 -17.9259 -17.9259 8.5209 8.5209 9.1836 9.1836 11.2712 11.2712 17.6488 17.6488 17.9176 17.9176 18.3231 18.3231 23.3907 23.3907 k = 0.0000 0.0000 0.6642 ( 1480 PWs) bands (ev): -41.8427 -41.8427 -18.8848 -18.8848 -18.1967 -18.1967 -17.9262 -17.9262 8.5170 8.5170 9.2055 9.2055 11.2517 11.2517 17.6559 17.6559 17.9187 17.9187 18.3333 18.3333 23.3821 23.3821 k = 0.0000 0.0000 0.6735 ( 1480 PWs) bands (ev): -41.8426 -41.8426 -18.8851 -18.8851 -18.1968 -18.1968 -17.9263 -17.9263 8.5157 8.5157 9.2129 9.2129 11.2451 11.2451 17.6582 17.6582 17.9191 17.9191 18.3366 18.3366 23.3793 23.3793 k = 0.0000 0.0000 0.6735 ( 1480 PWs) bands (ev): -41.8426 -41.8426 -18.8851 -18.8851 -18.1968 -18.1968 -17.9263 -17.9263 8.5157 8.5157 9.2129 9.2129 11.2451 11.2451 17.6582 17.6582 17.9191 17.9191 18.3366 18.3366 23.3793 23.3793 k =-0.0068 0.0062 0.6735 ( 1480 PWs) bands (ev): -41.8426 -41.8426 -18.8850 -18.8850 -18.1969 -18.1969 -17.9264 -17.9264 8.5166 8.5166 9.2119 9.2119 11.2466 11.2466 17.6600 17.6600 17.9157 17.9157 18.3365 18.3365 23.3779 23.3779 k =-0.0136 0.0123 0.6735 ( 1480 PWs) bands (ev): -41.8425 -41.8425 -18.8847 -18.8847 -18.1971 -18.1971 -17.9268 -17.9268 8.5192 8.5192 9.2087 9.2087 11.2510 11.2510 17.6655 17.6655 17.9054 17.9054 18.3361 18.3361 23.3738 23.3738 k =-0.0205 0.0185 0.6735 ( 1480 PWs) bands (ev): -41.8424 -41.8424 -18.8841 -18.8841 -18.1975 -18.1975 -17.9275 -17.9275 8.5236 8.5236 9.2034 9.2034 11.2583 11.2583 17.6746 17.6746 17.8884 17.8884 18.3355 18.3355 23.3672 23.3672 k =-0.0273 0.0246 0.6735 ( 1480 PWs) bands (ev): -41.8423 -41.8423 -18.8834 -18.8834 -18.1980 -18.1980 -17.9285 -17.9285 8.5298 8.5298 9.1961 9.1961 11.2685 11.2685 17.6873 17.6873 17.8648 17.8648 18.3346 18.3346 23.3583 23.3583 k =-0.0341 0.0308 0.6735 ( 1476 PWs) bands (ev): -41.8421 -41.8421 -18.8825 -18.8825 -18.1987 -18.1987 -17.9297 -17.9297 8.5377 8.5377 9.1867 9.1867 11.2816 11.2816 17.7035 17.7035 17.8349 17.8349 18.3335 18.3335 23.3475 23.3475 k =-0.0409 0.0369 0.6735 ( 1480 PWs) bands (ev): -41.8419 -41.8419 -18.8814 -18.8814 -18.1994 -18.1994 -17.9312 -17.9312 8.5474 8.5474 9.1753 9.1753 11.2975 11.2975 17.7228 17.7228 17.7991 17.7991 18.3322 18.3322 23.3351 23.3351 k =-0.0478 0.0431 0.6735 ( 1480 PWs) bands (ev): -41.8417 -41.8417 -18.8800 -18.8800 -18.2004 -18.2004 -17.9330 -17.9330 8.5587 8.5587 9.1619 9.1619 11.3162 11.3162 17.7403 17.7403 17.7628 17.7628 18.3306 18.3306 23.3213 23.3213 k =-0.0546 0.0493 0.6735 ( 1474 PWs) bands (ev): -41.8414 -41.8414 -18.8785 -18.8785 -18.2014 -18.2014 -17.9350 -17.9350 8.5718 8.5718 9.1466 9.1466 11.3376 11.3376 17.7056 17.7056 17.7764 17.7764 18.3288 18.3288 23.3065 23.3065 k =-0.0614 0.0554 0.6735 ( 1474 PWs) bands (ev): -41.8411 -41.8411 -18.8769 -18.8769 -18.2026 -18.2026 -17.9373 -17.9373 8.5866 8.5866 9.1295 9.1295 11.3616 11.3616 17.6533 17.6533 17.8059 17.8059 18.3267 18.3267 23.2908 23.2908 k =-0.0682 0.0616 0.6735 ( 1474 PWs) bands (ev): -41.8408 -41.8408 -18.8750 -18.8750 -18.2039 -18.2039 -17.9398 -17.9398 8.6031 8.6031 9.1105 9.1105 11.3882 11.3882 17.5954 17.5954 17.8394 17.8394 18.3245 18.3245 23.2745 23.2745 k =-0.0751 0.0677 0.6735 ( 1474 PWs) bands (ev): -41.8404 -41.8404 -18.8730 -18.8730 -18.2053 -18.2053 -17.9425 -17.9425 8.6212 8.6212 9.0898 9.0898 11.4173 11.4173 17.5330 17.5330 17.8763 17.8763 18.3220 18.3220 23.2015 23.2015 k =-0.0819 0.0739 0.6735 ( 1474 PWs) bands (ev): -41.8400 -41.8400 -18.8709 -18.8709 -18.2068 -18.2068 -17.9455 -17.9455 8.6410 8.6410 9.0674 9.0674 11.4488 11.4488 17.4664 17.4664 17.9164 17.9164 18.3193 18.3193 23.0672 23.0672 k =-0.0887 0.0800 0.6735 ( 1474 PWs) bands (ev): -41.8396 -41.8396 -18.8686 -18.8686 -18.2084 -18.2084 -17.9487 -17.9487 8.6623 8.6623 9.0434 9.0434 11.4825 11.4825 17.3962 17.3962 17.9597 17.9597 18.3164 18.3164 22.9342 22.9342 k =-0.0955 0.0862 0.6735 ( 1478 PWs) bands (ev): -41.8391 -41.8391 -18.8663 -18.8663 -18.2100 -18.2100 -17.9521 -17.9521 8.6853 8.6853 9.0180 9.0180 11.5184 11.5184 17.3229 17.3229 18.0060 18.0060 18.3133 18.3133 22.8025 22.8025 k =-0.1023 0.0924 0.6735 ( 1482 PWs) bands (ev): -41.8386 -41.8386 -18.8638 -18.8638 -18.2118 -18.2118 -17.9556 -17.9556 8.7098 8.7098 8.9911 8.9911 11.5562 11.5562 17.2470 17.2470 18.0553 18.0553 18.3100 18.3100 22.6720 22.6720 k =-0.1092 0.0985 0.6735 ( 1478 PWs) bands (ev): -41.8381 -41.8381 -18.8612 -18.8612 -18.2136 -18.2136 -17.9594 -17.9594 8.7358 8.7358 8.9629 8.9629 11.5958 11.5958 17.1688 17.1688 18.1074 18.1074 18.3066 18.3066 22.5429 22.5429 k =-0.1160 0.1047 0.6735 ( 1478 PWs) bands (ev): -41.8376 -41.8376 -18.8585 -18.8585 -18.2154 -18.2154 -17.9633 -17.9633 8.7632 8.7632 8.9335 8.9335 11.6370 11.6370 17.0891 17.0891 18.1621 18.1621 18.3032 18.3032 22.4152 22.4152 k =-0.1228 0.1108 0.6735 ( 1478 PWs) bands (ev): -41.8370 -41.8370 -18.8558 -18.8558 -18.2173 -18.2173 -17.9673 -17.9673 8.7918 8.7918 8.9032 8.9032 11.6796 11.6796 17.0082 17.0082 18.2191 18.2191 18.3000 18.3000 22.2887 22.2887 k =-0.1296 0.1170 0.6735 ( 1478 PWs) bands (ev): -41.8364 -41.8364 -18.8531 -18.8531 -18.2192 -18.2192 -17.9715 -17.9715 8.8208 8.8208 8.8729 8.8729 11.7234 11.7234 16.9268 16.9268 18.2743 18.2743 18.3010 18.3010 22.1636 22.1636 k =-0.1365 0.1231 0.6735 ( 1478 PWs) bands (ev): -41.8358 -41.8358 -18.8503 -18.8503 -18.2211 -18.2211 -17.9758 -17.9758 8.8314 8.8314 8.8614 8.8614 11.7681 11.7681 16.8452 16.8452 18.2875 18.2875 18.3464 18.3464 22.0398 22.0398 k =-0.1433 0.1293 0.6735 ( 1474 PWs) bands (ev): -41.8351 -41.8351 -18.8476 -18.8476 -18.2230 -18.2230 -17.9803 -17.9803 8.8018 8.8018 8.8905 8.8905 11.8134 11.8134 16.7642 16.7642 18.2844 18.2844 18.4103 18.4103 21.9173 21.9173 k =-0.1501 0.1355 0.6735 ( 1474 PWs) bands (ev): -41.8345 -41.8345 -18.8448 -18.8448 -18.2249 -18.2249 -17.9848 -17.9848 8.7679 8.7679 8.9244 8.9244 11.8591 11.8591 16.6842 16.6842 18.2802 18.2802 18.4775 18.4775 21.7962 21.7962 k =-0.1569 0.1416 0.6735 ( 1474 PWs) bands (ev): -41.8338 -41.8338 -18.8421 -18.8421 -18.2267 -18.2267 -17.9894 -17.9894 8.7328 8.7328 8.9600 8.9600 11.9048 11.9048 16.6058 16.6058 18.2757 18.2757 18.5471 18.5471 21.6764 21.6764 k =-0.1638 0.1478 0.6735 ( 1474 PWs) bands (ev): -41.8331 -41.8331 -18.8394 -18.8394 -18.2285 -18.2285 -17.9940 -17.9940 8.6969 8.6969 8.9969 8.9969 11.9502 11.9502 16.5296 16.5296 18.2709 18.2709 18.6190 18.6190 21.5580 21.5580 k =-0.1706 0.1539 0.6735 ( 1470 PWs) bands (ev): -41.8323 -41.8323 -18.8369 -18.8369 -18.2302 -18.2302 -17.9987 -17.9987 8.6604 8.6604 9.0351 9.0351 11.9947 11.9947 16.4561 16.4561 18.2660 18.2660 18.6929 18.6929 21.4410 21.4410 k =-0.1774 0.1601 0.6735 ( 1470 PWs) bands (ev): -41.8316 -41.8316 -18.8344 -18.8344 -18.2319 -18.2319 -18.0034 -18.0034 8.6234 8.6234 9.0745 9.0745 12.0381 12.0381 16.3861 16.3861 18.2609 18.2609 18.7688 18.7688 21.3252 21.3252 k =-0.1842 0.1662 0.6735 ( 1464 PWs) bands (ev): -41.8308 -41.8308 -18.8320 -18.8320 -18.2335 -18.2335 -18.0082 -18.0082 8.5859 8.5859 9.1150 9.1150 12.0799 12.0799 16.3200 16.3200 18.2557 18.2557 18.8465 18.8465 21.2109 21.2109 k =-0.1910 0.1724 0.6735 ( 1464 PWs) bands (ev): -41.8300 -41.8300 -18.8298 -18.8298 -18.2350 -18.2350 -18.0129 -18.0129 8.5481 8.5481 9.1565 9.1565 12.1196 12.1196 16.2585 16.2585 18.2504 18.2504 18.9261 18.9261 21.0979 21.0979 k =-0.1979 0.1785 0.6735 ( 1466 PWs) bands (ev): -41.8293 -41.8293 -18.8277 -18.8277 -18.2364 -18.2364 -18.0176 -18.0176 8.5101 8.5101 9.1990 9.1990 12.1567 12.1567 16.2023 16.2023 18.2450 18.2450 19.0074 19.0074 20.9864 20.9864 k =-0.2047 0.1847 0.6735 ( 1462 PWs) bands (ev): -41.8285 -41.8285 -18.8257 -18.8257 -18.2377 -18.2377 -18.0222 -18.0222 8.4718 8.4718 9.2425 9.2425 12.1907 12.1907 16.1519 16.1519 18.2395 18.2395 19.0903 19.0903 20.8762 20.8762 k =-0.2115 0.1909 0.6735 ( 1462 PWs) bands (ev): -41.8277 -41.8277 -18.8240 -18.8240 -18.2389 -18.2389 -18.0268 -18.0268 8.4335 8.4335 9.2868 9.2868 12.2212 12.2212 16.1078 16.1078 18.2340 18.2340 19.1747 19.1747 20.7675 20.7675 k =-0.2183 0.1970 0.6735 ( 1466 PWs) bands (ev): -41.8268 -41.8268 -18.8224 -18.8224 -18.2400 -18.2400 -18.0313 -18.0313 8.3951 8.3951 9.3319 9.3319 12.2476 12.2476 16.0707 16.0707 18.2283 18.2283 19.2605 19.2605 20.6601 20.6601 k =-0.2252 0.2032 0.6735 ( 1466 PWs) bands (ev): -41.8260 -41.8260 -18.8211 -18.8211 -18.2409 -18.2409 -18.0357 -18.0357 8.3568 8.3568 9.3777 9.3777 12.2697 12.2697 16.0411 16.0411 18.2227 18.2227 19.3478 19.3478 20.5543 20.5543 k =-0.2320 0.2093 0.6735 ( 1470 PWs) bands (ev): -41.8252 -41.8252 -18.8199 -18.8199 -18.2417 -18.2417 -18.0400 -18.0400 8.3185 8.3185 9.4243 9.4243 12.2869 12.2869 16.0192 16.0192 18.2169 18.2169 19.4363 19.4363 20.4499 20.4499 k =-0.2388 0.2155 0.6735 ( 1470 PWs) bands (ev): -41.8244 -41.8244 -18.8190 -18.8190 -18.2424 -18.2424 -18.0442 -18.0442 8.2805 8.2805 9.4714 9.4714 12.2991 12.2991 16.0055 16.0055 18.2112 18.2112 19.5261 19.5261 20.3471 20.3471 k =-0.2456 0.2216 0.6735 ( 1470 PWs) bands (ev): -41.8235 -41.8235 -18.8183 -18.8183 -18.2430 -18.2430 -18.0482 -18.0482 8.2426 8.2426 9.5190 9.5190 12.3060 12.3060 16.0002 16.0002 18.2054 18.2054 19.6170 19.6170 20.2458 20.2458 k =-0.2525 0.2278 0.6735 ( 1470 PWs) bands (ev): -41.8227 -41.8227 -18.8178 -18.8178 -18.2435 -18.2435 -18.0520 -18.0520 8.2051 8.2051 9.5672 9.5672 12.3075 12.3075 16.0033 16.0033 18.1996 18.1996 19.7090 19.7090 20.1460 20.1460 k =-0.2593 0.2340 0.6735 ( 1470 PWs) bands (ev): -41.8219 -41.8219 -18.8176 -18.8176 -18.2439 -18.2439 -18.0557 -18.0557 8.1680 8.1680 9.6157 9.6157 12.3036 12.3036 16.0148 16.0148 18.1938 18.1938 19.8020 19.8020 20.0479 20.0479 k =-0.2661 0.2401 0.6735 ( 1470 PWs) bands (ev): -41.8210 -41.8210 -18.8176 -18.8176 -18.2441 -18.2441 -18.0592 -18.0592 8.1312 8.1312 9.6645 9.6645 12.2945 12.2945 16.0346 16.0346 18.1880 18.1880 19.8954 19.8954 19.9520 19.9520 k =-0.2729 0.2463 0.6735 ( 1472 PWs) bands (ev): -41.8202 -41.8202 -18.8178 -18.8178 -18.2443 -18.2443 -18.0624 -18.0624 8.0950 8.0950 9.7135 9.7135 12.2803 12.2803 16.0625 16.0625 18.1823 18.1823 19.8560 19.8560 19.9914 19.9914 k =-0.2798 0.2524 0.6735 ( 1468 PWs) bands (ev): -41.8194 -41.8194 -18.8183 -18.8183 -18.2445 -18.2445 -18.0654 -18.0654 8.0592 8.0592 9.7627 9.7627 12.2614 12.2614 16.0980 16.0980 18.1766 18.1766 19.7631 19.7631 20.0870 20.0870 k =-0.2866 0.2586 0.6735 ( 1472 PWs) bands (ev): -41.8186 -41.8186 -18.8190 -18.8190 -18.2446 -18.2446 -18.0682 -18.0682 8.0241 8.0241 9.8120 9.8120 12.2380 12.2380 16.1408 16.1408 18.1709 18.1709 19.6717 19.6717 20.1835 20.1835 k =-0.2934 0.2647 0.6735 ( 1468 PWs) bands (ev): -41.8178 -41.8178 -18.8199 -18.8199 -18.2446 -18.2446 -18.0707 -18.0707 7.9895 7.9895 9.8612 9.8612 12.2107 12.2107 16.1902 16.1902 18.1652 18.1652 19.5821 19.5821 20.2807 20.2807 k =-0.3002 0.2709 0.6735 ( 1468 PWs) bands (ev): -41.8170 -41.8170 -18.8209 -18.8209 -18.2447 -18.2447 -18.0729 -18.0729 7.9557 7.9557 9.9103 9.9103 12.1798 12.1798 16.2458 16.2458 18.1597 18.1597 19.4944 19.4944 20.3787 20.3787 k =-0.3070 0.2771 0.6735 ( 1472 PWs) bands (ev): -41.8162 -41.8162 -18.8222 -18.8222 -18.2447 -18.2447 -18.0748 -18.0748 7.9226 7.9226 9.9593 9.9593 12.1459 12.1459 16.3069 16.3069 18.1542 18.1542 19.4085 19.4085 20.4772 20.4772 k =-0.3070 0.2771 0.6735 ( 1472 PWs) bands (ev): -41.8162 -41.8162 -18.8222 -18.8222 -18.2447 -18.2447 -18.0748 -18.0748 7.9226 7.9226 9.9593 9.9593 12.1459 12.1459 16.3069 16.3069 18.1542 18.1542 19.4085 19.4085 20.4772 20.4772 k =-0.3119 0.2814 0.6670 ( 1470 PWs) bands (ev): -41.8157 -41.8157 -18.8232 -18.8232 -18.2447 -18.2447 -18.0760 -18.0760 7.8993 7.8993 9.9936 9.9936 12.1210 12.1210 16.3531 16.3531 18.1478 18.1478 19.3519 19.3519 20.5425 20.5425 k =-0.3167 0.2858 0.6605 ( 1474 PWs) bands (ev): -41.8152 -41.8152 -18.8241 -18.8241 -18.2447 -18.2447 -18.0769 -18.0769 7.8760 7.8760 10.0277 10.0277 12.0961 12.0961 16.4015 16.4015 18.1362 18.1362 19.3022 19.3022 20.5980 20.5980 k =-0.3215 0.2901 0.6540 ( 1478 PWs) bands (ev): -41.8147 -41.8147 -18.8251 -18.8251 -18.2447 -18.2447 -18.0776 -18.0776 7.8528 7.8528 10.0613 10.0613 12.0716 12.0716 16.4517 16.4517 18.1196 18.1196 19.2593 19.2593 20.6425 20.6425 k =-0.3263 0.2945 0.6475 ( 1478 PWs) bands (ev): -41.8143 -41.8143 -18.8261 -18.8261 -18.2447 -18.2447 -18.0781 -18.0781 7.8300 7.8300 10.0942 10.0942 12.0475 12.0475 16.5031 16.5031 18.0985 18.0985 19.2232 19.2232 20.6755 20.6755 k =-0.3312 0.2988 0.6410 ( 1477 PWs) bands (ev): -41.8139 -41.8139 -18.8271 -18.8271 -18.2447 -18.2447 -18.0784 -18.0784 7.8077 7.8077 10.1262 10.1262 12.0240 12.0240 16.5555 16.5555 18.0733 18.0733 19.1933 19.1933 20.6971 20.6971 k =-0.3360 0.3032 0.6345 ( 1475 PWs) bands (ev): -41.8136 -41.8136 -18.8281 -18.8281 -18.2447 -18.2447 -18.0786 -18.0786 7.7860 7.7860 10.1573 10.1573 12.0013 12.0013 16.6082 16.6082 18.0449 18.0449 19.1691 19.1691 20.7078 20.7078 k =-0.3408 0.3075 0.6280 ( 1477 PWs) bands (ev): -41.8133 -41.8133 -18.8290 -18.8290 -18.2448 -18.2448 -18.0785 -18.0785 7.7651 7.7651 10.1872 10.1872 11.9795 11.9795 16.6608 16.6608 18.0141 18.0141 19.1500 19.1500 20.7087 20.7087 k =-0.3456 0.3119 0.6215 ( 1477 PWs) bands (ev): -41.8130 -41.8130 -18.8299 -18.8299 -18.2448 -18.2448 -18.0784 -18.0784 7.7453 7.7453 10.2157 10.2157 11.9588 11.9588 16.7128 16.7128 17.9818 17.9818 19.1352 19.1352 20.7013 20.7013 k =-0.3505 0.3162 0.6150 ( 1480 PWs) bands (ev): -41.8127 -41.8127 -18.8308 -18.8308 -18.2449 -18.2449 -18.0782 -18.0782 7.7265 7.7265 10.2427 10.2427 11.9392 11.9392 16.7636 16.7636 17.9489 17.9489 19.1240 19.1240 20.6871 20.6871 k =-0.3553 0.3206 0.6085 ( 1480 PWs) bands (ev): -41.8125 -41.8125 -18.8316 -18.8316 -18.2449 -18.2449 -18.0778 -18.0778 7.7089 7.7089 10.2680 10.2680 11.9209 11.9209 16.8126 16.8126 17.9162 17.9162 19.1158 19.1158 20.6680 20.6680 k =-0.3601 0.3249 0.6020 ( 1482 PWs) bands (ev): -41.8123 -41.8123 -18.8323 -18.8323 -18.2450 -18.2450 -18.0775 -18.0775 7.6927 7.6927 10.2914 10.2914 11.9041 11.9041 16.8594 16.8594 17.8845 17.8845 19.1099 19.1099 20.6454 20.6454 k =-0.3649 0.3293 0.5955 ( 1488 PWs) bands (ev): -41.8121 -41.8121 -18.8330 -18.8330 -18.2451 -18.2451 -18.0771 -18.0771 7.6779 7.6779 10.3128 10.3128 11.8888 11.8888 16.9034 16.9034 17.8545 17.8545 19.1058 19.1058 20.6209 20.6209 k =-0.3698 0.3336 0.5890 ( 1489 PWs) bands (ev): -41.8120 -41.8120 -18.8337 -18.8337 -18.2452 -18.2452 -18.0767 -18.0767 7.6647 7.6647 10.3321 10.3321 11.8750 11.8750 16.9438 16.9438 17.8267 17.8267 19.1031 19.1031 20.5959 20.5959 k =-0.3746 0.3380 0.5825 ( 1489 PWs) bands (ev): -41.8118 -41.8118 -18.8342 -18.8342 -18.2453 -18.2453 -18.0763 -18.0763 7.6530 7.6530 10.3491 10.3491 11.8630 11.8630 16.9803 16.9803 17.8018 17.8018 19.1014 19.1014 20.5716 20.5716 k =-0.3794 0.3423 0.5760 ( 1489 PWs) bands (ev): -41.8117 -41.8117 -18.8347 -18.8347 -18.2453 -18.2453 -18.0760 -18.0760 7.6431 7.6431 10.3637 10.3637 11.8527 11.8527 17.0123 17.0123 17.7800 17.7800 19.1004 19.1004 20.5492 20.5492 k =-0.3842 0.3467 0.5695 ( 1482 PWs) bands (ev): -41.8116 -41.8116 -18.8351 -18.8351 -18.2454 -18.2454 -18.0757 -18.0757 7.6348 7.6348 10.3758 10.3758 11.8442 11.8442 17.0392 17.0392 17.7617 17.7617 19.0998 19.0998 20.5295 20.5295 k =-0.3891 0.3511 0.5630 ( 1482 PWs) bands (ev): -41.8116 -41.8116 -18.8354 -18.8354 -18.2454 -18.2454 -18.0755 -18.0755 7.6284 7.6284 10.3853 10.3853 11.8376 11.8376 17.0606 17.0606 17.7473 17.7473 19.0996 19.0996 20.5134 20.5134 k =-0.3939 0.3554 0.5565 ( 1482 PWs) bands (ev): -41.8115 -41.8115 -18.8356 -18.8356 -18.2454 -18.2454 -18.0754 -18.0754 7.6237 7.6237 10.3921 10.3921 11.8328 11.8328 17.0761 17.0761 17.7368 17.7368 19.0995 19.0995 20.5015 20.5015 k =-0.3987 0.3598 0.5500 ( 1480 PWs) bands (ev): -41.8115 -41.8115 -18.8358 -18.8358 -18.2453 -18.2453 -18.0753 -18.0753 7.6210 7.6210 10.3962 10.3962 11.8299 11.8299 17.0855 17.0855 17.7305 17.7305 19.0994 19.0994 20.4942 20.4942 k =-0.4035 0.3641 0.5435 ( 1482 PWs) bands (ev): -41.8115 -41.8115 -18.8358 -18.8358 -18.2452 -18.2452 -18.0754 -18.0754 7.6200 7.6200 10.3975 10.3975 11.8290 11.8290 17.0886 17.0886 17.7285 17.7285 19.0994 19.0994 20.4917 20.4917 k =-0.4035 0.3641 0.5435 ( 1482 PWs) bands (ev): -41.8115 -41.8115 -18.8358 -18.8358 -18.2452 -18.2452 -18.0754 -18.0754 7.6200 7.6200 10.3975 10.3975 11.8290 11.8290 17.0886 17.0886 17.7285 17.7285 19.0994 19.0994 20.4917 20.4917 k =-0.3987 0.3598 0.5370 ( 1482 PWs) bands (ev): -41.8124 -41.8124 -18.8332 -18.8332 -18.2445 -18.2445 -18.0747 -18.0747 7.6326 7.6326 10.3644 10.3644 11.8768 11.8768 17.0235 17.0235 17.6951 17.6951 19.1921 19.1921 20.3603 20.3603 k =-0.3939 0.3554 0.5306 ( 1482 PWs) bands (ev): -41.8133 -41.8133 -18.8306 -18.8306 -18.2437 -18.2437 -18.0736 -18.0736 7.6443 7.6443 10.3315 10.3315 11.9262 11.9262 16.9587 16.9587 17.6604 17.6604 19.2873 19.2873 20.2326 20.2326 k =-0.3891 0.3511 0.5241 ( 1482 PWs) bands (ev): -41.8143 -41.8143 -18.8279 -18.8279 -18.2429 -18.2429 -18.0723 -18.0723 7.6550 7.6550 10.2988 10.2988 11.9769 11.9769 16.8943 16.8943 17.6243 17.6243 19.3846 19.3846 20.1089 20.1089 k =-0.3843 0.3468 0.5176 ( 1482 PWs) bands (ev): -41.8153 -41.8153 -18.8252 -18.8252 -18.2420 -18.2420 -18.0707 -18.0707 7.6643 7.6643 10.2665 10.2665 12.0288 12.0288 16.8306 16.8306 17.5869 17.5869 19.4839 19.4839 19.9894 19.9894 k =-0.3795 0.3424 0.5112 ( 1482 PWs) bands (ev): -41.8164 -41.8164 -18.8225 -18.8225 -18.2410 -18.2410 -18.0688 -18.0688 7.6722 7.6722 10.2348 10.2348 12.0820 12.0820 16.7677 16.7677 17.5482 17.5482 19.5849 19.5849 19.8744 19.8744 k =-0.3747 0.3381 0.5047 ( 1482 PWs) bands (ev): -41.8176 -41.8176 -18.8198 -18.8198 -18.2399 -18.2399 -18.0665 -18.0665 7.6785 7.6785 10.2038 10.2038 12.1361 12.1361 16.7057 16.7057 17.5083 17.5083 19.6873 19.6873 19.7641 19.7641 k =-0.3699 0.3338 0.4982 ( 1480 PWs) bands (ev): -41.8188 -41.8188 -18.8171 -18.8171 -18.2386 -18.2386 -18.0640 -18.0640 7.6828 7.6828 10.1737 10.1737 12.1912 12.1912 16.6448 16.6448 17.4673 17.4673 19.6584 19.6584 19.7911 19.7911 k =-0.3651 0.3294 0.4918 ( 1480 PWs) bands (ev): -41.8201 -41.8201 -18.8144 -18.8144 -18.2372 -18.2372 -18.0612 -18.0612 7.6851 7.6851 10.1446 10.1446 12.2472 12.2472 16.5850 16.5850 17.4251 17.4251 19.5577 19.5577 19.8959 19.8959 k =-0.3603 0.3251 0.4853 ( 1478 PWs) bands (ev): -41.8215 -41.8215 -18.8117 -18.8117 -18.2357 -18.2357 -18.0581 -18.0581 7.6852 7.6852 10.1165 10.1165 12.3039 12.3039 16.5266 16.5266 17.3818 17.3818 19.4619 19.4619 20.0014 20.0014 k =-0.3555 0.3208 0.4788 ( 1478 PWs) bands (ev): -41.8229 -41.8229 -18.8089 -18.8089 -18.2339 -18.2339 -18.0547 -18.0547 7.6828 7.6828 10.0897 10.0897 12.3613 12.3613 16.4696 16.4696 17.3374 17.3374 19.3710 19.3710 20.1075 20.1075 k =-0.3507 0.3164 0.4723 ( 1476 PWs) bands (ev): -41.8244 -41.8244 -18.8062 -18.8062 -18.2319 -18.2319 -18.0510 -18.0510 7.6777 7.6777 10.0642 10.0642 12.4193 12.4193 16.4140 16.4140 17.2921 17.2921 19.2851 19.2851 20.2139 20.2139 k =-0.3459 0.3121 0.4659 ( 1468 PWs) bands (ev): -41.8260 -41.8260 -18.8034 -18.8034 -18.2297 -18.2297 -18.0471 -18.0471 7.6698 7.6698 10.0402 10.0402 12.4779 12.4779 16.3600 16.3600 17.2458 17.2458 19.2041 19.2041 20.3203 20.3203 k =-0.3411 0.3078 0.4594 ( 1472 PWs) bands (ev): -41.8277 -41.8277 -18.8006 -18.8006 -18.2272 -18.2272 -18.0430 -18.0430 7.6589 7.6589 10.0176 10.0176 12.5369 12.5369 16.3077 16.3077 17.1986 17.1986 19.1278 19.1278 20.4265 20.4265 k =-0.3363 0.3034 0.4529 ( 1472 PWs) bands (ev): -41.8294 -41.8294 -18.7978 -18.7978 -18.2245 -18.2245 -18.0386 -18.0386 7.6449 7.6449 9.9968 9.9968 12.5964 12.5964 16.2571 16.2571 17.1505 17.1505 19.0561 19.0561 20.5322 20.5322 k =-0.3315 0.2991 0.4465 ( 1472 PWs) bands (ev): -41.8312 -41.8312 -18.7949 -18.7949 -18.2215 -18.2215 -18.0340 -18.0340 7.6276 7.6276 9.9777 9.9777 12.6563 12.6563 16.2082 16.2082 17.1016 17.1016 18.9889 18.9889 20.6370 20.6370 k =-0.3267 0.2948 0.4400 ( 1472 PWs) bands (ev): -41.8330 -41.8330 -18.7919 -18.7919 -18.2182 -18.2182 -18.0292 -18.0292 7.6069 7.6069 9.9604 9.9604 12.7166 12.7166 16.1611 16.1611 17.0519 17.0519 18.9259 18.9259 20.7407 20.7407 k =-0.3219 0.2904 0.4335 ( 1468 PWs) bands (ev): -41.8350 -41.8350 -18.7889 -18.7889 -18.2146 -18.2146 -18.0242 -18.0242 7.5827 7.5827 9.9450 9.9450 12.7773 12.7773 16.1159 16.1159 17.0016 17.0016 18.8668 18.8668 20.8431 20.8431 k =-0.3171 0.2861 0.4270 ( 1468 PWs) bands (ev): -41.8370 -41.8370 -18.7858 -18.7858 -18.2107 -18.2107 -18.0190 -18.0190 7.5550 7.5550 9.9316 9.9316 12.8384 12.8384 16.0726 16.0726 16.9505 16.9505 18.8112 18.8112 20.9436 20.9436 k =-0.3122 0.2818 0.4206 ( 1470 PWs) bands (ev): -41.8391 -41.8391 -18.7826 -18.7826 -18.2066 -18.2066 -18.0137 -18.0137 7.5235 7.5235 9.9203 9.9203 12.9000 12.9000 16.0313 16.0313 16.8989 16.8989 18.7589 18.7589 21.0421 21.0421 k =-0.3074 0.2774 0.4141 ( 1474 PWs) bands (ev): -41.8412 -41.8412 -18.7793 -18.7793 -18.2021 -18.2021 -18.0082 -18.0082 7.4884 7.4884 9.9111 9.9111 12.9619 12.9619 15.9919 15.9919 16.8467 16.8467 18.7094 18.7094 21.1381 21.1381 k =-0.3026 0.2731 0.4076 ( 1470 PWs) bands (ev): -41.8435 -41.8435 -18.7758 -18.7758 -18.1973 -18.1973 -18.0026 -18.0026 7.4496 7.4496 9.9042 9.9042 13.0244 13.0244 15.9546 15.9546 16.7940 16.7940 18.6624 18.6624 21.2312 21.2312 k =-0.2978 0.2688 0.4012 ( 1470 PWs) bands (ev): -41.8458 -41.8458 -18.7722 -18.7722 -18.1923 -18.1923 -17.9968 -17.9968 7.4071 7.4071 9.8995 9.8995 13.0873 13.0873 15.9193 15.9193 16.7409 16.7409 18.6174 18.6174 21.3211 21.3211 k =-0.2930 0.2644 0.3947 ( 1478 PWs) bands (ev): -41.8481 -41.8481 -18.7684 -18.7684 -18.1869 -18.1869 -17.9909 -17.9909 7.3609 7.3609 9.8972 9.8972 13.1508 13.1508 15.8860 15.8860 16.6873 16.6873 18.5741 18.5741 21.4073 21.4073 k =-0.2882 0.2601 0.3882 ( 1478 PWs) bands (ev): -41.8506 -41.8506 -18.7644 -18.7644 -18.1813 -18.1813 -17.9850 -17.9850 7.3111 7.3111 9.8972 9.8972 13.2148 13.2148 15.8548 15.8548 16.6335 16.6335 18.5319 18.5319 21.4893 21.4893 k =-0.2834 0.2557 0.3818 ( 1478 PWs) bands (ev): -41.8531 -41.8531 -18.7603 -18.7603 -18.1754 -18.1754 -17.9789 -17.9789 7.2578 7.2578 9.8998 9.8998 13.2793 13.2793 15.8256 15.8256 16.5793 16.5793 18.4906 18.4906 21.5668 21.5668 k =-0.2786 0.2514 0.3753 ( 1474 PWs) bands (ev): -41.8557 -41.8557 -18.7559 -18.7559 -18.1693 -18.1693 -17.9727 -17.9727 7.2010 7.2010 9.9048 9.9048 13.3444 13.3444 15.7986 15.7986 16.5249 16.5249 18.4497 18.4497 21.6393 21.6393 k =-0.2738 0.2471 0.3688 ( 1474 PWs) bands (ev): -41.8583 -41.8583 -18.7513 -18.7513 -18.1629 -18.1629 -17.9665 -17.9665 7.1408 7.1408 9.9124 9.9124 13.4101 13.4101 15.7736 15.7736 16.4703 16.4703 18.4089 18.4089 21.7062 21.7062 k =-0.2690 0.2427 0.3623 ( 1478 PWs) bands (ev): -41.8610 -41.8610 -18.7465 -18.7465 -18.1563 -18.1563 -17.9602 -17.9602 7.0775 7.0775 9.9226 9.9226 13.4764 13.4764 15.7507 15.7507 16.4156 16.4156 18.3678 18.3678 21.7671 21.7671 k =-0.2642 0.2384 0.3559 ( 1474 PWs) bands (ev): -41.8638 -41.8638 -18.7414 -18.7414 -18.1494 -18.1494 -17.9538 -17.9538 7.0110 7.0110 9.9355 9.9355 13.5432 13.5432 15.7300 15.7300 16.3609 16.3609 18.3263 18.3263 21.8214 21.8214 k =-0.2594 0.2341 0.3494 ( 1474 PWs) bands (ev): -41.8667 -41.8667 -18.7360 -18.7360 -18.1424 -18.1424 -17.9474 -17.9474 6.9417 6.9417 9.9510 9.9510 13.6105 13.6105 15.7112 15.7112 16.3061 16.3061 18.2841 18.2841 21.8687 21.8687 k =-0.2546 0.2297 0.3429 ( 1474 PWs) bands (ev): -41.8696 -41.8696 -18.7305 -18.7305 -18.1351 -18.1351 -17.9410 -17.9410 6.8696 6.8696 9.9693 9.9693 13.6783 13.6783 15.6946 15.6946 16.2513 16.2513 18.2410 18.2410 21.9086 21.9086 k =-0.2498 0.2254 0.3365 ( 1476 PWs) bands (ev): -41.8725 -41.8725 -18.7246 -18.7246 -18.1276 -18.1276 -17.9346 -17.9346 6.7949 6.7949 9.9904 9.9904 13.7466 13.7466 15.6800 15.6800 16.1966 16.1966 18.1969 18.1969 21.9404 21.9404 k =-0.2450 0.2211 0.3300 ( 1476 PWs) bands (ev): -41.8755 -41.8755 -18.7185 -18.7185 -18.1199 -18.1199 -17.9281 -17.9281 6.7178 6.7178 10.0142 10.0142 13.8152 13.8152 15.6675 15.6675 16.1421 16.1421 18.1518 18.1518 21.9638 21.9638 k =-0.2402 0.2167 0.3235 ( 1476 PWs) bands (ev): -41.8786 -41.8786 -18.7121 -18.7121 -18.1121 -18.1121 -17.9216 -17.9216 6.6385 6.6385 10.0409 10.0409 13.8840 13.8840 15.6570 15.6570 16.0877 16.0877 18.1055 18.1055 21.9784 21.9784 k =-0.2354 0.2124 0.3171 ( 1476 PWs) bands (ev): -41.8817 -41.8817 -18.7055 -18.7055 -18.1041 -18.1041 -17.9151 -17.9151 6.5572 6.5572 10.0704 10.0704 13.9531 13.9531 15.6485 15.6485 16.0336 16.0336 18.0580 18.0580 21.9839 21.9839 k =-0.2306 0.2081 0.3106 ( 1480 PWs) bands (ev): -41.8849 -41.8849 -18.6986 -18.6986 -18.0959 -18.0959 -17.9086 -17.9086 6.4741 6.4741 10.1029 10.1029 14.0221 14.0221 15.6419 15.6419 15.9798 15.9798 18.0096 18.0096 21.9799 21.9799 k =-0.2258 0.2037 0.3041 ( 1480 PWs) bands (ev): -41.8881 -41.8881 -18.6914 -18.6914 -18.0876 -18.0876 -17.9022 -17.9022 6.3893 6.3893 10.1382 10.1382 14.0912 14.0912 15.6373 15.6373 15.9263 15.9263 17.9602 17.9602 21.9662 21.9662 k =-0.2210 0.1994 0.2976 ( 1480 PWs) bands (ev): -41.8913 -41.8913 -18.6841 -18.6841 -18.0792 -18.0792 -17.8958 -17.8958 6.3032 6.3032 10.1765 10.1765 14.1600 14.1600 15.6346 15.6346 15.8733 15.8733 17.9099 17.9099 21.9427 21.9427 k =-0.2162 0.1951 0.2912 ( 1480 PWs) bands (ev): -41.8946 -41.8946 -18.6764 -18.6764 -18.0706 -18.0706 -17.8893 -17.8893 6.2158 6.2158 10.2177 10.2177 14.2284 14.2284 15.6337 15.6337 15.8207 15.8207 17.8589 17.8589 21.9093 21.9093 k =-0.2114 0.1907 0.2847 ( 1482 PWs) bands (ev): -41.8979 -41.8979 -18.6686 -18.6686 -18.0619 -18.0619 -17.8830 -17.8830 6.1273 6.1273 10.2618 10.2618 14.2964 14.2964 15.6346 15.6346 15.7686 15.7686 17.8075 17.8075 21.8661 21.8661 k =-0.2066 0.1864 0.2782 ( 1476 PWs) bands (ev): -41.9012 -41.9012 -18.6605 -18.6605 -18.0531 -18.0531 -17.8767 -17.8767 6.0381 6.0381 10.3090 10.3090 14.3636 14.3636 15.6371 15.6371 15.7173 15.7173 17.7557 17.7557 21.8130 21.8130 k =-0.2018 0.1821 0.2718 ( 1476 PWs) bands (ev): -41.9045 -41.9045 -18.6523 -18.6523 -18.0442 -18.0442 -17.8704 -17.8704 5.9482 5.9482 10.3591 10.3591 14.4299 14.4299 15.6397 15.6397 15.6681 15.6681 17.7039 17.7039 21.7504 21.7504 k =-0.1970 0.1777 0.2653 ( 1478 PWs) bands (ev): -41.9079 -41.9079 -18.6439 -18.6439 -18.0351 -18.0351 -17.8642 -17.8642 5.8578 5.8578 10.4123 10.4123 14.4951 14.4951 15.6127 15.6127 15.6509 15.6509 17.6523 17.6523 21.6784 21.6784 k =-0.1922 0.1734 0.2588 ( 1478 PWs) bands (ev): -41.9113 -41.9113 -18.6353 -18.6353 -18.0260 -18.0260 -17.8581 -17.8581 5.7671 5.7671 10.4684 10.4684 14.5589 14.5589 15.5641 15.5641 15.6576 15.6576 17.6010 17.6010 21.5973 21.5973 k =-0.1873 0.1691 0.2523 ( 1478 PWs) bands (ev): -41.9146 -41.9146 -18.6266 -18.6266 -18.0168 -18.0168 -17.8520 -17.8520 5.6764 5.6764 10.5276 10.5276 14.6212 14.6212 15.5152 15.5152 15.6667 15.6667 17.5505 17.5505 21.5075 21.5075 k =-0.1825 0.1647 0.2459 ( 1478 PWs) bands (ev): -41.9180 -41.9180 -18.6177 -18.6177 -18.0075 -18.0075 -17.8461 -17.8461 5.5857 5.5857 10.5897 10.5897 14.6817 14.6817 15.4669 15.4669 15.6776 15.6776 17.5010 17.5010 21.4094 21.4094 k =-0.1777 0.1604 0.2394 ( 1474 PWs) bands (ev): -41.9214 -41.9214 -18.6088 -18.6088 -17.9981 -17.9981 -17.8402 -17.8402 5.4953 5.4953 10.6549 10.6549 14.7400 14.7400 15.4194 15.4194 15.6900 15.6900 17.4527 17.4527 21.3034 21.3034 k =-0.1729 0.1560 0.2329 ( 1474 PWs) bands (ev): -41.9248 -41.9248 -18.5998 -18.5998 -17.9887 -17.9887 -17.8344 -17.8344 5.4052 5.4052 10.7231 10.7231 14.7961 14.7961 15.3726 15.3726 15.7039 15.7039 17.4060 17.4060 21.1900 21.1900 k =-0.1681 0.1517 0.2265 ( 1474 PWs) bands (ev): -41.9281 -41.9281 -18.5908 -18.5908 -17.9792 -17.9792 -17.8287 -17.8287 5.3158 5.3158 10.7943 10.7943 14.8496 14.8496 15.3267 15.3267 15.7190 15.7190 17.3612 17.3612 21.0697 21.0697 k =-0.1633 0.1474 0.2200 ( 1470 PWs) bands (ev): -41.9315 -41.9315 -18.5817 -18.5817 -17.9697 -17.9697 -17.8231 -17.8231 5.2271 5.2271 10.8685 10.8685 14.9001 14.9001 15.2817 15.2817 15.7354 15.7354 17.3185 17.3185 20.9430 20.9430 k =-0.1585 0.1430 0.2135 ( 1470 PWs) bands (ev): -41.9348 -41.9348 -18.5727 -18.5727 -17.9601 -17.9601 -17.8176 -17.8176 5.1392 5.1392 10.9457 10.9457 14.9475 14.9475 15.2377 15.2377 15.7530 15.7530 17.2783 17.2783 20.8102 20.8102 k =-0.1537 0.1387 0.2071 ( 1470 PWs) bands (ev): -41.9381 -41.9381 -18.5636 -18.5636 -17.9505 -17.9505 -17.8123 -17.8123 5.0524 5.0524 11.0258 11.0258 14.9914 14.9914 15.1948 15.1948 15.7717 15.7717 17.2409 17.2409 20.6720 20.6720 k =-0.1489 0.1344 0.2006 ( 1470 PWs) bands (ev): -41.9414 -41.9414 -18.5547 -18.5547 -17.9409 -17.9409 -17.8070 -17.8070 4.9667 4.9667 11.1089 11.1089 15.0313 15.0313 15.1532 15.1532 15.7913 15.7913 17.2064 17.2064 20.5287 20.5287 k =-0.1441 0.1300 0.1941 ( 1470 PWs) bands (ev): -41.9446 -41.9446 -18.5457 -18.5457 -17.9313 -17.9313 -17.8019 -17.8019 4.8823 4.8823 11.1950 11.1950 15.0653 15.0653 15.1148 15.1148 15.8119 15.8119 17.1752 17.1752 20.3808 20.3808 k =-0.1393 0.1257 0.1876 ( 1470 PWs) bands (ev): -41.9478 -41.9478 -18.5369 -18.5369 -17.9217 -17.9217 -17.7969 -17.7969 4.7994 4.7994 11.2840 11.2840 15.0649 15.0649 15.1077 15.1077 15.8333 15.8333 17.1474 17.1474 20.2287 20.2287 k =-0.1345 0.1214 0.1812 ( 1470 PWs) bands (ev): -41.9509 -41.9509 -18.5283 -18.5283 -17.9121 -17.9121 -17.7920 -17.7920 4.7180 4.7180 11.3759 11.3759 15.0291 15.0291 15.1330 15.1330 15.8554 15.8554 17.1232 17.1232 20.0730 20.0730 k =-0.1297 0.1170 0.1747 ( 1470 PWs) bands (ev): -41.9540 -41.9540 -18.5197 -18.5197 -17.9026 -17.9026 -17.7873 -17.7873 4.6383 4.6383 11.4706 11.4706 14.9919 14.9919 15.1567 15.1567 15.8781 15.8781 17.1027 17.1027 19.9139 19.9139 k =-0.1249 0.1127 0.1682 ( 1470 PWs) bands (ev): -41.9570 -41.9570 -18.5114 -18.5114 -17.8931 -17.8931 -17.7827 -17.7827 4.5605 4.5605 11.5682 11.5682 14.9554 14.9554 15.1766 15.1766 15.9013 15.9013 17.0859 17.0859 19.7518 19.7518 k =-0.1201 0.1084 0.1618 ( 1466 PWs) bands (ev): -41.9599 -41.9599 -18.5032 -18.5032 -17.8837 -17.8837 -17.7782 -17.7782 4.4846 4.4846 11.6686 11.6686 14.9199 14.9199 15.1925 15.1925 15.9249 15.9249 17.0728 17.0728 19.5871 19.5871 k =-0.1153 0.1040 0.1553 ( 1466 PWs) bands (ev): -41.9628 -41.9628 -18.4952 -18.4952 -17.8744 -17.8744 -17.7739 -17.7739 4.4107 4.4107 11.7717 11.7717 14.8856 14.8856 15.2044 15.2044 15.9489 15.9489 17.0632 17.0632 19.4202 19.4202 k =-0.1105 0.0997 0.1488 ( 1464 PWs) bands (ev): -41.9656 -41.9656 -18.4875 -18.4875 -17.8653 -17.8653 -17.7697 -17.7697 4.3389 4.3389 11.8776 11.8776 14.8524 14.8524 15.2126 15.2126 15.9730 15.9730 17.0570 17.0570 19.2513 19.2513 k =-0.1057 0.0954 0.1423 ( 1460 PWs) bands (ev): -41.9684 -41.9684 -18.4800 -18.4800 -17.8563 -17.8563 -17.7657 -17.7657 4.2695 4.2695 11.9861 11.9861 14.8205 14.8205 15.2172 15.2172 15.9973 15.9973 17.0540 17.0540 19.0809 19.0809 k =-0.1009 0.0910 0.1359 ( 1456 PWs) bands (ev): -41.9710 -41.9710 -18.4727 -18.4727 -17.8475 -17.8475 -17.7618 -17.7618 4.2023 4.2023 12.0972 12.0972 14.7898 14.7898 15.2186 15.2186 16.0215 16.0215 17.0539 17.0539 18.9091 18.9091 k =-0.0961 0.0867 0.1294 ( 1459 PWs) bands (ev): -41.9736 -41.9736 -18.4657 -18.4657 -17.8388 -17.8388 -17.7580 -17.7580 4.1377 4.1377 12.2109 12.2109 14.7603 14.7603 15.2170 15.2170 16.0455 16.0455 17.0563 17.0563 18.7363 18.7363 k =-0.0913 0.0824 0.1229 ( 1467 PWs) bands (ev): -41.9760 -41.9760 -18.4590 -18.4590 -17.8304 -17.8304 -17.7544 -17.7544 4.0756 4.0756 12.3270 12.3270 14.7322 14.7322 15.2129 15.2129 16.0694 16.0694 17.0609 17.0609 18.5628 18.5628 k =-0.0865 0.0780 0.1165 ( 1471 PWs) bands (ev): -41.9784 -41.9784 -18.4526 -18.4526 -17.8223 -17.8223 -17.7509 -17.7509 4.0161 4.0161 12.4456 12.4456 14.7054 14.7054 15.2066 15.2066 16.0928 16.0928 17.0674 17.0674 18.3888 18.3888 k =-0.0817 0.0737 0.1100 ( 1471 PWs) bands (ev): -41.9806 -41.9806 -18.4466 -18.4466 -17.8144 -17.8144 -17.7476 -17.7476 3.9593 3.9593 12.5664 12.5664 14.6800 14.6800 15.1986 15.1986 16.1158 16.1158 17.0754 17.0754 18.2147 18.2147 k =-0.0769 0.0694 0.1035 ( 1471 PWs) bands (ev): -41.9828 -41.9828 -18.4408 -18.4408 -17.8069 -17.8069 -17.7444 -17.7444 3.9053 3.9053 12.6893 12.6893 14.6559 14.6559 15.1891 15.1891 16.1382 16.1382 17.0846 17.0846 18.0406 18.0406 k =-0.0721 0.0650 0.0971 ( 1471 PWs) bands (ev): -41.9848 -41.9848 -18.4353 -18.4353 -17.7997 -17.7997 -17.7414 -17.7414 3.8543 3.8543 12.8143 12.8143 14.6332 14.6332 15.1786 15.1786 16.1599 16.1599 17.0946 17.0946 17.8670 17.8670 k =-0.0673 0.0607 0.0906 ( 1471 PWs) bands (ev): -41.9868 -41.9868 -18.4302 -18.4302 -17.7929 -17.7929 -17.7384 -17.7384 3.8061 3.8061 12.9412 12.9412 14.6119 14.6119 15.1673 15.1673 16.1808 16.1808 17.1052 17.1052 17.6941 17.6941 k =-0.0624 0.0564 0.0841 ( 1471 PWs) bands (ev): -41.9886 -41.9886 -18.4254 -18.4254 -17.7865 -17.7865 -17.7357 -17.7357 3.7610 3.7610 13.0697 13.0697 14.5920 14.5920 15.1556 15.1556 16.2007 16.2007 17.1160 17.1160 17.5222 17.5222 k =-0.0576 0.0520 0.0776 ( 1467 PWs) bands (ev): -41.9903 -41.9903 -18.4210 -18.4210 -17.7805 -17.7805 -17.7330 -17.7330 3.7190 3.7190 13.1996 13.1996 14.5735 14.5735 15.1438 15.1438 16.2197 16.2197 17.1268 17.1268 17.3519 17.3519 k =-0.0528 0.0477 0.0712 ( 1471 PWs) bands (ev): -41.9919 -41.9919 -18.4168 -18.4168 -17.7749 -17.7749 -17.7305 -17.7305 3.6801 3.6801 13.3306 13.3306 14.5564 14.5564 15.1320 15.1320 16.2375 16.2375 17.1356 17.1356 17.1850 17.1850 k =-0.0480 0.0433 0.0647 ( 1471 PWs) bands (ev): -41.9933 -41.9933 -18.4131 -18.4131 -17.7699 -17.7699 -17.7281 -17.7281 3.6444 3.6444 13.4622 13.4622 14.5408 14.5408 15.1206 15.1206 16.2542 16.2542 17.0154 17.0154 17.1493 17.1493 k =-0.0432 0.0390 0.0582 ( 1471 PWs) bands (ev): -41.9946 -41.9946 -18.4097 -18.4097 -17.7653 -17.7653 -17.7259 -17.7259 3.6119 3.6119 13.5940 13.5940 14.5267 14.5267 15.1097 15.1097 16.2695 16.2695 16.8524 16.8524 17.1587 17.1587 k =-0.0384 0.0347 0.0518 ( 1471 PWs) bands (ev): -41.9958 -41.9958 -18.4066 -18.4066 -17.7612 -17.7612 -17.7238 -17.7238 3.5828 3.5828 13.7251 13.7251 14.5140 14.5140 15.0996 15.0996 16.2835 16.2835 16.6928 16.6928 17.1677 17.1677 k =-0.0336 0.0303 0.0453 ( 1471 PWs) bands (ev): -41.9969 -41.9969 -18.4039 -18.4039 -17.7577 -17.7577 -17.7219 -17.7219 3.5569 3.5569 13.8545 13.8545 14.5028 14.5028 15.0903 15.0903 16.2959 16.2959 16.5381 16.5381 17.1760 17.1760 k =-0.0288 0.0260 0.0388 ( 1475 PWs) bands (ev): -41.9978 -41.9978 -18.4016 -18.4016 -17.7546 -17.7546 -17.7202 -17.7202 3.5345 3.5345 13.9808 13.9808 14.4931 14.4931 15.0819 15.0819 16.3068 16.3068 16.3899 16.3899 17.1834 17.1834 k =-0.0240 0.0217 0.0324 ( 1477 PWs) bands (ev): -41.9985 -41.9985 -18.3996 -18.3996 -17.7520 -17.7520 -17.7187 -17.7187 3.5154 3.5154 14.1018 14.1018 14.4848 14.4848 15.0747 15.0747 16.2496 16.2496 16.3167 16.3167 17.1898 17.1898 k =-0.0192 0.0173 0.0259 ( 1479 PWs) bands (ev): -41.9992 -41.9992 -18.3980 -18.3980 -17.7500 -17.7500 -17.7174 -17.7174 3.4998 3.4998 14.2143 14.2143 14.4782 14.4782 15.0687 15.0687 16.1218 16.1218 16.3243 16.3243 17.1952 17.1952 k =-0.0144 0.0130 0.0194 ( 1479 PWs) bands (ev): -41.9997 -41.9997 -18.3967 -18.3967 -17.7484 -17.7484 -17.7164 -17.7164 3.4876 3.4876 14.3138 14.3138 14.4731 14.4731 15.0640 15.0640 16.0103 16.0103 16.3303 16.3303 17.1994 17.1994 k =-0.0096 0.0087 0.0129 ( 1483 PWs) bands (ev): -42.0000 -42.0000 -18.3958 -18.3958 -17.7473 -17.7473 -17.7156 -17.7156 3.4789 3.4789 14.3935 14.3935 14.4697 14.4697 15.0606 15.0606 15.9215 15.9215 16.3347 16.3347 17.2024 17.2024 k =-0.0048 0.0043 0.0065 ( 1483 PWs) bands (ev): -42.0002 -42.0002 -18.3953 -18.3953 -17.7466 -17.7466 -17.7152 -17.7152 3.4737 3.4737 14.4444 14.4444 14.4695 14.4695 15.0585 15.0585 15.8633 15.8633 16.3373 16.3373 17.2042 17.2042 k = 0.0000 0.0000 0.0000 ( 1487 PWs) bands (ev): -42.0003 -42.0003 -18.3951 -18.3951 -17.7464 -17.7464 -17.7150 -17.7150 3.4719 3.4719 14.4579 14.4579 14.4739 14.4739 15.0578 15.0578 15.8429 15.8429 16.3382 16.3382 17.2049 17.2049 k = 0.0000 0.0000 0.0000 ( 1487 PWs) bands (ev): -42.0003 -42.0003 -18.3951 -18.3951 -17.7464 -17.7464 -17.7150 -17.7150 3.4719 3.4719 14.4579 14.4579 14.4739 14.4739 15.0578 15.0578 15.8429 15.8429 16.3382 16.3382 17.2049 17.2049 k = 0.0062 0.0068-0.0000 ( 1479 PWs) bands (ev): -42.0002 -42.0002 -18.3953 -18.3953 -17.7465 -17.7465 -17.7153 -17.7153 3.4737 3.4737 14.4586 14.4586 14.4746 14.4746 15.0201 15.0201 15.8814 15.8814 16.3387 16.3387 17.2041 17.2041 k = 0.0123 0.0137-0.0000 ( 1479 PWs) bands (ev): -42.0000 -42.0000 -18.3958 -18.3958 -17.7468 -17.7468 -17.7160 -17.7160 3.4789 3.4789 14.4605 14.4605 14.4765 14.4765 14.9234 14.9234 15.9807 15.9807 16.3405 16.3405 17.2019 17.2019 k = 0.0185 0.0205-0.0000 ( 1471 PWs) bands (ev): -41.9996 -41.9996 -18.3967 -18.3967 -17.7475 -17.7475 -17.7173 -17.7173 3.4876 3.4876 14.4637 14.4637 14.4796 14.4796 14.7939 14.7939 16.1143 16.1143 16.3434 16.3434 17.1981 17.1981 k = 0.0247 0.0274-0.0000 ( 1471 PWs) bands (ev): -41.9991 -41.9991 -18.3978 -18.3978 -17.7483 -17.7483 -17.7191 -17.7191 3.4997 3.4997 14.4682 14.4682 14.4839 14.4839 14.6481 14.6481 16.2653 16.2653 16.3480 16.3480 17.1929 17.1929 k = 0.0309 0.0342-0.0000 ( 1471 PWs) bands (ev): -41.9985 -41.9985 -18.3994 -18.3994 -17.7494 -17.7494 -17.7215 -17.7215 3.5153 3.5153 14.4739 14.4739 14.4825 14.4825 14.5012 14.5012 16.3504 16.3504 16.4297 16.4297 17.1860 17.1860 k = 0.0370 0.0410-0.0000 ( 1471 PWs) bands (ev): -41.9977 -41.9977 -18.4012 -18.4012 -17.7507 -17.7507 -17.7243 -17.7243 3.5343 3.5343 14.3342 14.3342 14.4810 14.4810 14.4979 14.4979 16.3573 16.3573 16.5965 16.5965 17.1776 17.1776 k = 0.0432 0.0479-0.0000 ( 1471 PWs) bands (ev): -41.9967 -41.9967 -18.4034 -18.4034 -17.7523 -17.7523 -17.7276 -17.7276 3.5568 3.5568 14.1738 14.1738 14.4894 14.4894 14.5061 14.5061 16.3646 16.3646 16.7677 16.7677 17.1675 17.1675 k = 0.0494 0.0547-0.0000 ( 1471 PWs) bands (ev): -41.9956 -41.9956 -18.4060 -18.4060 -17.7541 -17.7541 -17.7314 -17.7314 3.5826 3.5826 14.0122 14.0122 14.4991 14.4991 14.5158 14.5158 16.3729 16.3729 16.9415 16.9415 17.1557 17.1557 k = 0.0556 0.0616-0.0000 ( 1471 PWs) bands (ev): -41.9944 -41.9944 -18.4088 -18.4088 -17.7561 -17.7561 -17.7356 -17.7356 3.6119 3.6119 13.8504 13.8504 14.5100 14.5100 14.5268 14.5268 16.3822 16.3822 17.1170 17.1170 17.1421 17.1421 k = 0.0617 0.0684-0.0000 ( 1471 PWs) bands (ev): -41.9930 -41.9930 -18.4120 -18.4120 -17.7584 -17.7584 -17.7404 -17.7404 3.6445 3.6445 13.6890 13.6890 14.5223 14.5223 14.5392 14.5392 16.3925 16.3925 17.1267 17.1267 17.2937 17.2937 k = 0.0679 0.0753-0.0000 ( 1471 PWs) bands (ev): -41.9915 -41.9915 -18.4155 -18.4155 -17.7609 -17.7609 -17.7455 -17.7455 3.6804 3.6804 13.5282 13.5282 14.5359 14.5359 14.5529 14.5529 16.4039 16.4039 17.1093 17.1093 17.4712 17.4712 k = 0.0741 0.0821-0.0000 ( 1475 PWs) bands (ev): -41.9898 -41.9898 -18.4193 -18.4193 -17.7636 -17.7636 -17.7511 -17.7511 3.7197 3.7197 13.3682 13.3682 14.5509 14.5509 14.5680 14.5680 16.4163 16.4163 17.0900 17.0900 17.6491 17.6491 k = 0.0802 0.0889-0.0000 ( 1475 PWs) bands (ev): -41.9880 -41.9880 -18.4235 -18.4235 -17.7666 -17.7666 -17.7571 -17.7571 3.7622 3.7622 13.2094 13.2094 14.5672 14.5672 14.5844 14.5844 16.4297 16.4297 17.0686 17.0686 17.8272 17.8272 k = 0.0864 0.0958-0.0000 ( 1467 PWs) bands (ev): -41.9861 -41.9861 -18.4279 -18.4279 -17.7699 -17.7699 -17.7634 -17.7634 3.8080 3.8080 13.0518 13.0518 14.5848 14.5848 14.6022 14.6022 16.4442 16.4442 17.0449 17.0449 18.0053 18.0053 k = 0.0926 0.1026-0.0000 ( 1459 PWs) bands (ev): -41.9841 -41.9841 -18.4327 -18.4327 -17.7737 -17.7737 -17.7698 -17.7698 3.8571 3.8571 12.8956 12.8956 14.6039 14.6039 14.6214 14.6214 16.4596 16.4596 17.0190 17.0190 18.1833 18.1833 k = 0.0988 0.1095-0.0000 ( 1463 PWs) bands (ev): -41.9819 -41.9819 -18.4377 -18.4377 -17.7790 -17.7790 -17.7753 -17.7753 3.9092 3.9092 12.7409 12.7409 14.6243 14.6243 14.6420 14.6420 16.4760 16.4760 16.9907 16.9907 18.3609 18.3609 k = 0.1049 0.1163-0.0000 ( 1471 PWs) bands (ev): -41.9796 -41.9796 -18.4430 -18.4430 -17.7860 -17.7860 -17.7796 -17.7796 3.9646 3.9646 12.5877 12.5877 14.6460 14.6460 14.6640 14.6640 16.4933 16.4933 16.9600 16.9600 18.5380 18.5380 k = 0.1111 0.1231-0.0000 ( 1471 PWs) bands (ev): -41.9772 -41.9772 -18.4487 -18.4487 -17.7937 -17.7937 -17.7837 -17.7837 4.0230 4.0230 12.4361 12.4361 14.6692 14.6692 14.6873 14.6873 16.5116 16.5116 16.9267 16.9267 18.7144 18.7144 k = 0.1173 0.1300-0.0000 ( 1471 PWs) bands (ev): -41.9747 -41.9747 -18.4546 -18.4546 -17.8019 -17.8019 -17.7878 -17.7878 4.0845 4.0845 12.2861 12.2861 14.6938 14.6938 14.7121 14.7121 16.5308 16.5308 16.8908 16.8908 18.8900 18.8900 k = 0.1235 0.1368-0.0000 ( 1471 PWs) bands (ev): -41.9721 -41.9721 -18.4607 -18.4607 -17.8104 -17.8104 -17.7922 -17.7922 4.1490 4.1490 12.1380 12.1380 14.7198 14.7198 14.7384 14.7384 16.5509 16.5509 16.8521 16.8521 19.0647 19.0647 k = 0.1296 0.1437-0.0000 ( 1471 PWs) bands (ev): -41.9693 -41.9693 -18.4671 -18.4671 -17.8192 -17.8192 -17.7966 -17.7966 4.2165 4.2165 11.9916 11.9916 14.7473 14.7473 14.7661 14.7661 16.5719 16.5719 16.8107 16.8107 19.2382 19.2382 k = 0.1358 0.1505-0.0000 ( 1467 PWs) bands (ev): -41.9665 -41.9665 -18.4738 -18.4738 -17.8283 -17.8283 -17.8013 -17.8013 4.2869 4.2869 11.8471 11.8471 14.7761 14.7761 14.7952 14.7952 16.5937 16.5937 16.7663 16.7663 19.4106 19.4106 k = 0.1420 0.1573-0.0000 ( 1467 PWs) bands (ev): -41.9636 -41.9636 -18.4807 -18.4807 -17.8376 -17.8376 -17.8061 -17.8061 4.3601 4.3601 11.7045 11.7045 14.8065 14.8065 14.8258 14.8258 16.6163 16.6163 16.7191 16.7191 19.5816 19.5816 k = 0.1481 0.1642-0.0000 ( 1467 PWs) bands (ev): -41.9606 -41.9606 -18.4879 -18.4879 -17.8471 -17.8471 -17.8110 -17.8110 4.4361 4.4361 11.5638 11.5638 14.8383 14.8383 14.8579 14.8579 16.6397 16.6397 16.6689 16.6689 19.7511 19.7511 k = 0.1543 0.1710-0.0000 ( 1463 PWs) bands (ev): -41.9574 -41.9574 -18.4952 -18.4952 -17.8568 -17.8568 -17.8161 -17.8161 4.5149 4.5149 11.4251 11.4251 14.8716 14.8716 14.8914 14.8914 16.6154 16.6154 16.6641 16.6641 19.9190 19.9190 k = 0.1605 0.1779-0.0000 ( 1463 PWs) bands (ev): -41.9542 -41.9542 -18.5028 -18.5028 -17.8667 -17.8667 -17.8213 -17.8213 4.5964 4.5964 11.2883 11.2883 14.9064 14.9064 14.9265 14.9265 16.5591 16.5591 16.6890 16.6890 20.0851 20.0851 k = 0.1667 0.1847-0.0000 ( 1463 PWs) bands (ev): -41.9510 -41.9510 -18.5106 -18.5106 -17.8768 -17.8768 -17.8266 -17.8266 4.6806 4.6806 11.1537 11.1537 14.9427 14.9427 14.9630 14.9630 16.4997 16.4997 16.7146 16.7146 20.2494 20.2494 k = 0.1728 0.1915-0.0000 ( 1463 PWs) bands (ev): -41.9476 -41.9476 -18.5186 -18.5186 -17.8870 -17.8870 -17.8321 -17.8321 4.7673 4.7673 11.0211 11.0211 14.9804 14.9804 15.0011 15.0011 16.4373 16.4373 16.7409 16.7409 20.4117 20.4117 k = 0.1790 0.1984-0.0000 ( 1471 PWs) bands (ev): -41.9442 -41.9442 -18.5268 -18.5268 -17.8973 -17.8973 -17.8376 -17.8376 4.8565 4.8565 10.8906 10.8906 15.0197 15.0197 15.0407 15.0407 16.3718 16.3718 16.7679 16.7679 20.5719 20.5719 k = 0.1852 0.2052-0.0000 ( 1471 PWs) bands (ev): -41.9407 -41.9407 -18.5351 -18.5351 -17.9077 -17.9077 -17.8433 -17.8433 4.9482 4.9482 10.7622 10.7622 15.0605 15.0605 15.0818 15.0818 16.3032 16.3032 16.7955 16.7955 20.7298 20.7298 k = 0.1914 0.2121-0.0000 ( 1471 PWs) bands (ev): -41.9372 -41.9372 -18.5436 -18.5436 -17.9182 -17.9182 -17.8490 -17.8490 5.0423 5.0423 10.6360 10.6360 15.1028 15.1028 15.1244 15.1244 16.2318 16.2318 16.8237 16.8237 20.8855 20.8855 k = 0.1975 0.2189-0.0000 ( 1463 PWs) bands (ev): -41.9336 -41.9336 -18.5522 -18.5522 -17.9288 -17.9288 -17.8549 -17.8549 5.1387 5.1387 10.5120 10.5120 15.1467 15.1467 15.1686 15.1686 16.1574 16.1574 16.8524 16.8524 21.0387 21.0387 k = 0.2037 0.2258-0.0000 ( 1463 PWs) bands (ev): -41.9300 -41.9300 -18.5609 -18.5609 -17.9393 -17.9393 -17.8608 -17.8608 5.2374 5.2374 10.3902 10.3902 15.1921 15.1921 15.2144 15.2144 16.0802 16.0802 16.8816 16.8816 21.1893 21.1893 k = 0.2099 0.2326-0.0000 ( 1463 PWs) bands (ev): -41.9263 -41.9263 -18.5698 -18.5698 -17.9500 -17.9500 -17.8668 -17.8668 5.3382 5.3382 10.2706 10.2706 15.2389 15.2389 15.2616 15.2616 16.0004 16.0004 16.9113 16.9113 21.3374 21.3374 k = 0.2160 0.2394-0.0000 ( 1463 PWs) bands (ev): -41.9226 -41.9226 -18.5788 -18.5788 -17.9606 -17.9606 -17.8728 -17.8728 5.4412 5.4412 10.1532 10.1532 15.2873 15.2873 15.3104 15.3104 15.9179 15.9179 16.9414 16.9414 21.4827 21.4827 k = 0.2222 0.2463-0.0000 ( 1463 PWs) bands (ev): -41.9188 -41.9188 -18.5878 -18.5878 -17.9712 -17.9712 -17.8789 -17.8789 5.5462 5.5462 10.0382 10.0382 15.3371 15.3371 15.3607 15.3607 15.8329 15.8329 16.9719 16.9719 21.6252 21.6252 k = 0.2284 0.2531-0.0000 ( 1462 PWs) bands (ev): -41.9151 -41.9151 -18.5969 -18.5969 -17.9817 -17.9817 -17.8851 -17.8851 5.6532 5.6532 9.9254 9.9254 15.3883 15.3883 15.4126 15.4126 15.7458 15.7458 17.0027 17.0027 21.7648 21.7648 k = 0.2346 0.2600-0.0000 ( 1462 PWs) bands (ev): -41.9113 -41.9113 -18.6061 -18.6061 -17.9922 -17.9922 -17.8912 -17.8912 5.7621 5.7621 9.8150 9.8150 15.4405 15.4405 15.4660 15.4660 15.6569 15.6569 17.0339 17.0339 21.9014 21.9014 k = 0.2407 0.2668-0.0000 ( 1470 PWs) bands (ev): -41.9075 -41.9075 -18.6154 -18.6154 -18.0027 -18.0027 -17.8974 -17.8974 5.8727 5.8727 9.7068 9.7068 15.4907 15.4907 15.5208 15.5208 15.5694 15.5694 17.0653 17.0653 22.0350 22.0350 k = 0.2469 0.2736-0.0000 ( 1470 PWs) bands (ev): -41.9037 -41.9037 -18.6246 -18.6246 -18.0131 -18.0131 -17.9036 -17.9036 5.9852 5.9852 9.6011 9.6011 15.4634 15.4634 15.5587 15.5587 15.5773 15.5773 17.0969 17.0969 22.1654 22.1654 k = 0.2531 0.2805-0.0000 ( 1470 PWs) bands (ev): -41.8998 -41.8998 -18.6339 -18.6339 -18.0234 -18.0234 -17.9098 -17.9098 6.0992 6.0992 9.4976 9.4976 15.3710 15.3710 15.6130 15.6130 15.6351 15.6351 17.1287 17.1287 22.2928 22.2928 k = 0.2593 0.2873-0.0000 ( 1470 PWs) bands (ev): -41.8960 -41.8960 -18.6431 -18.6431 -18.0335 -18.0335 -17.9160 -17.9160 6.2149 6.2149 9.3966 9.3966 15.2743 15.2743 15.6713 15.6713 15.6945 15.6945 17.1607 17.1607 22.4169 22.4169 k = 0.2654 0.2942-0.0000 ( 1470 PWs) bands (ev): -41.8922 -41.8922 -18.6524 -18.6524 -18.0436 -18.0436 -17.9222 -17.9222 6.3321 6.3321 9.2980 9.2980 15.1756 15.1756 15.7314 15.7314 15.7553 15.7553 17.1927 17.1927 22.5377 22.5377 k = 0.2716 0.3010-0.0000 ( 1470 PWs) bands (ev): -41.8885 -41.8885 -18.6616 -18.6616 -18.0535 -18.0535 -17.9283 -17.9283 6.4506 6.4506 9.2018 9.2018 15.0754 15.0754 15.7932 15.7932 15.8175 15.8175 17.2247 17.2247 22.6553 22.6553 k = 0.2778 0.3078-0.0000 ( 1470 PWs) bands (ev): -41.8847 -41.8847 -18.6708 -18.6708 -18.0633 -18.0633 -17.9344 -17.9344 6.5705 6.5705 9.1080 9.1080 14.9739 14.9739 15.8564 15.8564 15.8811 15.8811 17.2567 17.2567 22.7696 22.7696 k = 0.2840 0.3147-0.0000 ( 1470 PWs) bands (ev): -41.8809 -41.8809 -18.6799 -18.6799 -18.0730 -18.0730 -17.9405 -17.9405 6.6917 6.6917 9.0166 9.0166 14.8712 14.8712 15.9210 15.9210 15.9461 15.9461 17.2887 17.2887 22.8805 22.8805 k = 0.2901 0.3215-0.0000 ( 1470 PWs) bands (ev): -41.8772 -41.8772 -18.6889 -18.6889 -18.0824 -18.0824 -17.9465 -17.9465 6.8140 6.8140 8.9277 8.9277 14.7675 14.7675 15.9870 15.9870 16.0124 16.0124 17.3205 17.3205 22.9880 22.9880 k = 0.2963 0.3284-0.0000 ( 1470 PWs) bands (ev): -41.8736 -41.8736 -18.6978 -18.6978 -18.0917 -18.0917 -17.9525 -17.9525 6.9373 6.9373 8.8412 8.8412 14.6630 14.6630 16.0543 16.0543 16.0800 16.0800 17.3522 17.3522 23.0921 23.0921 k = 0.3025 0.3352-0.0000 ( 1470 PWs) bands (ev): -41.8700 -41.8700 -18.7066 -18.7066 -18.1008 -18.1008 -17.9584 -17.9584 7.0617 7.0617 8.7572 8.7572 14.5577 14.5577 16.1229 16.1229 16.1488 16.1488 17.3836 17.3836 23.1929 23.1929 k = 0.3086 0.3420-0.0000 ( 1470 PWs) bands (ev): -41.8664 -41.8664 -18.7154 -18.7154 -18.1097 -18.1097 -17.9642 -17.9642 7.1869 7.1869 8.6757 8.6757 14.4519 14.4519 16.1926 16.1926 16.2188 16.2188 17.4148 17.4148 23.2903 23.2903 k = 0.3148 0.3489-0.0000 ( 1474 PWs) bands (ev): -41.8629 -41.8629 -18.7239 -18.7239 -18.1184 -18.1184 -17.9699 -17.9699 7.3129 7.3129 8.5967 8.5967 14.3456 14.3456 16.2635 16.2635 16.2899 16.2899 17.4457 17.4457 23.3842 23.3842 k = 0.3210 0.3557-0.0000 ( 1474 PWs) bands (ev): -41.8594 -41.8594 -18.7324 -18.7324 -18.1269 -18.1269 -17.9755 -17.9755 7.4396 7.4396 8.5202 8.5202 14.2388 14.2388 16.3354 16.3354 16.3621 16.3621 17.4762 17.4762 23.4748 23.4748 k = 0.3272 0.3626-0.0000 ( 1474 PWs) bands (ev): -41.8560 -41.8560 -18.7406 -18.7406 -18.1352 -18.1352 -17.9810 -17.9810 7.5670 7.5670 8.4462 8.4462 14.1318 14.1318 16.4084 16.4084 16.4352 16.4352 17.5062 17.5062 23.5620 23.5620 k = 0.3333 0.3694-0.0000 ( 1474 PWs) bands (ev): -41.8527 -41.8527 -18.7487 -18.7487 -18.1433 -18.1433 -17.9864 -17.9864 7.6948 7.6948 8.3748 8.3748 14.0246 14.0246 16.4822 16.4822 16.5092 16.5092 17.5358 17.5358 23.6458 23.6458 k = 0.3395 0.3763-0.0000 ( 1474 PWs) bands (ev): -41.8494 -41.8494 -18.7566 -18.7566 -18.1511 -18.1511 -17.9917 -17.9917 7.8231 7.8231 8.3058 8.3058 13.9173 13.9173 16.5569 16.5569 16.5841 16.5841 17.5649 17.5649 23.7263 23.7263 k = 0.3457 0.3831-0.0000 ( 1474 PWs) bands (ev): -41.8462 -41.8462 -18.7643 -18.7643 -18.1586 -18.1586 -17.9969 -17.9969 7.9517 7.9517 8.2394 8.2394 13.8099 13.8099 16.6323 16.6323 16.6596 16.6596 17.5934 17.5934 23.8034 23.8034 k = 0.3519 0.3899-0.0000 ( 1474 PWs) bands (ev): -41.8431 -41.8431 -18.7718 -18.7718 -18.1660 -18.1660 -18.0019 -18.0019 8.0805 8.0805 8.1756 8.1756 13.7024 13.7024 16.7083 16.7083 16.7356 16.7356 17.6213 17.6213 23.8773 23.8773 k = 0.3580 0.3968-0.0000 ( 1474 PWs) bands (ev): -41.8401 -41.8401 -18.7791 -18.7791 -18.1730 -18.1730 -18.0068 -18.0068 8.1143 8.1143 8.2095 8.2095 13.5950 13.5950 16.7847 16.7847 16.8121 16.8121 17.6484 17.6484 23.9478 23.9478 k = 0.3642 0.4036-0.0000 ( 1498 PWs) bands (ev): -41.8372 -41.8372 -18.7861 -18.7861 -18.1798 -18.1798 -18.0115 -18.0115 8.0556 8.0556 8.3385 8.3385 13.4877 13.4877 16.8614 16.8614 16.8889 16.8889 17.6749 17.6749 24.0150 24.0150 k = 0.3704 0.4105-0.0000 ( 1494 PWs) bands (ev): -41.8344 -41.8344 -18.7929 -18.7929 -18.1864 -18.1864 -18.0160 -18.0160 7.9994 7.9994 8.4674 8.4674 13.3805 13.3805 16.9383 16.9383 16.9658 16.9658 17.7006 17.7006 24.0791 24.0791 k = 0.3765 0.4173-0.0000 ( 1494 PWs) bands (ev): -41.8317 -41.8317 -18.7995 -18.7995 -18.1926 -18.1926 -18.0204 -18.0204 7.9458 7.9458 8.5962 8.5962 13.2734 13.2734 17.0151 17.0151 17.0426 17.0426 17.7254 17.7254 24.1398 24.1398 k = 0.3827 0.4241-0.0000 ( 1486 PWs) bands (ev): -41.8291 -41.8291 -18.8058 -18.8058 -18.1986 -18.1986 -18.0247 -18.0247 7.8948 7.8948 8.7247 8.7247 13.1665 13.1665 17.0917 17.0917 17.1192 17.1192 17.7494 17.7494 24.1974 24.1974 k = 0.3889 0.4310-0.0000 ( 1486 PWs) bands (ev): -41.8266 -41.8266 -18.8118 -18.8118 -18.2044 -18.2044 -18.0287 -18.0287 7.8463 7.8463 8.8530 8.8530 13.0596 13.0596 17.1679 17.1679 17.1953 17.1953 17.7725 17.7725 24.2517 24.2517 k = 0.3951 0.4378-0.0000 ( 1486 PWs) bands (ev): -41.8242 -41.8242 -18.8175 -18.8175 -18.2098 -18.2098 -18.0326 -18.0326 7.8005 7.8005 8.9807 8.9807 12.9530 12.9530 17.2434 17.2434 17.2706 17.2706 17.7946 17.7946 24.1872 24.1872 k = 0.4012 0.4447-0.0000 ( 1486 PWs) bands (ev): -41.8219 -41.8219 -18.8230 -18.8230 -18.2149 -18.2149 -18.0363 -18.0363 7.7572 7.7572 9.1080 9.1080 12.8464 12.8464 17.3179 17.3179 17.3449 17.3449 17.8158 17.8158 24.0541 24.0541 k = 0.4074 0.4515-0.0000 ( 1486 PWs) bands (ev): -41.8198 -41.8198 -18.8281 -18.8281 -18.2198 -18.2198 -18.0397 -18.0397 7.7166 7.7166 9.2346 9.2346 12.7399 12.7399 17.3911 17.3911 17.4179 17.4179 17.8359 17.8359 23.9256 23.9256 k = 0.4136 0.4583-0.0000 ( 1486 PWs) bands (ev): -41.8178 -41.8178 -18.8330 -18.8330 -18.2243 -18.2243 -18.0430 -18.0430 7.6785 7.6785 9.3605 9.3605 12.6336 12.6336 17.4627 17.4627 17.4893 17.4893 17.8549 17.8549 23.8022 23.8022 k = 0.4198 0.4652-0.0000 ( 1486 PWs) bands (ev): -41.8159 -41.8159 -18.8375 -18.8375 -18.2286 -18.2286 -18.0461 -18.0461 7.6431 7.6431 9.4855 9.4855 12.5273 12.5273 17.5323 17.5323 17.5586 17.5586 17.8728 17.8728 23.6842 23.6842 k = 0.4259 0.4720-0.0000 ( 1486 PWs) bands (ev): -41.8141 -41.8141 -18.8418 -18.8418 -18.2325 -18.2325 -18.0490 -18.0490 7.6103 7.6103 9.6097 9.6097 12.4211 12.4211 17.5996 17.5996 17.6255 17.6255 17.8896 17.8896 23.5720 23.5720 k = 0.4321 0.4789-0.0000 ( 1486 PWs) bands (ev): -41.8125 -41.8125 -18.8457 -18.8457 -18.2361 -18.2361 -18.0516 -18.0516 7.5801 7.5801 9.7328 9.7328 12.3151 12.3151 17.6641 17.6641 17.6895 17.6895 17.9053 17.9053 23.4662 23.4662 k = 0.4383 0.4857-0.0000 ( 1474 PWs) bands (ev): -41.8110 -41.8110 -18.8493 -18.8493 -18.2395 -18.2395 -18.0540 -18.0540 7.5525 7.5525 9.8547 9.8547 12.2091 12.2091 17.7253 17.7253 17.7502 17.7502 17.9199 17.9199 23.3670 23.3670 k = 0.4444 0.4925-0.0000 ( 1470 PWs) bands (ev): -41.8096 -41.8096 -18.8525 -18.8525 -18.2425 -18.2425 -18.0563 -18.0563 7.5275 7.5275 9.9753 9.9753 12.1034 12.1034 17.7829 17.7829 17.8069 17.8069 17.9334 17.9334 23.2752 23.2752 k = 0.4506 0.4994-0.0000 ( 1470 PWs) bands (ev): -41.8084 -41.8084 -18.8555 -18.8555 -18.2452 -18.2452 -18.0583 -18.0583 7.5051 7.5051 10.0943 10.0943 11.9979 11.9979 17.8362 17.8362 17.8589 17.8589 17.9461 17.9461 23.1910 23.1910 k = 0.4568 0.5062-0.0000 ( 1470 PWs) bands (ev): -41.8073 -41.8073 -18.8581 -18.8581 -18.2476 -18.2476 -18.0600 -18.0600 7.4854 7.4854 10.2114 10.2114 11.8929 11.8929 17.8849 17.8849 17.9048 17.9048 17.9589 17.9589 23.1152 23.1152 k = 0.4630 0.5131-0.0000 ( 1470 PWs) bands (ev): -41.8063 -41.8063 -18.8603 -18.8603 -18.2497 -18.2497 -18.0615 -18.0615 7.4683 7.4683 10.3263 10.3263 11.7888 11.7888 17.9283 17.9283 17.9408 17.9408 17.9752 17.9752 23.0482 23.0482 k = 0.4691 0.5199-0.0000 ( 1470 PWs) bands (ev): -41.8055 -41.8055 -18.8622 -18.8622 -18.2515 -18.2515 -18.0629 -18.0629 7.4538 7.4538 10.4382 10.4382 11.6862 11.6862 17.9605 17.9605 17.9663 17.9663 18.0004 18.0004 22.9904 22.9904 k = 0.4753 0.5268-0.0000 ( 1474 PWs) bands (ev): -41.8049 -41.8049 -18.8638 -18.8638 -18.2529 -18.2529 -18.0639 -18.0639 7.4420 7.4420 10.5457 10.5457 11.5863 11.5863 17.9707 17.9707 17.9978 17.9978 18.0280 18.0280 22.9425 22.9425 k = 0.4815 0.5336-0.0000 ( 1474 PWs) bands (ev): -41.8044 -41.8044 -18.8650 -18.8650 -18.2540 -18.2540 -18.0647 -18.0647 7.4328 7.4328 10.6464 10.6464 11.4915 11.4915 17.9770 17.9770 18.0228 18.0228 18.0515 18.0515 22.9047 22.9047 k = 0.4877 0.5404-0.0000 ( 1466 PWs) bands (ev): -41.8040 -41.8040 -18.8659 -18.8659 -18.2548 -18.2548 -18.0653 -18.0653 7.4262 7.4262 10.7353 10.7353 11.4070 11.4070 17.9812 17.9812 18.0410 18.0410 18.0689 18.0689 22.8774 22.8774 k = 0.4938 0.5473-0.0000 ( 1466 PWs) bands (ev): -41.8038 -41.8038 -18.8664 -18.8664 -18.2553 -18.2553 -18.0657 -18.0657 7.4222 7.4222 10.8016 10.8016 11.3433 11.3433 17.9836 17.9836 18.0520 18.0520 18.0795 18.0795 22.8610 22.8610 k = 0.5000 0.5541-0.0000 ( 1474 PWs) bands (ev): -41.8037 -41.8037 -18.8666 -18.8666 -18.2555 -18.2555 -18.0658 -18.0658 7.4209 7.4209 10.8275 10.8275 11.3183 11.3183 17.9844 17.9844 18.0556 18.0556 18.0830 18.0830 22.8555 22.8555 k = 0.5000 0.5541-0.0000 ( 1474 PWs) bands (ev): -41.8037 -41.8037 -18.8666 -18.8666 -18.2555 -18.2555 -18.0658 -18.0658 7.4209 7.4209 10.8275 10.8275 11.3183 11.3183 17.9844 17.9844 18.0556 18.0556 18.0830 18.0830 22.8555 22.8555 k = 0.4952 0.5585 0.0065 ( 1466 PWs) bands (ev): -41.8037 -41.8037 -18.8665 -18.8665 -18.2554 -18.2554 -18.0659 -18.0659 7.4216 7.4216 10.8261 10.8261 11.3197 11.3197 17.9813 17.9813 18.0565 18.0565 18.0841 18.0841 22.8501 22.8501 k = 0.4904 0.5628 0.0130 ( 1470 PWs) bands (ev): -41.8038 -41.8038 -18.8662 -18.8662 -18.2553 -18.2553 -18.0661 -18.0661 7.4236 7.4236 10.8220 10.8220 11.3238 11.3238 17.9722 17.9722 18.0578 18.0578 18.0886 18.0886 22.8247 22.8247 k = 0.4855 0.5672 0.0195 ( 1482 PWs) bands (ev): -41.8039 -41.8039 -18.8658 -18.8658 -18.2551 -18.2551 -18.0665 -18.0665 7.4270 7.4270 10.8152 10.8152 11.3306 11.3306 17.9569 17.9569 18.0566 18.0566 18.0994 18.0994 22.7687 22.7687 k = 0.4807 0.5715 0.0260 ( 1482 PWs) bands (ev): -41.8040 -41.8040 -18.8652 -18.8652 -18.2549 -18.2549 -18.0669 -18.0669 7.4316 7.4316 10.8057 10.8057 11.3402 11.3402 17.9357 17.9357 18.0522 18.0522 18.1175 18.1175 22.6869 22.6869 k = 0.4759 0.5759 0.0325 ( 1486 PWs) bands (ev): -41.8041 -41.8041 -18.8644 -18.8644 -18.2545 -18.2545 -18.0675 -18.0675 7.4375 7.4375 10.7937 10.7937 11.3524 11.3524 17.9087 17.9087 18.0452 18.0452 18.1422 18.1422 22.5860 22.5860 k = 0.4711 0.5802 0.0390 ( 1486 PWs) bands (ev): -41.8043 -41.8043 -18.8634 -18.8634 -18.2542 -18.2542 -18.0682 -18.0682 7.4446 7.4446 10.7792 10.7792 11.3673 11.3673 17.8764 17.8764 18.0360 18.0360 18.1729 18.1729 22.4712 22.4712 k = 0.4662 0.5846 0.0455 ( 1486 PWs) bands (ev): -41.8046 -41.8046 -18.8622 -18.8622 -18.2537 -18.2537 -18.0690 -18.0690 7.4529 7.4529 10.7624 10.7624 11.3849 11.3849 17.8390 17.8390 18.0249 18.0249 18.2092 18.2092 22.3458 22.3458 k = 0.4614 0.5889 0.0520 ( 1486 PWs) bands (ev): -41.8049 -41.8049 -18.8609 -18.8609 -18.2532 -18.2532 -18.0699 -18.0699 7.4622 7.4622 10.7433 10.7433 11.4051 11.4051 17.7970 17.7970 18.0120 18.0120 18.2510 18.2510 22.2127 22.2127 k = 0.4566 0.5933 0.0585 ( 1486 PWs) bands (ev): -41.8052 -41.8052 -18.8595 -18.8595 -18.2527 -18.2527 -18.0707 -18.0707 7.4726 7.4726 10.7221 10.7221 11.4278 11.4278 17.7509 17.7509 17.9973 17.9973 18.2980 18.2980 22.0740 22.0740 k = 0.4518 0.5976 0.0650 ( 1488 PWs) bands (ev): -41.8055 -41.8055 -18.8579 -18.8579 -18.2521 -18.2521 -18.0717 -18.0717 7.4839 7.4839 10.6989 10.6989 11.4530 11.4530 17.7011 17.7011 17.9809 17.9809 18.3499 18.3499 21.9311 21.9311 k = 0.4469 0.6020 0.0715 ( 1492 PWs) bands (ev): -41.8059 -41.8059 -18.8562 -18.8562 -18.2514 -18.2514 -18.0725 -18.0725 7.4960 7.4960 10.6739 10.6739 11.4807 11.4807 17.6481 17.6481 17.9629 17.9629 18.4067 18.4067 21.7857 21.7857 k = 0.4421 0.6063 0.0780 ( 1492 PWs) bands (ev): -41.8063 -41.8063 -18.8543 -18.8543 -18.2508 -18.2508 -18.0734 -18.0734 7.5088 7.5088 10.6474 10.6474 11.5109 11.5109 17.5922 17.5922 17.9431 17.9431 18.4681 18.4681 21.6386 21.6386 k = 0.4373 0.6107 0.0845 ( 1496 PWs) bands (ev): -41.8068 -41.8068 -18.8523 -18.8523 -18.2501 -18.2501 -18.0742 -18.0742 7.5221 7.5221 10.6193 10.6193 11.5433 11.5433 17.5339 17.5339 17.9218 17.9218 18.5339 18.5339 21.4908 21.4908 k = 0.4325 0.6151 0.0910 ( 1490 PWs) bands (ev): -41.8073 -41.8073 -18.8502 -18.8502 -18.2495 -18.2495 -18.0749 -18.0749 7.5360 7.5360 10.5900 10.5900 11.5780 11.5780 17.4736 17.4736 17.8988 17.8988 18.6038 18.6038 21.3432 21.3432 k = 0.4276 0.6194 0.0975 ( 1490 PWs) bands (ev): -41.8079 -41.8079 -18.8480 -18.8480 -18.2488 -18.2488 -18.0755 -18.0755 7.5501 7.5501 10.5596 10.5596 11.6149 11.6149 17.4117 17.4117 17.8742 17.8742 18.6778 18.6778 21.1963 21.1963 k = 0.4228 0.6238 0.1040 ( 1490 PWs) bands (ev): -41.8085 -41.8085 -18.8457 -18.8457 -18.2481 -18.2481 -18.0759 -18.0759 7.5644 7.5644 10.5283 10.5283 11.6539 11.6539 17.3485 17.3485 17.8481 17.8481 18.7554 18.7554 21.0507 21.0507 k = 0.4180 0.6281 0.1105 ( 1488 PWs) bands (ev): -41.8092 -41.8092 -18.8433 -18.8433 -18.2474 -18.2474 -18.0761 -18.0761 7.5787 7.5787 10.4963 10.4963 11.6949 11.6949 17.2843 17.2843 17.8205 17.8205 18.8367 18.8367 20.9071 20.9071 k = 0.4132 0.6325 0.1170 ( 1490 PWs) bands (ev): -41.8099 -41.8099 -18.8409 -18.8409 -18.2467 -18.2467 -18.0761 -18.0761 7.5929 7.5929 10.4637 10.4637 11.7378 11.7378 17.2194 17.2194 17.7913 17.7913 18.9212 18.9212 20.7657 20.7657 k = 0.4083 0.6368 0.1235 ( 1482 PWs) bands (ev): -41.8107 -41.8107 -18.8384 -18.8384 -18.2460 -18.2460 -18.0759 -18.0759 7.6067 7.6067 10.4307 10.4307 11.7825 11.7825 17.1541 17.1541 17.7606 17.7606 19.0089 19.0089 20.6272 20.6272 k = 0.4035 0.6412 0.1299 ( 1482 PWs) bands (ev): -41.8115 -41.8115 -18.8358 -18.8358 -18.2452 -18.2452 -18.0754 -18.0754 7.6200 7.6200 10.3975 10.3975 11.8290 11.8290 17.0886 17.0886 17.7285 17.7285 19.0994 19.0994 20.4917 20.4917 k = 0.4035 0.6412 0.1299 ( 1482 PWs) bands (ev): -41.8115 -41.8115 -18.8358 -18.8358 -18.2452 -18.2452 -18.0754 -18.0754 7.6200 7.6200 10.3975 10.3975 11.8290 11.8290 17.0886 17.0886 17.7285 17.7285 19.0994 19.0994 20.4917 20.4917 k = 0.3958 0.6385 0.1339 ( 1484 PWs) bands (ev): -41.8121 -41.8121 -18.8342 -18.8342 -18.2447 -18.2447 -18.0749 -18.0749 7.6284 7.6284 10.3725 10.3725 11.8625 11.8625 17.0450 17.0450 17.7107 17.7107 19.1520 19.1520 20.4145 20.4145 k = 0.3880 0.6358 0.1379 ( 1484 PWs) bands (ev): -41.8127 -41.8127 -18.8325 -18.8325 -18.2440 -18.2440 -18.0740 -18.0740 7.6376 7.6376 10.3392 10.3392 11.9044 11.9044 16.9944 16.9944 17.6974 17.6974 19.1965 19.1965 20.3475 20.3475 k = 0.3802 0.6332 0.1419 ( 1480 PWs) bands (ev): -41.8135 -41.8135 -18.8307 -18.8307 -18.2431 -18.2431 -18.0728 -18.0728 7.6474 7.6474 10.2990 10.2990 11.9532 11.9532 16.9376 16.9376 17.6884 17.6884 19.2312 19.2312 20.2923 20.2923 k = 0.3725 0.6305 0.1459 ( 1483 PWs) bands (ev): -41.8143 -41.8143 -18.8290 -18.8290 -18.2421 -18.2421 -18.0712 -18.0712 7.6576 7.6576 10.2535 10.2535 12.0077 12.0077 16.8752 16.8752 17.6831 17.6831 19.2543 19.2543 20.2503 20.2503 k = 0.3647 0.6279 0.1498 ( 1485 PWs) bands (ev): -41.8152 -41.8152 -18.8272 -18.8272 -18.2408 -18.2408 -18.0693 -18.0693 7.6681 7.6681 10.2039 10.2039 12.0669 12.0669 16.8081 16.8081 17.6811 17.6811 19.2646 19.2646 20.2226 20.2226 k = 0.3570 0.6252 0.1538 ( 1484 PWs) bands (ev): -41.8162 -41.8162 -18.8255 -18.8255 -18.2394 -18.2394 -18.0670 -18.0670 7.6786 7.6786 10.1513 10.1513 12.1298 12.1298 16.7372 16.7372 17.6819 17.6819 19.2617 19.2617 20.2093 20.2093 k = 0.3492 0.6225 0.1578 ( 1484 PWs) bands (ev): -41.8173 -41.8173 -18.8238 -18.8238 -18.2379 -18.2379 -18.0643 -18.0643 7.6889 7.6889 10.0968 10.0968 12.1957 12.1957 16.6630 16.6630 17.6850 17.6850 19.2464 19.2464 20.2096 20.2096 k = 0.3414 0.6199 0.1618 ( 1480 PWs) bands (ev): -41.8184 -41.8184 -18.8223 -18.8223 -18.2361 -18.2361 -18.0613 -18.0613 7.6988 7.6988 10.0412 10.0412 12.2640 12.2640 16.5864 16.5864 17.6900 17.6900 19.2202 19.2202 20.2215 20.2215 k = 0.3337 0.6172 0.1657 ( 1479 PWs) bands (ev): -41.8196 -41.8196 -18.8208 -18.8208 -18.2342 -18.2342 -18.0579 -18.0579 7.7080 7.7080 9.9853 9.9853 12.3342 12.3342 16.5079 16.5079 17.6966 17.6966 19.1854 19.1854 20.2427 20.2427 k = 0.3259 0.6145 0.1697 ( 1477 PWs) bands (ev): -41.8209 -41.8209 -18.8194 -18.8194 -18.2321 -18.2321 -18.0541 -18.0541 7.7162 7.7162 9.9297 9.9297 12.4061 12.4061 16.4278 16.4278 17.7045 17.7045 19.1441 19.1441 20.2708 20.2708 k = 0.3182 0.6119 0.1737 ( 1477 PWs) bands (ev): -41.8222 -41.8222 -18.8182 -18.8182 -18.2298 -18.2298 -18.0500 -18.0500 7.7231 7.7231 9.8752 9.8752 12.4794 12.4794 16.3468 16.3468 17.7135 17.7135 19.0981 19.0981 20.3038 20.3038 k = 0.3104 0.6092 0.1777 ( 1471 PWs) bands (ev): -41.8236 -41.8236 -18.8172 -18.8172 -18.2274 -18.2274 -18.0454 -18.0454 7.7284 7.7284 9.8223 9.8223 12.5538 12.5538 16.2651 16.2651 17.7234 17.7234 19.0490 19.0490 20.3400 20.3400 k = 0.3026 0.6065 0.1816 ( 1469 PWs) bands (ev): -41.8250 -41.8250 -18.8163 -18.8163 -18.2247 -18.2247 -18.0406 -18.0406 7.7318 7.7318 9.7714 9.7714 12.6293 12.6293 16.1830 16.1830 17.7340 17.7340 18.9979 18.9979 20.3781 20.3781 k = 0.2949 0.6039 0.1856 ( 1467 PWs) bands (ev): -41.8265 -41.8265 -18.8155 -18.8155 -18.2220 -18.2220 -18.0354 -18.0354 7.7330 7.7330 9.7232 9.7232 12.7056 12.7056 16.1009 16.1009 17.7452 17.7452 18.9455 18.9455 20.4172 20.4172 k = 0.2871 0.6012 0.1896 ( 1468 PWs) bands (ev): -41.8280 -41.8280 -18.8150 -18.8150 -18.2190 -18.2190 -18.0298 -18.0298 7.7316 7.7316 9.6781 9.6781 12.7828 12.7828 16.0190 16.0190 17.7570 17.7570 18.8924 18.8924 20.4566 20.4566 k = 0.2794 0.5985 0.1936 ( 1464 PWs) bands (ev): -41.8295 -41.8295 -18.8147 -18.8147 -18.2160 -18.2160 -18.0240 -18.0240 7.7275 7.7275 9.6364 9.6364 12.8608 12.8608 15.9376 15.9376 17.7692 17.7692 18.8391 18.8391 20.4958 20.4958 k = 0.2716 0.5959 0.1976 ( 1464 PWs) bands (ev): -41.8311 -41.8311 -18.8146 -18.8146 -18.2127 -18.2127 -18.0178 -18.0178 7.7203 7.7203 9.5986 9.5986 12.9394 12.9394 15.8567 15.8567 17.7817 17.7817 18.7858 18.7858 20.5345 20.5345 k = 0.2638 0.5932 0.2015 ( 1464 PWs) bands (ev): -41.8327 -41.8327 -18.8146 -18.8146 -18.2094 -18.2094 -18.0113 -18.0113 7.7098 7.7098 9.5649 9.5649 13.0188 13.0188 15.7767 15.7767 17.7945 17.7945 18.7328 18.7328 20.5723 20.5723 k = 0.2561 0.5906 0.2055 ( 1460 PWs) bands (ev): -41.8343 -41.8343 -18.8149 -18.8149 -18.2060 -18.2060 -18.0046 -18.0046 7.6960 7.6960 9.5355 9.5355 13.0989 13.0989 15.6977 15.6977 17.8076 17.8076 18.6801 18.6801 20.6090 20.6090 k = 0.2483 0.5879 0.2095 ( 1458 PWs) bands (ev): -41.8360 -41.8360 -18.8153 -18.8153 -18.2024 -18.2024 -17.9977 -17.9977 7.6787 7.6787 9.5105 9.5105 13.1797 13.1797 15.6198 15.6198 17.8207 17.8207 18.6279 18.6279 20.6447 20.6447 k = 0.2406 0.5852 0.2135 ( 1456 PWs) bands (ev): -41.8376 -41.8376 -18.8160 -18.8160 -18.1988 -18.1988 -17.9905 -17.9905 7.6581 7.6581 9.4901 9.4901 13.2610 13.2610 15.5432 15.5432 17.8340 17.8340 18.5762 18.5762 20.6791 20.6791 k = 0.2328 0.5826 0.2174 ( 1458 PWs) bands (ev): -41.8393 -41.8393 -18.8168 -18.8168 -18.1951 -18.1951 -17.9831 -17.9831 7.6342 7.6342 9.4741 9.4741 13.3430 13.3430 15.4680 15.4680 17.8473 17.8473 18.5252 18.5252 20.7123 20.7123 k = 0.2250 0.5799 0.2214 ( 1458 PWs) bands (ev): -41.8409 -41.8409 -18.8178 -18.8178 -18.1914 -18.1914 -17.9755 -17.9755 7.6071 7.6071 9.4623 9.4623 13.4255 13.4255 15.3944 15.3944 17.8606 17.8606 18.4749 18.4749 20.7441 20.7441 k = 0.2173 0.5772 0.2254 ( 1460 PWs) bands (ev): -41.8426 -41.8426 -18.8189 -18.8189 -18.1876 -18.1876 -17.9678 -17.9678 7.5772 7.5772 9.4547 9.4547 13.5086 13.5086 15.3224 15.3224 17.8739 17.8739 18.4253 18.4253 20.7747 20.7747 k = 0.2095 0.5746 0.2294 ( 1460 PWs) bands (ev): -41.8443 -41.8443 -18.8202 -18.8202 -18.1838 -18.1838 -17.9600 -17.9600 7.5447 7.5447 9.4508 9.4508 13.5921 13.5921 15.2522 15.2522 17.8871 17.8871 18.3766 18.3766 20.8040 20.8040 k = 0.2018 0.5719 0.2333 ( 1458 PWs) bands (ev): -41.8459 -41.8459 -18.8216 -18.8216 -18.1800 -18.1800 -17.9520 -17.9520 7.5100 7.5100 9.4505 9.4505 13.6761 13.6761 15.1838 15.1838 17.9001 17.9001 18.3287 18.3287 20.8320 20.8320 k = 0.1940 0.5692 0.2373 ( 1460 PWs) bands (ev): -41.8475 -41.8475 -18.8231 -18.8231 -18.1762 -18.1762 -17.9441 -17.9441 7.4734 7.4734 9.4533 9.4533 13.7603 13.7603 15.1173 15.1173 17.9130 17.9130 18.2817 18.2817 20.8588 20.8588 k = 0.1862 0.5666 0.2413 ( 1462 PWs) bands (ev): -41.8491 -41.8491 -18.8247 -18.8247 -18.1725 -18.1725 -17.9361 -17.9361 7.4354 7.4354 9.4589 9.4589 13.8448 13.8448 15.0529 15.0529 17.9257 17.9257 18.2358 18.2358 20.8843 20.8843 k = 0.1785 0.5639 0.2453 ( 1458 PWs) bands (ev): -41.8507 -41.8507 -18.8264 -18.8264 -18.1687 -18.1687 -17.9281 -17.9281 7.3963 7.3963 9.4669 9.4669 13.9293 13.9293 14.9905 14.9905 17.9381 17.9381 18.1909 18.1909 20.9086 20.9086 k = 0.1707 0.5613 0.2492 ( 1462 PWs) bands (ev): -41.8522 -41.8522 -18.8281 -18.8281 -18.1651 -18.1651 -17.9201 -17.9201 7.3564 7.3564 9.4771 9.4771 14.0137 14.0137 14.9304 14.9304 17.9503 17.9503 18.1473 18.1473 20.9317 20.9317 k = 0.1630 0.5586 0.2532 ( 1462 PWs) bands (ev): -41.8538 -41.8538 -18.8299 -18.8299 -18.1615 -18.1615 -17.9122 -17.9122 7.3162 7.3162 9.4889 9.4889 14.0979 14.0979 14.8725 14.8725 17.9620 17.9620 18.1049 18.1049 20.9537 20.9537 k = 0.1552 0.5559 0.2572 ( 1461 PWs) bands (ev): -41.8552 -41.8552 -18.8318 -18.8318 -18.1580 -18.1580 -17.9044 -17.9044 7.2760 7.2760 9.5022 9.5022 14.1817 14.1817 14.8169 14.8169 17.9733 17.9733 18.0640 18.0640 20.9745 20.9745 k = 0.1474 0.5533 0.2612 ( 1461 PWs) bands (ev): -41.8566 -41.8566 -18.8336 -18.8336 -18.1546 -18.1546 -17.8968 -17.8968 7.2361 7.2361 9.5165 9.5165 14.2648 14.2648 14.7637 14.7637 17.9834 17.9834 18.0254 18.0254 20.9942 20.9942 k = 0.1397 0.5506 0.2652 ( 1463 PWs) bands (ev): -41.8580 -41.8580 -18.8355 -18.8355 -18.1513 -18.1513 -17.8893 -17.8893 7.1967 7.1967 9.5317 9.5317 14.3469 14.3469 14.7130 14.7130 17.9799 17.9799 18.0014 18.0014 21.0128 21.0128 k = 0.1319 0.5479 0.2691 ( 1463 PWs) bands (ev): -41.8594 -41.8594 -18.8373 -18.8373 -18.1481 -18.1481 -17.8820 -17.8820 7.1581 7.1581 9.5474 9.5474 14.4278 14.4278 14.6649 14.6649 17.9468 17.9468 18.0081 18.0081 21.0303 21.0303 k = 0.1242 0.5453 0.2731 ( 1465 PWs) bands (ev): -41.8606 -41.8606 -18.8392 -18.8392 -18.1450 -18.1450 -17.8750 -17.8750 7.1207 7.1207 9.5634 9.5634 14.5066 14.5066 14.6199 14.6199 17.9124 17.9124 18.0175 18.0175 21.0468 21.0468 k = 0.1164 0.5426 0.2771 ( 1465 PWs) bands (ev): -41.8618 -41.8618 -18.8409 -18.8409 -18.1421 -18.1421 -17.8682 -17.8682 7.0845 7.0845 9.5795 9.5795 14.5660 14.5660 14.5950 14.5950 17.8793 17.8793 18.0268 18.0268 21.0622 21.0622 k = 0.1086 0.5399 0.2811 ( 1463 PWs) bands (ev): -41.8630 -41.8630 -18.8427 -18.8427 -18.1393 -18.1393 -17.8617 -17.8617 7.0498 7.0498 9.5954 9.5954 14.5329 14.5329 14.6631 14.6631 17.8480 17.8480 18.0358 18.0358 21.0766 21.0766 k = 0.1009 0.5373 0.2850 ( 1459 PWs) bands (ev): -41.8641 -41.8641 -18.8443 -18.8443 -18.1367 -18.1367 -17.8555 -17.8555 7.0169 7.0169 9.6110 9.6110 14.4955 14.4955 14.7357 14.7357 17.8185 17.8185 18.0442 18.0442 21.0899 21.0899 k = 0.0931 0.5346 0.2890 ( 1461 PWs) bands (ev): -41.8651 -41.8651 -18.8459 -18.8459 -18.1343 -18.1343 -17.8497 -17.8497 6.9857 6.9857 9.6261 9.6261 14.4604 14.4604 14.8057 14.8057 17.7911 17.7911 18.0521 18.0521 21.1022 21.1022 k = 0.0854 0.5319 0.2930 ( 1461 PWs) bands (ev): -41.8660 -41.8660 -18.8474 -18.8474 -18.1320 -18.1320 -17.8442 -17.8442 6.9566 6.9566 9.6405 9.6405 14.4278 14.4278 14.8725 14.8725 17.7656 17.7656 18.0595 18.0595 21.1136 21.1136 k = 0.0776 0.5293 0.2970 ( 1460 PWs) bands (ev): -41.8669 -41.8669 -18.8489 -18.8489 -18.1299 -18.1299 -17.8392 -17.8392 6.9296 6.9296 9.6542 9.6542 14.3980 14.3980 14.9355 14.9355 17.7423 17.7423 18.0663 18.0663 21.1239 21.1239 k = 0.0698 0.5266 0.3009 ( 1462 PWs) bands (ev): -41.8677 -41.8677 -18.8502 -18.8502 -18.1280 -18.1280 -17.8345 -17.8345 6.9049 6.9049 9.6669 9.6669 14.3709 14.3709 14.9943 14.9943 17.7212 17.7212 18.0725 18.0725 21.1332 21.1332 k = 0.0621 0.5240 0.3049 ( 1464 PWs) bands (ev): -41.8684 -41.8684 -18.8513 -18.8513 -18.1262 -18.1262 -17.8303 -17.8303 6.8824 6.8824 9.6786 9.6786 14.3466 14.3466 15.0485 15.0485 17.7023 17.7023 18.0782 18.0782 21.1415 21.1415 k = 0.0543 0.5213 0.3089 ( 1465 PWs) bands (ev): -41.8691 -41.8691 -18.8524 -18.8524 -18.1247 -18.1247 -17.8265 -17.8265 6.8625 6.8625 9.6891 9.6891 14.3251 14.3251 15.0975 15.0975 17.6855 17.6855 18.0831 18.0831 21.1489 21.1489 k = 0.0466 0.5186 0.3129 ( 1462 PWs) bands (ev): -41.8696 -41.8696 -18.8533 -18.8533 -18.1233 -18.1233 -17.8232 -17.8232 6.8450 6.8450 9.6984 9.6984 14.3064 14.3064 15.1410 15.1410 17.6711 17.6711 18.0875 18.0875 21.1552 21.1552 k = 0.0388 0.5160 0.3168 ( 1462 PWs) bands (ev): -41.8701 -41.8701 -18.8541 -18.8541 -18.1222 -18.1222 -17.8204 -17.8204 6.8301 6.8301 9.7064 9.7064 14.2906 14.2906 15.1785 15.1785 17.6589 17.6589 18.0912 18.0912 21.1606 21.1606 k = 0.0310 0.5133 0.3208 ( 1464 PWs) bands (ev): -41.8705 -41.8705 -18.8548 -18.8548 -18.1213 -18.1213 -17.8181 -17.8181 6.8178 6.8178 9.7130 9.7130 14.2776 14.2776 15.2098 15.2098 17.6489 17.6489 18.0942 18.0942 21.1650 21.1650 k = 0.0233 0.5106 0.3248 ( 1464 PWs) bands (ev): -41.8708 -41.8708 -18.8553 -18.8553 -18.1205 -18.1205 -17.8163 -17.8163 6.8083 6.8083 9.7182 9.7182 14.2675 14.2675 15.2344 15.2344 17.6411 17.6411 18.0966 18.0966 21.1685 21.1685 k = 0.0155 0.5080 0.3288 ( 1464 PWs) bands (ev): -41.8710 -41.8710 -18.8557 -18.8557 -18.1200 -18.1200 -17.8150 -17.8150 6.8014 6.8014 9.7220 9.7220 14.2602 14.2602 15.2522 15.2522 17.6356 17.6356 18.0983 18.0983 21.1709 21.1709 k = 0.0078 0.5053 0.3328 ( 1464 PWs) bands (ev): -41.8711 -41.8711 -18.8559 -18.8559 -18.1197 -18.1197 -17.8142 -17.8142 6.7973 6.7973 9.7242 9.7242 14.2559 14.2559 15.2630 15.2630 17.6323 17.6323 18.0993 18.0993 21.1724 21.1724 k = 0.0000 0.5026 0.3367 ( 1464 PWs) bands (ev): -41.8712 -41.8712 -18.8560 -18.8560 -18.1196 -18.1196 -17.8139 -17.8139 6.7959 6.7959 9.7250 9.7250 14.2545 14.2545 15.2666 15.2666 17.6312 17.6312 18.0997 18.0997 21.1729 21.1729 k = 0.0000 0.5026 0.3367 ( 1464 PWs) bands (ev): -41.8712 -41.8712 -18.8560 -18.8560 -18.1196 -18.1196 -17.8139 -17.8139 6.7959 6.7959 9.7250 9.7250 14.2545 14.2545 15.2666 15.2666 17.6312 17.6312 18.0997 18.0997 21.1729 21.1729 k = 0.0048 0.4983 0.3432 ( 1464 PWs) bands (ev): -41.8712 -41.8712 -18.8559 -18.8559 -18.1197 -18.1197 -17.8141 -17.8141 6.7975 6.7975 9.7240 9.7240 14.2524 14.2524 15.2677 15.2677 17.6310 17.6310 18.1008 18.1008 21.1722 21.1722 k = 0.0096 0.4940 0.3497 ( 1464 PWs) bands (ev): -41.8711 -41.8711 -18.8556 -18.8556 -18.1202 -18.1202 -17.8147 -17.8147 6.8022 6.8022 9.7212 9.7212 14.2463 14.2463 15.2711 15.2711 17.6305 17.6305 18.1042 18.1042 21.1701 21.1701 k = 0.0144 0.4896 0.3562 ( 1464 PWs) bands (ev): -41.8709 -41.8709 -18.8551 -18.8551 -18.1209 -18.1209 -17.8156 -17.8156 6.8100 6.8100 9.7164 9.7164 14.2361 14.2361 15.2767 15.2767 17.6295 17.6295 18.1098 18.1098 21.1666 21.1666 k = 0.0192 0.4853 0.3626 ( 1466 PWs) bands (ev): -41.8708 -41.8708 -18.8544 -18.8544 -18.1220 -18.1220 -17.8168 -17.8168 6.8209 6.8209 9.7098 9.7098 14.2219 14.2219 15.2845 15.2845 17.6282 17.6282 18.1177 18.1177 21.1618 21.1618 k = 0.0240 0.4810 0.3691 ( 1468 PWs) bands (ev): -41.8705 -41.8705 -18.8536 -18.8536 -18.1233 -18.1233 -17.8184 -17.8184 6.8349 6.8349 9.7013 9.7013 14.2038 14.2038 15.2945 15.2945 17.6266 17.6266 18.1279 18.1279 21.1555 21.1555 k = 0.0288 0.4766 0.3756 ( 1472 PWs) bands (ev): -41.8702 -41.8702 -18.8525 -18.8525 -18.1250 -18.1250 -17.8204 -17.8204 6.8520 6.8520 9.6910 9.6910 14.1821 14.1821 15.3068 15.3068 17.6245 17.6245 18.1406 18.1406 21.1480 21.1480 k = 0.0337 0.4723 0.3821 ( 1470 PWs) bands (ev): -41.8699 -41.8699 -18.8513 -18.8513 -18.1269 -18.1269 -17.8226 -17.8226 6.8720 6.8720 9.6790 9.6790 14.1567 14.1567 15.3212 15.3212 17.6221 17.6221 18.1556 18.1556 21.1390 21.1390 k = 0.0385 0.4679 0.3885 ( 1470 PWs) bands (ev): -41.8695 -41.8695 -18.8499 -18.8499 -18.1291 -18.1291 -17.8252 -17.8252 6.8950 6.8950 9.6653 9.6653 14.1279 14.1279 15.3378 15.3378 17.6192 17.6192 18.1732 18.1732 21.1288 21.1288 k = 0.0433 0.4636 0.3950 ( 1466 PWs) bands (ev): -41.8691 -41.8691 -18.8483 -18.8483 -18.1315 -18.1315 -17.8282 -17.8282 6.9209 6.9209 9.6500 9.6500 14.0959 14.0959 15.3566 15.3566 17.6160 17.6160 18.1933 18.1933 21.1172 21.1172 k = 0.0481 0.4593 0.4015 ( 1466 PWs) bands (ev): -41.8686 -41.8686 -18.8466 -18.8466 -18.1342 -18.1342 -17.8314 -17.8314 6.9496 6.9496 9.6331 9.6331 14.0609 14.0609 15.3774 15.3774 17.6123 17.6123 18.2159 18.2159 21.1043 21.1043 k = 0.0529 0.4549 0.4080 ( 1466 PWs) bands (ev): -41.8681 -41.8681 -18.8447 -18.8447 -18.1371 -18.1371 -17.8349 -17.8349 6.9811 6.9811 9.6148 9.6148 14.0231 14.0231 15.4004 15.4004 17.6082 17.6082 18.2411 18.2411 21.0902 21.0902 k = 0.0577 0.4506 0.4144 ( 1466 PWs) bands (ev): -41.8675 -41.8675 -18.8427 -18.8427 -18.1402 -18.1402 -17.8387 -17.8387 7.0153 7.0153 9.5950 9.5950 13.9828 13.9828 15.4254 15.4254 17.6037 17.6037 18.2690 18.2690 21.0748 21.0748 k = 0.0625 0.4462 0.4209 ( 1468 PWs) bands (ev): -41.8669 -41.8669 -18.8406 -18.8406 -18.1435 -18.1435 -17.8428 -17.8428 7.0520 7.0520 9.5740 9.5740 13.9401 13.9401 15.4524 15.4524 17.5988 17.5988 18.2994 18.2994 21.0582 21.0582 k = 0.0673 0.4419 0.4274 ( 1468 PWs) bands (ev): -41.8662 -41.8662 -18.8383 -18.8383 -18.1470 -18.1470 -17.8472 -17.8472 7.0912 7.0912 9.5518 9.5518 13.8955 13.8955 15.4814 15.4814 17.5934 17.5934 18.3324 18.3324 21.0404 21.0404 k = 0.0721 0.4376 0.4339 ( 1468 PWs) bands (ev): -41.8655 -41.8655 -18.8360 -18.8360 -18.1507 -18.1507 -17.8517 -17.8517 7.1329 7.1329 9.5285 9.5285 13.8491 13.8491 15.5123 15.5123 17.5876 17.5876 18.3680 18.3680 21.0215 21.0215 k = 0.0769 0.4332 0.4403 ( 1468 PWs) bands (ev): -41.8648 -41.8648 -18.8336 -18.8336 -18.1544 -18.1544 -17.8566 -17.8566 7.1768 7.1768 9.5042 9.5042 13.8011 13.8011 15.5451 15.5451 17.5814 17.5814 18.4060 18.4060 21.0014 21.0014 k = 0.0817 0.4289 0.4468 ( 1468 PWs) bands (ev): -41.8641 -41.8641 -18.8311 -18.8311 -18.1583 -18.1583 -17.8616 -17.8616 7.2228 7.2228 9.4790 9.4790 13.7518 13.7518 15.5797 15.5797 17.5747 17.5747 18.4465 18.4465 20.9803 20.9803 k = 0.0865 0.4246 0.4533 ( 1468 PWs) bands (ev): -41.8633 -41.8633 -18.8285 -18.8285 -18.1623 -18.1623 -17.8668 -17.8668 7.2709 7.2709 9.4530 9.4530 13.7016 13.7016 15.6160 15.6160 17.5677 17.5677 18.4893 18.4893 20.9581 20.9581 k = 0.0913 0.4202 0.4598 ( 1468 PWs) bands (ev): -41.8625 -41.8625 -18.8260 -18.8260 -18.1663 -18.1663 -17.8722 -17.8722 7.3209 7.3209 9.4264 9.4264 13.6505 13.6505 15.6539 15.6539 17.5602 17.5602 18.5344 18.5344 20.9350 20.9350 k = 0.0962 0.4159 0.4662 ( 1470 PWs) bands (ev): -41.8617 -41.8617 -18.8233 -18.8233 -18.1703 -18.1703 -17.8778 -17.8778 7.3726 7.3726 9.3991 9.3991 13.5989 13.5989 15.6934 15.6934 17.5524 17.5524 18.5816 18.5816 20.9109 20.9109 k = 0.1010 0.4115 0.4727 ( 1472 PWs) bands (ev): -41.8608 -41.8608 -18.8207 -18.8207 -18.1743 -18.1743 -17.8836 -17.8836 7.4260 7.4260 9.3714 9.3714 13.5469 13.5469 15.7343 15.7343 17.5442 17.5442 18.6308 18.6308 20.8859 20.8859 k = 0.1058 0.4072 0.4792 ( 1474 PWs) bands (ev): -41.8600 -41.8600 -18.8181 -18.8181 -18.1783 -18.1783 -17.8895 -17.8895 7.4807 7.4807 9.3434 9.3434 13.4949 13.4949 15.7765 15.7765 17.5357 17.5357 18.6820 18.6820 20.8601 20.8601 k = 0.1106 0.4029 0.4857 ( 1474 PWs) bands (ev): -41.8591 -41.8591 -18.8155 -18.8155 -18.1823 -18.1823 -17.8956 -17.8956 7.5368 7.5368 9.3151 9.3151 13.4429 13.4429 15.8200 15.8200 17.5271 17.5271 18.7349 18.7349 20.8334 20.8334 k = 0.1154 0.3985 0.4921 ( 1474 PWs) bands (ev): -41.8582 -41.8582 -18.8130 -18.8130 -18.1861 -18.1861 -17.9017 -17.9017 7.5940 7.5940 9.2867 9.2867 13.3912 13.3912 15.8645 15.8645 17.5183 17.5183 18.7895 18.7895 20.8061 20.8061 k = 0.1202 0.3942 0.4986 ( 1474 PWs) bands (ev): -41.8573 -41.8573 -18.8105 -18.8105 -18.1898 -18.1898 -17.9080 -17.9080 7.6521 7.6521 9.2582 9.2582 13.3399 13.3399 15.9099 15.9099 17.5094 17.5094 18.8455 18.8455 20.7780 20.7780 k = 0.1250 0.3899 0.5051 ( 1468 PWs) bands (ev): -41.8564 -41.8564 -18.8081 -18.8081 -18.1933 -18.1933 -17.9144 -17.9144 7.7109 7.7109 9.2298 9.2298 13.2894 13.2894 15.9560 15.9560 17.5006 17.5006 18.9029 18.9029 20.7493 20.7493 k = 0.1298 0.3855 0.5116 ( 1474 PWs) bands (ev): -41.8555 -41.8555 -18.8058 -18.8058 -18.1967 -18.1967 -17.9208 -17.9208 7.7703 7.7703 9.2016 9.2016 13.2396 13.2396 16.0026 16.0026 17.4919 17.4919 18.9614 18.9614 20.7200 20.7200 k = 0.1346 0.3812 0.5180 ( 1474 PWs) bands (ev): -41.8547 -41.8547 -18.8036 -18.8036 -18.1998 -18.1998 -17.9274 -17.9274 7.8300 7.8300 9.1736 9.1736 13.1907 13.1907 16.0495 16.0495 17.4836 17.4836 19.0209 19.0209 20.6902 20.6902 k = 0.1394 0.3768 0.5245 ( 1470 PWs) bands (ev): -41.8538 -41.8538 -18.8015 -18.8015 -18.2027 -18.2027 -17.9339 -17.9339 7.8899 7.8899 9.1460 9.1460 13.1430 13.1430 16.0963 16.0963 17.4758 17.4758 19.0811 19.0811 20.6599 20.6599 k = 0.1442 0.3725 0.5310 ( 1470 PWs) bands (ev): -41.8529 -41.8529 -18.7995 -18.7995 -18.2054 -18.2054 -17.9406 -17.9406 7.9496 7.9496 9.1189 9.1189 13.0965 13.0965 16.1429 16.1429 17.4688 17.4688 19.1419 19.1419 20.6291 20.6291 k = 0.1490 0.3682 0.5375 ( 1472 PWs) bands (ev): -41.8520 -41.8520 -18.7977 -18.7977 -18.2077 -18.2077 -17.9472 -17.9472 8.0091 8.0091 9.0923 9.0923 13.0513 13.0513 16.1889 16.1889 17.4627 17.4627 19.2031 19.2031 20.5980 20.5980 k = 0.1538 0.3638 0.5440 ( 1470 PWs) bands (ev): -41.8512 -41.8512 -18.7960 -18.7960 -18.2098 -18.2098 -17.9539 -17.9539 8.0680 8.0680 9.0663 9.0663 13.0076 13.0076 16.2339 16.2339 17.4579 17.4579 19.2645 19.2645 20.5666 20.5666 k = 0.1587 0.3595 0.5504 ( 1468 PWs) bands (ev): -41.8504 -41.8504 -18.7944 -18.7944 -18.2116 -18.2116 -17.9605 -17.9605 8.1262 8.1262 9.0411 9.0411 12.9654 12.9654 16.2775 16.2775 17.4545 17.4545 19.3257 19.3257 20.5349 20.5349 k = 0.1635 0.3551 0.5569 ( 1466 PWs) bands (ev): -41.8496 -41.8496 -18.7930 -18.7930 -18.2130 -18.2130 -17.9671 -17.9671 8.1833 8.1833 9.0167 9.0167 12.9249 12.9249 16.3195 16.3195 17.4530 17.4530 19.3867 19.3867 20.5031 20.5031 k = 0.1683 0.3508 0.5634 ( 1466 PWs) bands (ev): -41.8488 -41.8488 -18.7918 -18.7918 -18.2141 -18.2141 -17.9737 -17.9737 8.2392 8.2392 8.9931 8.9931 12.8862 12.8862 16.3592 16.3592 17.4535 17.4535 19.4470 19.4470 20.4711 20.4711 k = 0.1731 0.3465 0.5699 ( 1466 PWs) bands (ev): -41.8480 -41.8480 -18.7907 -18.7907 -18.2149 -18.2149 -17.9802 -17.9802 8.2936 8.2936 8.9705 8.9705 12.8493 12.8493 16.3965 16.3965 17.4564 17.4564 19.5065 19.5065 20.4391 20.4391 k = 0.1779 0.3421 0.5763 ( 1466 PWs) bands (ev): -41.8473 -41.8473 -18.7897 -18.7897 -18.2154 -18.2154 -17.9866 -17.9866 8.3463 8.3463 8.9490 8.9490 12.8143 12.8143 16.4308 16.4308 17.4619 17.4619 19.5649 19.5649 20.4072 20.4072 k = 0.1827 0.3378 0.5828 ( 1466 PWs) bands (ev): -41.8466 -41.8466 -18.7889 -18.7889 -18.2156 -18.2156 -17.9929 -17.9929 8.3970 8.3970 8.9285 8.9285 12.7812 12.7812 16.4619 16.4619 17.4700 17.4700 19.6219 19.6219 20.3754 20.3754 k = 0.1875 0.3335 0.5893 ( 1466 PWs) bands (ev): -41.8460 -41.8460 -18.7882 -18.7882 -18.2155 -18.2155 -17.9990 -17.9990 8.4454 8.4454 8.9092 8.9092 12.7502 12.7502 16.4896 16.4896 17.4809 17.4809 19.6771 19.6771 20.3440 20.3440 k = 0.1923 0.3291 0.5958 ( 1462 PWs) bands (ev): -41.8454 -41.8454 -18.7876 -18.7876 -18.2152 -18.2152 -18.0050 -18.0050 8.4914 8.4914 8.8912 8.8912 12.7213 12.7213 16.5138 16.5138 17.4944 17.4944 19.7302 19.7302 20.3130 20.3130 k = 0.1971 0.3248 0.6022 ( 1460 PWs) bands (ev): -41.8448 -41.8448 -18.7871 -18.7871 -18.2146 -18.2146 -18.0107 -18.0107 8.5346 8.5346 8.8744 8.8744 12.6946 12.6946 16.5344 16.5344 17.5103 17.5103 19.7809 19.7809 20.2828 20.2828 k = 0.2019 0.3204 0.6087 ( 1456 PWs) bands (ev): -41.8443 -41.8443 -18.7867 -18.7867 -18.2138 -18.2138 -18.0162 -18.0162 8.5749 8.5749 8.8590 8.8590 12.6700 12.6700 16.5517 16.5517 17.5281 17.5281 19.8289 19.8289 20.2535 20.2535 k = 0.2067 0.3161 0.6152 ( 1460 PWs) bands (ev): -41.8438 -41.8438 -18.7864 -18.7864 -18.2129 -18.2129 -18.0214 -18.0214 8.6120 8.6120 8.8450 8.8450 12.6476 12.6476 16.5658 16.5658 17.5474 17.5474 19.8737 19.8737 20.2253 20.2253 k = 0.2115 0.3118 0.6217 ( 1458 PWs) bands (ev): -41.8433 -41.8433 -18.7862 -18.7862 -18.2119 -18.2119 -18.0262 -18.0262 8.6457 8.6457 8.8325 8.8325 12.6275 12.6275 16.5770 16.5770 17.5674 17.5674 19.9151 19.9151 20.1987 20.1987 k = 0.2163 0.3074 0.6281 ( 1462 PWs) bands (ev): -41.8429 -41.8429 -18.7861 -18.7861 -18.2108 -18.2108 -18.0307 -18.0307 8.6757 8.6757 8.8216 8.8216 12.6097 12.6097 16.5858 16.5858 17.5875 17.5875 19.9526 19.9526 20.1739 20.1739 k = 0.2212 0.3031 0.6346 ( 1464 PWs) bands (ev): -41.8426 -41.8426 -18.7859 -18.7859 -18.2097 -18.2097 -18.0347 -18.0347 8.7017 8.7017 8.8124 8.8124 12.5942 12.5942 16.5924 16.5924 17.6069 17.6069 19.9859 19.9859 20.1514 20.1514 k = 0.2260 0.2987 0.6411 ( 1466 PWs) bands (ev): -41.8423 -41.8423 -18.7859 -18.7859 -18.2086 -18.2086 -18.0382 -18.0382 8.7234 8.7234 8.8052 8.8052 12.5811 12.5811 16.5974 16.5974 17.6248 17.6248 20.0148 20.0148 20.1314 20.1314 k = 0.2308 0.2944 0.6476 ( 1466 PWs) bands (ev): -41.8421 -41.8421 -18.7858 -18.7858 -18.2077 -18.2077 -18.0411 -18.0411 8.7403 8.7403 8.8003 8.8003 12.5703 12.5703 16.6009 16.6009 17.6406 17.6406 20.0388 20.0388 20.1145 20.1145 k = 0.2356 0.2901 0.6540 ( 1472 PWs) bands (ev): -41.8419 -41.8419 -18.7858 -18.7858 -18.2069 -18.2069 -18.0435 -18.0435 8.7520 8.7520 8.7981 8.7981 12.5619 12.5619 16.6033 16.6033 17.6536 17.6536 20.0578 20.0578 20.1009 20.1009 k = 0.2404 0.2857 0.6605 ( 1472 PWs) bands (ev): -41.8417 -41.8417 -18.7858 -18.7858 -18.2063 -18.2063 -18.0452 -18.0452 8.7586 8.7586 8.7982 8.7982 12.5559 12.5559 16.6049 16.6049 17.6633 17.6633 20.0714 20.0714 20.0910 20.0910 k = 0.2452 0.2814 0.6670 ( 1480 PWs) bands (ev): -41.8417 -41.8417 -18.7858 -18.7858 -18.2059 -18.2059 -18.0463 -18.0463 8.7615 8.7615 8.7995 8.7995 12.5523 12.5523 16.6057 16.6057 17.6692 17.6692 20.0793 20.0793 20.0853 20.0853 k = 0.2500 0.2771 0.6735 ( 1484 PWs) bands (ev): -41.8416 -41.8416 -18.7858 -18.7858 -18.2058 -18.2058 -18.0466 -18.0466 8.7623 8.7623 8.8001 8.8001 12.5511 12.5511 16.6060 16.6060 17.6712 17.6712 20.0810 20.0810 20.0844 20.0844 k = 0.2500 0.2771 0.6735 ( 1484 PWs) bands (ev): -41.8416 -41.8416 -18.7858 -18.7858 -18.2058 -18.2058 -18.0466 -18.0466 8.7623 8.7623 8.8001 8.8001 12.5511 12.5511 16.6060 16.6060 17.6712 17.6712 20.0810 20.0810 20.0844 20.0844 k = 0.2541 0.2816 0.6667 ( 1478 PWs) bands (ev): -41.8417 -41.8417 -18.7858 -18.7858 -18.2058 -18.2058 -18.0464 -18.0464 8.7594 8.7594 8.8023 8.8023 12.5505 12.5505 16.6071 16.6071 17.6701 17.6701 20.0344 20.0344 20.1310 20.1310 k = 0.2582 0.2861 0.6599 ( 1476 PWs) bands (ev): -41.8417 -41.8417 -18.7860 -18.7860 -18.2061 -18.2061 -18.0456 -18.0456 8.7522 8.7522 8.8078 8.8078 12.5487 12.5487 16.6107 16.6107 17.6669 17.6669 19.9877 19.9877 20.1776 20.1776 k = 0.2623 0.2907 0.6531 ( 1470 PWs) bands (ev): -41.8418 -41.8418 -18.7863 -18.7863 -18.2065 -18.2065 -18.0442 -18.0442 8.7420 8.7420 8.8152 8.8152 12.5457 12.5457 16.6165 16.6165 17.6615 17.6615 19.9441 19.9441 20.2201 20.2201 k = 0.2664 0.2952 0.6463 ( 1468 PWs) bands (ev): -41.8418 -41.8418 -18.7867 -18.7867 -18.2072 -18.2072 -18.0423 -18.0423 8.7300 8.7300 8.8236 8.8236 12.5415 12.5415 16.6246 16.6246 17.6542 17.6542 19.9037 19.9037 20.2580 20.2580 k = 0.2705 0.2998 0.6396 ( 1463 PWs) bands (ev): -41.8419 -41.8419 -18.7873 -18.7873 -18.2081 -18.2081 -18.0398 -18.0398 8.7168 8.7168 8.8325 8.8325 12.5360 12.5360 16.6347 16.6347 17.6452 17.6452 19.8665 19.8665 20.2910 20.2910 k = 0.2746 0.3043 0.6328 ( 1462 PWs) bands (ev): -41.8421 -41.8421 -18.7880 -18.7880 -18.2092 -18.2092 -18.0368 -18.0368 8.7029 8.7029 8.8416 8.8416 12.5293 12.5293 16.6467 16.6467 17.6344 17.6344 19.8323 19.8323 20.3186 20.3186 k = 0.2787 0.3089 0.6260 ( 1465 PWs) bands (ev): -41.8422 -41.8422 -18.7889 -18.7889 -18.2105 -18.2105 -18.0335 -18.0335 8.6885 8.6885 8.8506 8.8506 12.5216 12.5216 16.6602 16.6602 17.6223 17.6223 19.8011 19.8011 20.3409 20.3409 k = 0.2828 0.3134 0.6192 ( 1465 PWs) bands (ev): -41.8423 -41.8423 -18.7898 -18.7898 -18.2119 -18.2119 -18.0297 -18.0297 8.6740 8.6740 8.8594 8.8594 12.5130 12.5130 16.6751 16.6751 17.6089 17.6089 19.7729 19.7729 20.3577 20.3577 k = 0.2869 0.3179 0.6124 ( 1465 PWs) bands (ev): -41.8424 -41.8424 -18.7908 -18.7908 -18.2136 -18.2136 -18.0256 -18.0256 8.6595 8.6595 8.8679 8.8679 12.5036 12.5036 16.6909 16.6909 17.5945 17.5945 19.7474 19.7474 20.3694 20.3694 k = 0.2910 0.3225 0.6057 ( 1465 PWs) bands (ev): -41.8425 -41.8425 -18.7919 -18.7919 -18.2153 -18.2153 -18.0213 -18.0213 8.6453 8.6453 8.8758 8.8758 12.4935 12.4935 16.7075 16.7075 17.5794 17.5794 19.7245 19.7245 20.3763 20.3763 k = 0.2951 0.3270 0.5989 ( 1465 PWs) bands (ev): -41.8427 -41.8427 -18.7931 -18.7931 -18.2172 -18.2172 -18.0167 -18.0167 8.6316 8.6316 8.8833 8.8833 12.4829 12.4829 16.7243 16.7243 17.5637 17.5637 19.7042 19.7042 20.3788 20.3788 k = 0.2992 0.3316 0.5921 ( 1463 PWs) bands (ev): -41.8428 -41.8428 -18.7943 -18.7943 -18.2191 -18.2191 -18.0121 -18.0121 8.6186 8.6186 8.8900 8.8900 12.4720 12.4720 16.7411 16.7411 17.5478 17.5478 19.6862 19.6862 20.3774 20.3774 k = 0.3033 0.3361 0.5853 ( 1463 PWs) bands (ev): -41.8429 -41.8429 -18.7956 -18.7956 -18.2211 -18.2211 -18.0074 -18.0074 8.6064 8.6064 8.8959 8.8959 12.4610 12.4610 16.7574 16.7574 17.5319 17.5319 19.6704 19.6704 20.3727 20.3727 k = 0.3074 0.3406 0.5785 ( 1463 PWs) bands (ev): -41.8429 -41.8429 -18.7969 -18.7969 -18.2232 -18.2232 -18.0027 -18.0027 8.5952 8.5952 8.9010 8.9010 12.4499 12.4499 16.7729 16.7729 17.5163 17.5163 19.6567 19.6567 20.3654 20.3654 k = 0.3115 0.3452 0.5718 ( 1467 PWs) bands (ev): -41.8430 -41.8430 -18.7982 -18.7982 -18.2252 -18.2252 -17.9980 -17.9980 8.5851 8.5851 8.9050 8.9050 12.4390 12.4390 16.7872 16.7872 17.5011 17.5011 19.6448 19.6448 20.3559 20.3559 k = 0.3156 0.3497 0.5650 ( 1467 PWs) bands (ev): -41.8430 -41.8430 -18.7995 -18.7995 -18.2273 -18.2273 -17.9935 -17.9935 8.5764 8.5764 8.9080 8.9080 12.4283 12.4283 16.8000 16.8000 17.4867 17.4867 19.6348 19.6348 20.3449 20.3449 k = 0.3197 0.3543 0.5582 ( 1465 PWs) bands (ev): -41.8430 -41.8430 -18.8008 -18.8008 -18.2293 -18.2293 -17.9891 -17.9891 8.5690 8.5690 8.9099 8.9099 12.4181 12.4181 16.8108 16.8108 17.4732 17.4732 19.6263 19.6263 20.3330 20.3330 k = 0.3238 0.3588 0.5514 ( 1466 PWs) bands (ev): -41.8430 -41.8430 -18.8021 -18.8021 -18.2313 -18.2313 -17.9849 -17.9849 8.5631 8.5631 8.9105 8.9105 12.4085 12.4085 16.8194 16.8194 17.4608 17.4608 19.6194 19.6194 20.3205 20.3205 k = 0.3279 0.3634 0.5446 ( 1466 PWs) bands (ev): -41.8430 -41.8430 -18.8034 -18.8034 -18.2332 -18.2332 -17.9810 -17.9810 8.5590 8.5590 8.9099 8.9099 12.3995 12.3995 16.8254 16.8254 17.4498 17.4498 19.6139 19.6139 20.3081 20.3081 k = 0.3320 0.3679 0.5379 ( 1468 PWs) bands (ev): -41.8429 -41.8429 -18.8046 -18.8046 -18.2350 -18.2350 -17.9773 -17.9773 8.5565 8.5565 8.9079 8.9079 12.3913 12.3913 16.8285 16.8285 17.4403 17.4403 19.6096 19.6096 20.2960 20.2960 k = 0.3361 0.3724 0.5311 ( 1469 PWs) bands (ev): -41.8428 -41.8428 -18.8058 -18.8058 -18.2368 -18.2368 -17.9740 -17.9740 8.5559 8.5559 8.9044 8.9044 12.3839 12.3839 16.8286 16.8286 17.4325 17.4325 19.6064 19.6064 20.2847 20.2847 k = 0.3402 0.3770 0.5243 ( 1469 PWs) bands (ev): -41.8426 -41.8426 -18.8069 -18.8069 -18.2385 -18.2385 -17.9711 -17.9711 8.5572 8.5572 8.8996 8.8996 12.3775 12.3775 16.8254 16.8254 17.4266 17.4266 19.6044 19.6044 20.2745 20.2745 k = 0.3443 0.3815 0.5175 ( 1473 PWs) bands (ev): -41.8425 -41.8425 -18.8079 -18.8079 -18.2401 -18.2401 -17.9685 -17.9685 8.5605 8.5605 8.8932 8.8932 12.3721 12.3721 16.8187 16.8187 17.4226 17.4226 19.6033 19.6033 20.2654 20.2654 k = 0.3484 0.3861 0.5107 ( 1471 PWs) bands (ev): -41.8422 -41.8422 -18.8089 -18.8089 -18.2416 -18.2416 -17.9663 -17.9663 8.5659 8.5659 8.8854 8.8854 12.3678 12.3678 16.8085 16.8085 17.4206 17.4206 19.6031 19.6031 20.2579 20.2579 k = 0.3525 0.3906 0.5040 ( 1473 PWs) bands (ev): -41.8420 -41.8420 -18.8098 -18.8098 -18.2429 -18.2429 -17.9645 -17.9645 8.5734 8.5734 8.8760 8.8760 12.3645 12.3645 16.7948 16.7948 17.4208 17.4208 19.6038 19.6038 20.2518 20.2518 k = 0.3566 0.3951 0.4972 ( 1473 PWs) bands (ev): -41.8417 -41.8417 -18.8106 -18.8106 -18.2442 -18.2442 -17.9632 -17.9632 8.5830 8.5830 8.8651 8.8651 12.3623 12.3623 16.7775 16.7775 17.4233 17.4233 19.6052 19.6052 20.2473 20.2473 k = 0.3607 0.3997 0.4904 ( 1471 PWs) bands (ev): -41.8414 -41.8414 -18.8114 -18.8114 -18.2453 -18.2453 -17.9624 -17.9624 8.5948 8.5948 8.8526 8.8526 12.3612 12.3612 16.7567 16.7567 17.4280 17.4280 19.6075 19.6075 20.2443 20.2443 k = 0.3648 0.4042 0.4836 ( 1469 PWs) bands (ev): -41.8410 -41.8410 -18.8121 -18.8121 -18.2464 -18.2464 -17.9619 -17.9619 8.6088 8.6088 8.8387 8.8387 12.3612 12.3612 16.7325 16.7325 17.4350 17.4350 19.6104 19.6104 20.2428 20.2428 k = 0.3689 0.4088 0.4769 ( 1469 PWs) bands (ev): -41.8406 -41.8406 -18.8127 -18.8127 -18.2473 -18.2473 -17.9620 -17.9620 8.6251 8.6251 8.8232 8.8232 12.3623 12.3623 16.7052 16.7052 17.4443 17.4443 19.6139 19.6139 20.2425 20.2425 k = 0.3730 0.4133 0.4701 ( 1467 PWs) bands (ev): -41.8401 -41.8401 -18.8132 -18.8132 -18.2481 -18.2481 -17.9625 -17.9625 8.6435 8.6435 8.8064 8.8064 12.3643 12.3643 16.6749 16.6749 17.4559 17.4559 19.6182 19.6182 20.2434 20.2434 k = 0.3770 0.4179 0.4633 ( 1471 PWs) bands (ev): -41.8396 -41.8396 -18.8136 -18.8136 -18.2488 -18.2488 -17.9635 -17.9635 8.6639 8.6639 8.7883 8.7883 12.3673 12.3673 16.6419 16.6419 17.4699 17.4699 19.6231 19.6231 20.2451 20.2451 k = 0.3811 0.4224 0.4565 ( 1471 PWs) bands (ev): -41.8391 -41.8391 -18.8140 -18.8140 -18.2493 -18.2493 -17.9649 -17.9649 8.6861 8.6861 8.7693 8.7693 12.3712 12.3712 16.6065 16.6065 17.4861 17.4861 19.6286 19.6286 20.2473 20.2473 k = 0.3852 0.4269 0.4497 ( 1471 PWs) bands (ev): -41.8385 -41.8385 -18.8143 -18.8143 -18.2497 -18.2497 -17.9668 -17.9668 8.7079 8.7079 8.7514 8.7514 12.3759 12.3759 16.5690 16.5690 17.5045 17.5045 19.6348 19.6348 20.2498 20.2498 k = 0.3893 0.4315 0.4430 ( 1469 PWs) bands (ev): -41.8379 -41.8379 -18.8145 -18.8145 -18.2501 -18.2501 -17.9691 -17.9691 8.7136 8.7136 8.7507 8.7507 12.3813 12.3813 16.5299 16.5299 17.5250 17.5250 19.6416 19.6416 20.2523 20.2523 k = 0.3934 0.4360 0.4362 ( 1471 PWs) bands (ev): -41.8373 -41.8373 -18.8147 -18.8147 -18.2503 -18.2503 -17.9718 -17.9718 8.6949 8.6949 8.7752 8.7752 12.3871 12.3871 16.4896 16.4896 17.5476 17.5476 19.6491 19.6491 20.2543 20.2543 k = 0.3975 0.4406 0.4294 ( 1471 PWs) bands (ev): -41.8366 -41.8366 -18.8148 -18.8148 -18.2504 -18.2504 -17.9749 -17.9749 8.6710 8.6710 8.8058 8.8058 12.3934 12.3934 16.4483 16.4483 17.5720 17.5720 19.6574 19.6574 20.2555 20.2555 k = 0.4016 0.4451 0.4226 ( 1473 PWs) bands (ev): -41.8359 -41.8359 -18.8148 -18.8148 -18.2504 -18.2504 -17.9784 -17.9784 8.6453 8.6453 8.8393 8.8393 12.3999 12.3999 16.4067 16.4067 17.5983 17.5983 19.6664 19.6664 20.2555 20.2555 k = 0.4057 0.4497 0.4158 ( 1475 PWs) bands (ev): -41.8351 -41.8351 -18.8148 -18.8148 -18.2503 -18.2503 -17.9822 -17.9822 8.6182 8.6182 8.8751 8.8751 12.4063 12.4063 16.3651 16.3651 17.6262 17.6262 19.6763 19.6763 20.2540 20.2540 k = 0.4098 0.4542 0.4091 ( 1477 PWs) bands (ev): -41.8343 -41.8343 -18.8148 -18.8148 -18.2501 -18.2501 -17.9863 -17.9863 8.5901 8.5901 8.9129 8.9129 12.4127 12.4127 16.3241 16.3241 17.6556 17.6556 19.6871 19.6871 20.2506 20.2506 k = 0.4139 0.4587 0.4023 ( 1477 PWs) bands (ev): -41.8335 -41.8335 -18.8147 -18.8147 -18.2498 -18.2498 -17.9907 -17.9907 8.5610 8.5610 8.9527 8.9527 12.4186 12.4186 16.2840 16.2840 17.6863 17.6863 19.6990 19.6990 20.2449 20.2449 k = 0.4180 0.4633 0.3955 ( 1475 PWs) bands (ev): -41.8327 -41.8327 -18.8146 -18.8146 -18.2495 -18.2495 -17.9954 -17.9954 8.5312 8.5312 8.9943 8.9943 12.4238 12.4238 16.2454 16.2454 17.7181 17.7181 19.7120 19.7120 20.2367 20.2367 k = 0.4221 0.4678 0.3887 ( 1475 PWs) bands (ev): -41.8319 -41.8319 -18.8145 -18.8145 -18.2490 -18.2490 -18.0003 -18.0003 8.5006 8.5006 9.0375 9.0375 12.4282 12.4282 16.2087 16.2087 17.7507 17.7507 19.7262 19.7262 20.2256 20.2256 k = 0.4262 0.4724 0.3819 ( 1473 PWs) bands (ev): -41.8310 -41.8310 -18.8144 -18.8144 -18.2486 -18.2486 -18.0053 -18.0053 8.4694 8.4694 9.0824 9.0824 12.4315 12.4315 16.1744 16.1744 17.7839 17.7839 19.7419 19.7419 20.2113 20.2113 k = 0.4303 0.4769 0.3752 ( 1471 PWs) bands (ev): -41.8301 -41.8301 -18.8143 -18.8143 -18.2480 -18.2480 -18.0105 -18.0105 8.4378 8.4378 9.1288 9.1288 12.4333 12.4333 16.1430 16.1430 17.8174 17.8174 19.7591 19.7591 20.1937 20.1937 k = 0.4344 0.4814 0.3684 ( 1467 PWs) bands (ev): -41.8292 -41.8292 -18.8142 -18.8142 -18.2475 -18.2475 -18.0158 -18.0158 8.4057 8.4057 9.1765 9.1765 12.4335 12.4335 16.1149 16.1149 17.8510 17.8510 19.7781 19.7781 20.1725 20.1725 k = 0.4385 0.4860 0.3616 ( 1469 PWs) bands (ev): -41.8283 -41.8283 -18.8142 -18.8142 -18.2469 -18.2469 -18.0211 -18.0211 8.3734 8.3734 9.2253 9.2253 12.4318 12.4318 16.0906 16.0906 17.8844 17.8844 19.7990 19.7990 20.1477 20.1477 k = 0.4426 0.4905 0.3548 ( 1467 PWs) bands (ev): -41.8274 -41.8274 -18.8142 -18.8142 -18.2463 -18.2463 -18.0264 -18.0264 8.3409 8.3409 9.2753 9.2753 12.4280 12.4280 16.0704 16.0704 17.9172 17.9172 19.8220 19.8220 20.1192 20.1192 k = 0.4467 0.4951 0.3480 ( 1473 PWs) bands (ev): -41.8265 -41.8265 -18.8142 -18.8142 -18.2457 -18.2457 -18.0317 -18.0317 8.3083 8.3083 9.3261 9.3261 12.4219 12.4219 16.0547 16.0547 17.9492 17.9492 19.8474 19.8474 20.0869 20.0869 k = 0.4508 0.4996 0.3413 ( 1474 PWs) bands (ev): -41.8256 -41.8256 -18.8143 -18.8143 -18.2451 -18.2451 -18.0369 -18.0369 8.2758 8.2758 9.3776 9.3776 12.4133 12.4133 16.0437 16.0437 17.9799 17.9799 19.8754 19.8754 20.0510 20.0510 k = 0.4549 0.5042 0.3345 ( 1474 PWs) bands (ev): -41.8247 -41.8247 -18.8144 -18.8144 -18.2445 -18.2445 -18.0419 -18.0419 8.2434 8.2434 9.4297 9.4297 12.4022 12.4022 16.0378 16.0378 18.0091 18.0091 19.9061 19.9061 20.0115 20.0115 k = 0.4590 0.5087 0.3277 ( 1474 PWs) bands (ev): -41.8238 -41.8238 -18.8146 -18.8146 -18.2440 -18.2440 -18.0468 -18.0468 8.2112 8.2112 9.4821 9.4821 12.3884 12.3884 16.0370 16.0370 18.0365 18.0365 19.9393 19.9393 19.9693 19.9693 k = 0.4631 0.5132 0.3209 ( 1474 PWs) bands (ev): -41.8229 -41.8229 -18.8149 -18.8149 -18.2435 -18.2435 -18.0515 -18.0515 8.1793 8.1793 9.5345 9.5345 12.3721 12.3721 16.0416 16.0416 18.0618 18.0618 19.9215 19.9215 19.9779 19.9779 k = 0.4672 0.5178 0.3141 ( 1473 PWs) bands (ev): -41.8221 -41.8221 -18.8153 -18.8153 -18.2431 -18.2431 -18.0559 -18.0559 8.1479 8.1479 9.5868 9.5868 12.3532 12.3532 16.0515 16.0515 18.0846 18.0846 19.8725 19.8725 20.0181 20.0181 k = 0.4713 0.5223 0.3074 ( 1468 PWs) bands (ev): -41.8212 -41.8212 -18.8158 -18.8158 -18.2427 -18.2427 -18.0600 -18.0600 8.1170 8.1170 9.6386 9.6386 12.3319 12.3319 16.0668 16.0668 18.1048 18.1048 19.8206 19.8206 20.0622 20.0622 k = 0.4754 0.5269 0.3006 ( 1470 PWs) bands (ev): -41.8204 -41.8204 -18.8163 -18.8163 -18.2424 -18.2424 -18.0637 -18.0637 8.0867 8.0867 9.6897 9.6897 12.3086 12.3086 16.0872 16.0872 18.1221 18.1221 19.7662 19.7662 20.1100 20.1100 k = 0.4795 0.5314 0.2938 ( 1472 PWs) bands (ev): -41.8196 -41.8196 -18.8170 -18.8170 -18.2422 -18.2422 -18.0672 -18.0672 8.0571 8.0571 9.7397 9.7397 12.2834 12.2834 16.1127 16.1127 18.1363 18.1363 19.7096 19.7096 20.1616 20.1616 k = 0.4836 0.5359 0.2870 ( 1470 PWs) bands (ev): -41.8188 -41.8188 -18.8177 -18.8177 -18.2420 -18.2420 -18.0702 -18.0702 8.0284 8.0284 9.7882 9.7882 12.2568 12.2568 16.1429 16.1429 18.1473 18.1473 19.6512 19.6512 20.2172 20.2172 k = 0.4877 0.5405 0.2802 ( 1472 PWs) bands (ev): -41.8181 -41.8181 -18.8185 -18.8185 -18.2419 -18.2419 -18.0729 -18.0729 8.0005 8.0005 9.8348 9.8348 12.2292 12.2292 16.1776 16.1776 18.1551 18.1551 19.5913 19.5913 20.2767 20.2767 k = 0.4918 0.5450 0.2735 ( 1472 PWs) bands (ev): -41.8174 -41.8174 -18.8194 -18.8194 -18.2419 -18.2419 -18.0751 -18.0751 7.9735 7.9735 9.8791 9.8791 12.2013 12.2013 16.2164 16.2164 18.1594 18.1594 19.5302 19.5302 20.3401 20.3401 k = 0.4959 0.5496 0.2667 ( 1472 PWs) bands (ev): -41.8168 -41.8168 -18.8204 -18.8204 -18.2419 -18.2419 -18.0770 -18.0770 7.9476 7.9476 9.9205 9.9205 12.1736 12.1736 16.2588 16.2588 18.1604 18.1604 19.4683 19.4683 20.4073 20.4073 k = 0.5000 0.5541 0.2599 ( 1472 PWs) bands (ev): -41.8162 -41.8162 -18.8214 -18.8214 -18.2420 -18.2420 -18.0785 -18.0785 7.9229 7.9229 9.9584 9.9584 12.1468 12.1468 16.3045 16.3045 18.1581 18.1581 19.4058 19.4058 20.4784 20.4784 k = 0.5000 0.5541 0.2599 ( 1472 PWs) bands (ev): -41.8162 -41.8162 -18.8214 -18.8214 -18.2420 -18.2420 -18.0785 -18.0785 7.9229 7.9229 9.9584 9.9584 12.1468 12.1468 16.3045 16.3045 18.1581 18.1581 19.4058 19.4058 20.4784 20.4784 k = 0.5000 0.5541 0.2509 ( 1472 PWs) bands (ev): -41.8154 -41.8154 -18.8228 -18.8228 -18.2421 -18.2421 -18.0800 -18.0800 7.8913 7.8913 10.0058 10.0058 12.1112 12.1112 16.3689 16.3689 18.1528 18.1528 19.3239 19.3239 20.5751 20.5751 k = 0.5000 0.5541 0.2420 ( 1472 PWs) bands (ev): -41.8147 -41.8147 -18.8245 -18.8245 -18.2422 -18.2422 -18.0812 -18.0812 7.8605 7.8605 10.0529 10.0529 12.0735 12.0735 16.4375 16.4375 18.1476 18.1476 19.2440 19.2440 20.6722 20.6722 k = 0.5000 0.5541 0.2330 ( 1476 PWs) bands (ev): -41.8140 -41.8140 -18.8262 -18.8262 -18.2424 -18.2424 -18.0822 -18.0822 7.8304 7.8304 10.0995 10.0995 12.0343 12.0343 16.5095 16.5095 18.1425 18.1425 19.1660 19.1660 20.7698 20.7698 k = 0.5000 0.5541 0.2240 ( 1476 PWs) bands (ev): -41.8133 -41.8133 -18.8280 -18.8280 -18.2427 -18.2427 -18.0828 -18.0828 7.8013 7.8013 10.1456 10.1456 11.9939 11.9939 16.5844 16.5844 18.1375 18.1375 19.0900 19.0900 20.8677 20.8677 k = 0.5000 0.5541 0.2151 ( 1480 PWs) bands (ev): -41.8126 -41.8126 -18.8300 -18.8300 -18.2430 -18.2430 -18.0833 -18.0833 7.7730 7.7730 10.1910 10.1910 11.9527 11.9527 16.6616 16.6616 18.1327 18.1327 19.0162 19.0162 20.9660 20.9660 k = 0.5000 0.5541 0.2061 ( 1484 PWs) bands (ev): -41.8119 -41.8119 -18.8320 -18.8320 -18.2434 -18.2434 -18.0834 -18.0834 7.7456 7.7456 10.2356 10.2356 11.9110 11.9110 16.7406 16.7406 18.1279 18.1279 18.9445 18.9445 21.0645 21.0645 k = 0.5000 0.5541 0.1972 ( 1482 PWs) bands (ev): -41.8113 -41.8113 -18.8341 -18.8341 -18.2438 -18.2438 -18.0834 -18.0834 7.7191 7.7191 10.2794 10.2794 11.8692 11.8692 16.8209 16.8209 18.1233 18.1233 18.8751 18.8751 21.1632 21.1632 k = 0.5000 0.5541 0.1882 ( 1486 PWs) bands (ev): -41.8106 -41.8106 -18.8363 -18.8363 -18.2443 -18.2443 -18.0831 -18.0831 7.6937 7.6937 10.3222 10.3222 11.8276 11.8276 16.9017 16.9017 18.1189 18.1189 18.8080 18.8080 21.2621 21.2621 k = 0.5000 0.5541 0.1792 ( 1486 PWs) bands (ev): -41.8100 -41.8100 -18.8384 -18.8384 -18.2449 -18.2449 -18.0826 -18.0826 7.6692 7.6692 10.3640 10.3640 11.7864 11.7864 16.9828 16.9828 18.1146 18.1146 18.7433 18.7433 21.3610 21.3610 k = 0.5000 0.5541 0.1703 ( 1486 PWs) bands (ev): -41.8094 -41.8094 -18.8406 -18.8406 -18.2455 -18.2455 -18.0819 -18.0819 7.6457 7.6457 10.4046 10.4046 11.7460 11.7460 17.0635 17.0635 18.1104 18.1104 18.6810 18.6810 21.4599 21.4599 k = 0.5000 0.5541 0.1613 ( 1482 PWs) bands (ev): -41.8089 -41.8089 -18.8428 -18.8428 -18.2462 -18.2462 -18.0811 -18.0811 7.6233 7.6233 10.4440 10.4440 11.7065 11.7065 17.1433 17.1433 18.1064 18.1064 18.6213 18.6213 21.5587 21.5587 k = 0.5000 0.5541 0.1524 ( 1488 PWs) bands (ev): -41.8083 -41.8083 -18.8450 -18.8450 -18.2469 -18.2469 -18.0802 -18.0802 7.6020 7.6020 10.4820 10.4820 11.6681 11.6681 17.2218 17.2218 18.1026 18.1026 18.5642 18.5642 21.6572 21.6572 k = 0.5000 0.5541 0.1434 ( 1492 PWs) bands (ev): -41.8078 -41.8078 -18.8471 -18.8471 -18.2476 -18.2476 -18.0792 -18.0792 7.5818 7.5818 10.5185 10.5185 11.6311 11.6311 17.2986 17.2986 18.0989 18.0989 18.5098 18.5098 21.7554 21.7554 k = 0.5000 0.5541 0.1344 ( 1492 PWs) bands (ev): -41.8074 -41.8074 -18.8492 -18.8492 -18.2483 -18.2483 -18.0781 -18.0781 7.5627 7.5627 10.5534 10.5534 11.5956 11.5956 17.3731 17.3731 18.0955 18.0955 18.4583 18.4583 21.8530 21.8530 k = 0.5000 0.5541 0.1255 ( 1494 PWs) bands (ev): -41.8069 -41.8069 -18.8512 -18.8512 -18.2491 -18.2491 -18.0769 -18.0769 7.5447 7.5447 10.5867 10.5867 11.5618 11.5618 17.4449 17.4449 18.0922 18.0922 18.4095 18.4095 21.9499 21.9499 k = 0.5000 0.5541 0.1165 ( 1496 PWs) bands (ev): -41.8065 -41.8065 -18.8531 -18.8531 -18.2498 -18.2498 -18.0757 -18.0757 7.5279 7.5279 10.6182 10.6182 11.5297 11.5297 17.5137 17.5137 18.0891 18.0891 18.3638 18.3638 22.0457 22.0457 k = 0.5000 0.5541 0.1075 ( 1496 PWs) bands (ev): -41.8061 -41.8061 -18.8550 -18.8550 -18.2506 -18.2506 -18.0745 -18.0745 7.5123 7.5123 10.6478 10.6478 11.4996 11.4996 17.5790 17.5790 18.0862 18.0862 18.3211 18.3211 22.1403 22.1403 k = 0.5000 0.5541 0.0986 ( 1492 PWs) bands (ev): -41.8057 -41.8057 -18.8567 -18.8567 -18.2513 -18.2513 -18.0733 -18.0733 7.4978 7.4978 10.6754 10.6754 11.4716 11.4716 17.6404 17.6404 18.0834 18.0834 18.2815 18.2815 22.2333 22.2333 k = 0.5000 0.5541 0.0896 ( 1492 PWs) bands (ev): -41.8054 -41.8054 -18.8583 -18.8583 -18.2519 -18.2519 -18.0722 -18.0722 7.4846 7.4846 10.7010 10.7010 11.4456 11.4456 17.6977 17.6977 18.0809 18.0809 18.2451 18.2451 22.3240 22.3240 k = 0.5000 0.5541 0.0807 ( 1492 PWs) bands (ev): -41.8050 -41.8050 -18.8598 -18.8598 -18.2525 -18.2525 -18.0711 -18.0711 7.4726 7.4726 10.7244 10.7244 11.4219 11.4219 17.7506 17.7506 18.0785 18.0785 18.2121 18.2121 22.4119 22.4119 k = 0.5000 0.5541 0.0717 ( 1484 PWs) bands (ev): -41.8048 -41.8048 -18.8612 -18.8612 -18.2531 -18.2531 -18.0701 -18.0701 7.4618 7.4618 10.7456 10.7456 11.4005 11.4005 17.7986 17.7986 18.0763 18.0763 18.1824 18.1824 22.4962 22.4962 k = 0.5000 0.5541 0.0627 ( 1482 PWs) bands (ev): -41.8045 -41.8045 -18.8625 -18.8625 -18.2537 -18.2537 -18.0691 -18.0691 7.4522 7.4522 10.7645 10.7645 11.3815 11.3815 17.8415 17.8415 18.0742 18.0742 18.1563 18.1563 22.5757 22.5757 k = 0.5000 0.5541 0.0538 ( 1482 PWs) bands (ev): -41.8043 -41.8043 -18.8635 -18.8635 -18.2541 -18.2541 -18.0683 -18.0683 7.4440 7.4440 10.7810 10.7810 11.3649 11.3649 17.8791 17.8791 18.0720 18.0720 18.1340 18.1340 22.6491 22.6491 k = 0.5000 0.5541 0.0448 ( 1482 PWs) bands (ev): -41.8041 -41.8041 -18.8645 -18.8645 -18.2545 -18.2545 -18.0676 -18.0676 7.4369 7.4369 10.7951 10.7951 11.3507 11.3507 17.9112 17.9112 18.0697 18.0697 18.1155 18.1155 22.7144 22.7144 k = 0.5000 0.5541 0.0358 ( 1482 PWs) bands (ev): -41.8040 -41.8040 -18.8652 -18.8652 -18.2549 -18.2549 -18.0669 -18.0669 7.4312 7.4312 10.8067 10.8067 11.3391 11.3391 17.9376 17.9376 18.0668 18.0668 18.1015 18.1015 22.7692 22.7692 k = 0.5000 0.5541 0.0269 ( 1478 PWs) bands (ev): -41.8039 -41.8039 -18.8658 -18.8658 -18.2551 -18.2551 -18.0665 -18.0665 7.4267 7.4267 10.8157 10.8157 11.3300 11.3300 17.9581 17.9581 18.0633 18.0633 18.0919 18.0919 22.8106 22.8106 k = 0.5000 0.5541 0.0179 ( 1470 PWs) bands (ev): -41.8038 -41.8038 -18.8663 -18.8663 -18.2553 -18.2553 -18.0661 -18.0661 7.4235 7.4235 10.8222 10.8222 11.3235 11.3235 17.9727 17.9727 18.0596 18.0596 18.0864 18.0864 22.8374 22.8374 k = 0.5000 0.5541 0.0090 ( 1466 PWs) bands (ev): -41.8037 -41.8037 -18.8665 -18.8665 -18.2554 -18.2554 -18.0659 -18.0659 7.4216 7.4216 10.8261 10.8261 11.3196 11.3196 17.9815 17.9815 18.0567 18.0567 18.0838 18.0838 22.8513 22.8513 k = 0.5000 0.5541-0.0000 ( 1474 PWs) bands (ev): -41.8037 -41.8037 -18.8666 -18.8666 -18.2555 -18.2555 -18.0658 -18.0658 7.4209 7.4209 10.8275 10.8275 11.3183 11.3183 17.9844 17.9844 18.0556 18.0556 18.0830 18.0830 22.8555 22.8555 k = 0.0000 0.0000 0.6735 ( 1480 PWs) bands (ev): -41.8426 -41.8426 -18.8851 -18.8851 -18.1968 -18.1968 -17.9263 -17.9263 8.5157 8.5157 9.2129 9.2129 11.2451 11.2451 17.6582 17.6582 17.9191 17.9191 18.3366 18.3366 23.3793 23.3793 k = 0.0061 0.0068 0.6735 ( 1480 PWs) bands (ev): -41.8426 -41.8426 -18.8850 -18.8850 -18.1968 -18.1968 -17.9264 -17.9264 8.5158 8.5158 9.2125 9.2125 11.2465 11.2465 17.6582 17.6582 17.9179 17.9179 18.3378 18.3378 23.3781 23.3781 k = 0.0122 0.0135 0.6735 ( 1480 PWs) bands (ev): -41.8426 -41.8426 -18.8846 -18.8846 -18.1969 -18.1969 -17.9269 -17.9269 8.5163 8.5163 9.2114 9.2114 11.2509 11.2509 17.6583 17.6583 17.9143 17.9143 18.3413 18.3413 23.3747 23.3747 k = 0.0183 0.0203 0.6735 ( 1480 PWs) bands (ev): -41.8426 -41.8426 -18.8839 -18.8839 -18.1970 -18.1970 -17.9276 -17.9276 8.5170 8.5170 9.2094 9.2094 11.2582 11.2582 17.6584 17.6584 17.9083 17.9083 18.3472 18.3472 23.3691 23.3691 k = 0.0244 0.0270 0.6735 ( 1480 PWs) bands (ev): -41.8426 -41.8426 -18.8830 -18.8830 -18.1972 -18.1972 -17.9287 -17.9287 8.5179 8.5179 9.2068 9.2068 11.2683 11.2683 17.6585 17.6585 17.8999 17.8999 18.3553 18.3553 23.3611 23.3611 k = 0.0305 0.0338 0.6735 ( 1480 PWs) bands (ev): -41.8426 -41.8426 -18.8819 -18.8819 -18.1973 -18.1973 -17.9300 -17.9300 8.5192 8.5192 9.2033 9.2033 11.2813 11.2813 17.6586 17.6586 17.8890 17.8890 18.3658 18.3658 23.3508 23.3508 k = 0.0366 0.0405 0.6735 ( 1476 PWs) bands (ev): -41.8425 -41.8425 -18.8805 -18.8805 -18.1976 -18.1976 -17.9317 -17.9317 8.5207 8.5207 9.1991 9.1991 11.2972 11.2972 17.6588 17.6588 17.8756 17.8756 18.3786 18.3786 23.3381 23.3381 k = 0.0427 0.0473 0.6735 ( 1476 PWs) bands (ev): -41.8425 -41.8425 -18.8789 -18.8789 -18.1978 -18.1978 -17.9336 -17.9336 8.5225 8.5225 9.1942 9.1942 11.3158 11.3158 17.6590 17.6590 17.8598 17.8598 18.3937 18.3937 23.3123 23.3123 k = 0.0488 0.0541 0.6735 ( 1476 PWs) bands (ev): -41.8425 -41.8425 -18.8770 -18.8770 -18.1981 -18.1981 -17.9357 -17.9357 8.5246 8.5246 9.1886 9.1886 11.3371 11.3371 17.6592 17.6592 17.8416 17.8416 18.4111 18.4111 23.2031 23.2031 k = 0.0549 0.0608 0.6735 ( 1478 PWs) bands (ev): -41.8425 -41.8425 -18.8750 -18.8750 -18.1985 -18.1985 -17.9382 -17.9382 8.5270 8.5270 9.1823 9.1823 11.3612 11.3612 17.6594 17.6594 17.8208 17.8208 18.4307 18.4307 23.0931 23.0931 k = 0.0610 0.0676 0.6735 ( 1478 PWs) bands (ev): -41.8425 -41.8425 -18.8727 -18.8727 -18.1988 -18.1988 -17.9409 -17.9409 8.5297 8.5297 9.1753 9.1753 11.3878 11.3878 17.6596 17.6596 17.7976 17.7976 18.4526 18.4526 22.9834 22.9834 k = 0.0671 0.0743 0.6735 ( 1478 PWs) bands (ev): -41.8424 -41.8424 -18.8702 -18.8702 -18.1992 -18.1992 -17.9438 -17.9438 8.5327 8.5327 9.1676 9.1676 11.4170 11.4170 17.6598 17.6598 17.7720 17.7720 18.4767 18.4767 22.8744 22.8744 k = 0.0732 0.0811 0.6735 ( 1474 PWs) bands (ev): -41.8424 -41.8424 -18.8675 -18.8675 -18.1996 -18.1996 -17.9470 -17.9470 8.5360 8.5360 9.1593 9.1593 11.4486 11.4486 17.6598 17.6598 17.7439 17.7439 18.5030 18.5030 22.7663 22.7663 k = 0.0793 0.0878 0.6735 ( 1474 PWs) bands (ev): -41.8424 -41.8424 -18.8646 -18.8646 -18.2000 -18.2000 -17.9504 -17.9504 8.5396 8.5396 9.1504 9.1504 11.4826 11.4826 17.6595 17.6595 17.7139 17.7139 18.5315 18.5315 22.6591 22.6591 k = 0.0854 0.0946 0.6735 ( 1470 PWs) bands (ev): -41.8423 -41.8423 -18.8616 -18.8616 -18.2004 -18.2004 -17.9540 -17.9540 8.5436 8.5436 9.1410 9.1410 11.5189 11.5189 17.6569 17.6569 17.6835 17.6835 18.5622 18.5622 22.5529 22.5529 k = 0.0915 0.1014 0.6735 ( 1470 PWs) bands (ev): -41.8423 -41.8423 -18.8584 -18.8584 -18.2009 -18.2009 -17.9578 -17.9578 8.5478 8.5478 9.1310 9.1310 11.5573 11.5573 17.6383 17.6383 17.6668 17.6668 18.5949 18.5949 22.4478 22.4478 k = 0.0976 0.1081 0.6735 ( 1470 PWs) bands (ev): -41.8423 -41.8423 -18.8551 -18.8551 -18.2013 -18.2013 -17.9618 -17.9618 8.5524 8.5524 9.1204 9.1204 11.5977 11.5977 17.6029 17.6029 17.6646 17.6646 18.6298 18.6298 22.3437 22.3437 k = 0.1037 0.1149 0.6735 ( 1466 PWs) bands (ev): -41.8422 -41.8422 -18.8516 -18.8516 -18.2017 -18.2017 -17.9659 -17.9659 8.5573 8.5573 9.1094 9.1094 11.6400 11.6400 17.5632 17.5632 17.6643 17.6643 18.6667 18.6667 22.2406 22.2406 k = 0.1098 0.1216 0.6735 ( 1466 PWs) bands (ev): -41.8422 -41.8422 -18.8480 -18.8480 -18.2022 -18.2022 -17.9701 -17.9701 8.5626 8.5626 9.0979 9.0979 11.6839 11.6839 17.5210 17.5210 17.6645 17.6645 18.7057 18.7057 22.1387 22.1387 k = 0.1159 0.1284 0.6735 ( 1470 PWs) bands (ev): -41.8422 -41.8422 -18.8444 -18.8444 -18.2026 -18.2026 -17.9745 -17.9745 8.5682 8.5682 9.0860 9.0860 11.7295 11.7295 17.4766 17.4766 17.6648 17.6648 18.7466 18.7466 22.0378 22.0378 k = 0.1220 0.1352 0.6735 ( 1470 PWs) bands (ev): -41.8421 -41.8421 -18.8407 -18.8407 -18.2030 -18.2030 -17.9789 -17.9789 8.5741 8.5741 9.0737 9.0737 11.7764 11.7764 17.4302 17.4302 17.6651 17.6651 18.7895 18.7895 21.9379 21.9379 k = 0.1280 0.1419 0.6735 ( 1482 PWs) bands (ev): -41.8421 -41.8421 -18.8370 -18.8370 -18.2034 -18.2034 -17.9834 -17.9834 8.5804 8.5804 9.0611 9.0611 11.8244 11.8244 17.3820 17.3820 17.6655 17.6655 18.8343 18.8343 21.8391 21.8391 k = 0.1341 0.1487 0.6735 ( 1474 PWs) bands (ev): -41.8421 -41.8421 -18.8332 -18.8332 -18.2037 -18.2037 -17.9880 -17.9880 8.5871 8.5871 9.0481 9.0481 11.8734 11.8734 17.3324 17.3324 17.6659 17.6659 18.8811 18.8811 21.7414 21.7414 k = 0.1402 0.1554 0.6735 ( 1478 PWs) bands (ev): -41.8420 -41.8420 -18.8294 -18.8294 -18.2041 -18.2041 -17.9925 -17.9925 8.5941 8.5941 9.0348 9.0348 11.9231 11.9231 17.2815 17.2815 17.6664 17.6664 18.9296 18.9296 21.6447 21.6447 k = 0.1463 0.1622 0.6735 ( 1480 PWs) bands (ev): -41.8420 -41.8420 -18.8256 -18.8256 -18.2044 -18.2044 -17.9971 -17.9971 8.6015 8.6015 9.0213 9.0213 11.9733 11.9733 17.2297 17.2297 17.6668 17.6668 18.9801 18.9801 21.5490 21.5490 k = 0.1524 0.1689 0.6735 ( 1480 PWs) bands (ev): -41.8419 -41.8419 -18.8219 -18.8219 -18.2047 -18.2047 -18.0016 -18.0016 8.6092 8.6092 9.0075 9.0075 12.0235 12.0235 17.1772 17.1772 17.6672 17.6672 19.0322 19.0322 21.4544 21.4544 k = 0.1585 0.1757 0.6735 ( 1480 PWs) bands (ev): -41.8419 -41.8419 -18.8182 -18.8182 -18.2049 -18.2049 -18.0061 -18.0061 8.6173 8.6173 8.9936 8.9936 12.0737 12.0737 17.1244 17.1244 17.6676 17.6676 19.0862 19.0862 21.3608 21.3608 k = 0.1646 0.1825 0.6735 ( 1480 PWs) bands (ev): -41.8419 -41.8419 -18.8147 -18.8147 -18.2052 -18.2052 -18.0105 -18.0105 8.6257 8.6257 8.9795 8.9795 12.1233 12.1233 17.0717 17.0717 17.6681 17.6681 19.1418 19.1418 21.2682 21.2682 k = 0.1707 0.1892 0.6735 ( 1470 PWs) bands (ev): -41.8419 -41.8419 -18.8112 -18.8112 -18.2054 -18.2054 -18.0147 -18.0147 8.6345 8.6345 8.9653 8.9653 12.1721 12.1721 17.0196 17.0196 17.6685 17.6685 19.1991 19.1991 21.1767 21.1767 k = 0.1768 0.1960 0.6735 ( 1470 PWs) bands (ev): -41.8418 -41.8418 -18.8079 -18.8079 -18.2055 -18.2055 -18.0188 -18.0188 8.6436 8.6436 8.9510 8.9510 12.2197 12.2197 16.9684 16.9684 17.6688 17.6688 19.2581 19.2581 21.0862 21.0862 k = 0.1829 0.2027 0.6735 ( 1470 PWs) bands (ev): -41.8418 -41.8418 -18.8047 -18.8047 -18.2056 -18.2056 -18.0228 -18.0228 8.6531 8.6531 8.9366 8.9366 12.2658 12.2658 16.9187 16.9187 17.6692 17.6692 19.3187 19.3187 20.9967 20.9967 k = 0.1890 0.2095 0.6735 ( 1470 PWs) bands (ev): -41.8418 -41.8418 -18.8017 -18.8017 -18.2057 -18.2057 -18.0265 -18.0265 8.6630 8.6630 8.9223 8.9223 12.3098 12.3098 16.8709 16.8709 17.6695 17.6695 19.3808 19.3808 20.9083 20.9083 k = 0.1951 0.2162 0.6735 ( 1470 PWs) bands (ev): -41.8417 -41.8417 -18.7989 -18.7989 -18.2058 -18.2058 -18.0300 -18.0300 8.6731 8.6731 8.9079 8.9079 12.3514 12.3514 16.8256 16.8256 17.6698 17.6698 19.4445 19.4445 20.8209 20.8209 k = 0.2012 0.2230 0.6735 ( 1470 PWs) bands (ev): -41.8417 -41.8417 -18.7964 -18.7964 -18.2058 -18.2058 -18.0332 -18.0332 8.6836 8.6836 8.8937 8.8937 12.3902 12.3902 16.7832 16.7832 17.6701 17.6701 19.5096 19.5096 20.7346 20.7346 k = 0.2073 0.2298 0.6735 ( 1472 PWs) bands (ev): -41.8417 -41.8417 -18.7940 -18.7940 -18.2058 -18.2058 -18.0362 -18.0362 8.6944 8.6944 8.8795 8.8795 12.4257 12.4257 16.7443 16.7443 17.6704 17.6704 19.5763 19.5763 20.6494 20.6494 k = 0.2134 0.2365 0.6735 ( 1470 PWs) bands (ev): -41.8417 -41.8417 -18.7920 -18.7920 -18.2058 -18.2058 -18.0388 -18.0388 8.7054 8.7054 8.8655 8.8655 12.4575 12.4575 16.7094 16.7094 17.6706 17.6706 19.6443 19.6443 20.5653 20.5653 k = 0.2195 0.2433 0.6735 ( 1464 PWs) bands (ev): -41.8417 -41.8417 -18.7902 -18.7902 -18.2058 -18.2058 -18.0410 -18.0410 8.7166 8.7166 8.8517 8.8517 12.4852 12.4852 16.6789 16.6789 17.6708 17.6708 19.7138 19.7138 20.4823 20.4823 k = 0.2256 0.2500 0.6735 ( 1464 PWs) bands (ev): -41.8417 -41.8417 -18.7887 -18.7887 -18.2058 -18.2058 -18.0430 -18.0430 8.7279 8.7279 8.8383 8.8383 12.5084 12.5084 16.6533 16.6533 17.6710 17.6710 19.7846 19.7846 20.4004 20.4004 k = 0.2317 0.2568 0.6735 ( 1468 PWs) bands (ev): -41.8416 -41.8416 -18.7875 -18.7875 -18.2058 -18.2058 -18.0445 -18.0445 8.7391 8.7391 8.8254 8.8254 12.5268 12.5268 16.6329 16.6329 17.6711 17.6711 19.8568 19.8568 20.3196 20.3196 k = 0.2378 0.2635 0.6735 ( 1472 PWs) bands (ev): -41.8416 -41.8416 -18.7866 -18.7866 -18.2058 -18.2058 -18.0456 -18.0456 8.7498 8.7498 8.8135 8.8135 12.5402 12.5402 16.6181 16.6181 17.6712 17.6712 19.9303 19.9303 20.2400 20.2400 k = 0.2439 0.2703 0.6735 ( 1472 PWs) bands (ev): -41.8416 -41.8416 -18.7860 -18.7860 -18.2058 -18.2058 -18.0463 -18.0463 8.7587 8.7587 8.8039 8.8039 12.5483 12.5483 16.6091 16.6091 17.6712 17.6712 20.0050 20.0050 20.1616 20.1616 k = 0.2500 0.2771 0.6735 ( 1484 PWs) bands (ev): -41.8416 -41.8416 -18.7858 -18.7858 -18.2058 -18.2058 -18.0466 -18.0466 8.7623 8.7623 8.8001 8.8001 12.5511 12.5511 16.6060 16.6060 17.6712 17.6712 20.0810 20.0810 20.0844 20.0844 Writing output data file TiH2.save init_run : 0.05s CPU 0.20s WALL ( 1 calls) electrons : 48.23s CPU 49.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 48.23s CPU 49.85s 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 0.02s WALL ( 569 calls) cegterg : 44.47s CPU 45.65s WALL ( 603 calls) Called by sum_band: Called by *egterg: h_psi : 21.75s CPU 22.38s WALL ( 9343 calls) s_psi : 0.15s CPU 0.19s WALL ( 9343 calls) g_psi : 0.07s CPU 0.07s WALL ( 8171 calls) cdiaghg : 20.47s CPU 21.00s WALL ( 8740 calls) cegterg:over : 1.51s CPU 1.63s WALL ( 8171 calls) cegterg:upda : 1.20s CPU 1.21s WALL ( 8171 calls) cegterg:last : 0.84s CPU 0.83s WALL ( 2236 calls) cdiaghg:chol : 1.12s CPU 1.10s WALL ( 8740 calls) cdiaghg:inve : 0.16s CPU 0.22s WALL ( 8740 calls) cdiaghg:para : 1.44s CPU 1.46s WALL ( 17480 calls) Called by h_psi: h_psi:vloc : 20.17s CPU 20.61s WALL ( 9343 calls) h_psi:vnl : 1.56s CPU 1.73s WALL ( 9343 calls) add_vuspsi : 0.89s CPU 0.93s WALL ( 9343 calls) General routines calbec : 0.66s CPU 0.78s WALL ( 9343 calls) fft : 0.00s CPU 0.00s WALL ( 14 calls) fftw : 19.08s CPU 19.49s WALL ( 597980 calls) davcio : 0.09s CPU 0.13s WALL ( 1138 calls) Parallel routines fft_scatter : 12.03s CPU 12.16s WALL ( 597994 calls) PWSCF : 0m57.41s CPU 1m30.13s WALL This run was terminated on: 19:13:17 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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