Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:54:36 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: ./NaH.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 26 21 6 535 393 66 Max 27 22 7 538 405 69 Sum 955 769 241 19339 14361 2421 bravais-lattice index = 14 lattice parameter (alat) = 6.5208 a.u. unit-cell volume = 196.0632 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 10.00 number of Kohn-Sham states= 18 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.520842 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for 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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Na 9.00 22.98980 Na( 1.00) 12 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 428 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0076923 -0.0044412 0.0062807), wk = 0.0023364 k( 3) = ( 0.0153846 -0.0088823 0.0125615), wk = 0.0023364 k( 4) = ( 0.0230769 -0.0133235 0.0188422), wk = 0.0023364 k( 5) = ( 0.0307692 -0.0177646 0.0251230), wk = 0.0023364 k( 6) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0023364 k( 7) = ( 0.0461539 -0.0266469 0.0376845), wk = 0.0023364 k( 8) = ( 0.0538462 -0.0310881 0.0439652), wk = 0.0023364 k( 9) = ( 0.0615385 -0.0355292 0.0502459), wk = 0.0023364 k( 10) = ( 0.0692308 -0.0399704 0.0565267), wk = 0.0023364 k( 11) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0023364 k( 12) = ( 0.0846154 -0.0488527 0.0690882), wk = 0.0023364 k( 13) = ( 0.0923077 -0.0532939 0.0753689), wk = 0.0023364 k( 14) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0023364 k( 15) = ( 0.1076923 -0.0621762 0.0879304), wk = 0.0023364 k( 16) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0023364 k( 17) = ( 0.1230769 -0.0710585 0.1004919), wk = 0.0023364 k( 18) = ( 0.1307692 -0.0754997 0.1067726), wk = 0.0023364 k( 19) = ( 0.1384615 -0.0799408 0.1130534), wk = 0.0023364 k( 20) = ( 0.1461539 -0.0843820 0.1193341), wk = 0.0023364 k( 21) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0023364 k( 22) = ( 0.1615385 -0.0932643 0.1318956), wk = 0.0023364 k( 23) = ( 0.1692308 -0.0977054 0.1381763), wk = 0.0023364 k( 24) = ( 0.1769231 -0.1021466 0.1444571), wk = 0.0023364 k( 25) = ( 0.1846154 -0.1065877 0.1507378), wk = 0.0023364 k( 26) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0023364 k( 27) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0023364 k( 28) = ( 0.2076923 -0.1199112 0.1695801), wk = 0.0023364 k( 29) = ( 0.2153846 -0.1243524 0.1758608), wk = 0.0023364 k( 30) = ( 0.2230769 -0.1287935 0.1821415), wk = 0.0023364 k( 31) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0023364 k( 32) = ( 0.2384615 -0.1376758 0.1947030), wk = 0.0023364 k( 33) = ( 0.2461539 -0.1421170 0.2009838), wk = 0.0023364 k( 34) = ( 0.2538461 -0.1465581 0.2072645), wk = 0.0023364 k( 35) = ( 0.2615385 -0.1509993 0.2135453), wk = 0.0023364 k( 36) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0023364 k( 37) = ( 0.2769231 -0.1598816 0.2261067), wk = 0.0023364 k( 38) = ( 0.2846154 -0.1643228 0.2323875), wk = 0.0023364 k( 39) = ( 0.2923077 -0.1687639 0.2386682), wk = 0.0023364 k( 40) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0023364 k( 41) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0023364 k( 42) = ( 0.3153846 -0.1820874 0.2575105), wk = 0.0023364 k( 43) = ( 0.3230769 -0.1865285 0.2637912), wk = 0.0023364 k( 44) = ( 0.3307692 -0.1909697 0.2700719), wk = 0.0023364 k( 45) = ( 0.3384615 -0.1954109 0.2763527), wk = 0.0023364 k( 46) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0023364 k( 47) = ( 0.3538462 -0.2042932 0.2889142), wk = 0.0023364 k( 48) = ( 0.3615385 -0.2087343 0.2951949), wk = 0.0023364 k( 49) = ( 0.3692308 -0.2131755 0.3014757), wk = 0.0023364 k( 50) = ( 0.3769231 -0.2176166 0.3077564), wk = 0.0023364 k( 51) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0023364 k( 52) = ( 0.3923077 -0.2264990 0.3203179), wk = 0.0023364 k( 53) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0023364 k( 54) = ( 0.4076923 -0.2353813 0.3328794), wk = 0.0023364 k( 55) = ( 0.4153846 -0.2398224 0.3391601), wk = 0.0023364 k( 56) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0023364 k( 57) = ( 0.4307692 -0.2487047 0.3517216), wk = 0.0023364 k( 58) = ( 0.4384615 -0.2531459 0.3580023), wk = 0.0023364 k( 59) = ( 0.4461539 -0.2575870 0.3642831), wk = 0.0023364 k( 60) = ( 0.4538462 -0.2620282 0.3705638), wk = 0.0023364 k( 61) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0023364 k( 62) = ( 0.4692308 -0.2709105 0.3831253), wk = 0.0023364 k( 63) = ( 0.4769231 -0.2753517 0.3894061), wk = 0.0023364 k( 64) = ( 0.4846154 -0.2797928 0.3956868), wk = 0.0023364 k( 65) = ( 0.4923077 -0.2842340 0.4019675), wk = 0.0023364 k( 66) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0023364 k( 67) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0023364 k( 68) = ( 0.5000000 -0.2799274 0.4144339), wk = 0.0023364 k( 69) = ( 0.5000000 -0.2711797 0.4206195), wk = 0.0023364 k( 70) = ( 0.5000000 -0.2624319 0.4268050), wk = 0.0023364 k( 71) = ( 0.5000000 -0.2536842 0.4329906), wk = 0.0023364 k( 72) = ( 0.5000000 -0.2449365 0.4391762), wk = 0.0023364 k( 73) = ( 0.5000000 -0.2361887 0.4453618), wk = 0.0023364 k( 74) = ( 0.5000000 -0.2274410 0.4515473), wk = 0.0023364 k( 75) = ( 0.5000000 -0.2186933 0.4577329), wk = 0.0023364 k( 76) = ( 0.5000000 -0.2099456 0.4639185), wk = 0.0023364 k( 77) = ( 0.5000000 -0.2011978 0.4701041), wk = 0.0023364 k( 78) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0023364 k( 79) = ( 0.5000000 -0.1837024 0.4824753), wk = 0.0023364 k( 80) = ( 0.5000000 -0.1749546 0.4886608), wk = 0.0023364 k( 81) = ( 0.5000000 -0.1662069 0.4948464), wk = 0.0023364 k( 82) = ( 0.5000000 -0.1574592 0.5010320), wk = 0.0023364 k( 83) = ( 0.5000000 -0.1487114 0.5072176), wk = 0.0023364 k( 84) = ( 0.5000000 -0.1399637 0.5134032), wk = 0.0023364 k( 85) = ( 0.5000000 -0.1312160 0.5195887), wk = 0.0023364 k( 86) = ( 0.5000000 -0.1224682 0.5257743), wk = 0.0023364 k( 87) = ( 0.5000000 -0.1137205 0.5319599), wk = 0.0023364 k( 88) = ( 0.5000000 -0.1049728 0.5381455), wk = 0.0023364 k( 89) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0023364 k( 90) = ( 0.5000000 -0.0874773 0.5505166), wk = 0.0023364 k( 91) = ( 0.5000000 -0.0787296 0.5567022), wk = 0.0023364 k( 92) = ( 0.5000000 -0.0699819 0.5628878), wk = 0.0023364 k( 93) = ( 0.5000000 -0.0612341 0.5690734), wk = 0.0023364 k( 94) = ( 0.5000000 -0.0524864 0.5752590), wk = 0.0023364 k( 95) = ( 0.5000000 -0.0437387 0.5814445), wk = 0.0023364 k( 96) = ( 0.5000000 -0.0349909 0.5876301), wk = 0.0023364 k( 97) = ( 0.5000000 -0.0262432 0.5938157), wk = 0.0023364 k( 98) = ( 0.5000000 -0.0174955 0.6000013), wk = 0.0023364 k( 99) = ( 0.5000000 -0.0087477 0.6061869), wk = 0.0023364 k( 100) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0023364 k( 101) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0023364 k( 102) = ( 0.4945652 0.0094133 0.6123724), wk = 0.0023364 k( 103) = ( 0.4891304 0.0188266 0.6123724), wk = 0.0023364 k( 104) = ( 0.4836956 0.0282400 0.6123724), wk = 0.0023364 k( 105) = ( 0.4782609 0.0376533 0.6123724), wk = 0.0023364 k( 106) = ( 0.4728261 0.0470666 0.6123724), wk = 0.0023364 k( 107) = ( 0.4673913 0.0564799 0.6123724), wk = 0.0023364 k( 108) = ( 0.4619565 0.0658932 0.6123724), wk = 0.0023364 k( 109) = ( 0.4565217 0.0753066 0.6123724), wk = 0.0023364 k( 110) = ( 0.4510870 0.0847199 0.6123724), wk = 0.0023364 k( 111) = ( 0.4456522 0.0941332 0.6123724), wk = 0.0023364 k( 112) = ( 0.4402174 0.1035465 0.6123724), wk = 0.0023364 k( 113) = ( 0.4347826 0.1129598 0.6123724), wk = 0.0023364 k( 114) = ( 0.4293478 0.1223731 0.6123724), wk = 0.0023364 k( 115) = ( 0.4239130 0.1317865 0.6123724), wk = 0.0023364 k( 116) = ( 0.4184783 0.1411998 0.6123724), wk = 0.0023364 k( 117) = ( 0.4130435 0.1506131 0.6123724), wk = 0.0023364 k( 118) = ( 0.4076087 0.1600264 0.6123724), wk = 0.0023364 k( 119) = ( 0.4021739 0.1694398 0.6123724), wk = 0.0023364 k( 120) = ( 0.3967391 0.1788531 0.6123724), wk = 0.0023364 k( 121) = ( 0.3913044 0.1882664 0.6123724), wk = 0.0023364 k( 122) = ( 0.3858696 0.1976797 0.6123724), wk = 0.0023364 k( 123) = ( 0.3804348 0.2070930 0.6123724), wk = 0.0023364 k( 124) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0023364 k( 125) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0023364 k( 126) = ( 0.3695652 0.2133686 0.6034975), wk = 0.0023364 k( 127) = ( 0.3641304 0.2102308 0.5946225), wk = 0.0023364 k( 128) = ( 0.3586956 0.2070930 0.5857475), wk = 0.0023364 k( 129) = ( 0.3532609 0.2039553 0.5768726), wk = 0.0023364 k( 130) = ( 0.3478261 0.2008175 0.5679976), wk = 0.0023364 k( 131) = ( 0.3423913 0.1976797 0.5591227), wk = 0.0023364 k( 132) = ( 0.3369565 0.1945419 0.5502477), wk = 0.0023364 k( 133) = ( 0.3315217 0.1914042 0.5413727), wk = 0.0023364 k( 134) = ( 0.3260870 0.1882664 0.5324978), wk = 0.0023364 k( 135) = ( 0.3206522 0.1851286 0.5236228), wk = 0.0023364 k( 136) = ( 0.3152174 0.1819908 0.5147478), wk = 0.0023364 k( 137) = ( 0.3097826 0.1788531 0.5058729), wk = 0.0023364 k( 138) = ( 0.3043478 0.1757153 0.4969979), wk = 0.0023364 k( 139) = ( 0.2989130 0.1725775 0.4881230), wk = 0.0023364 k( 140) = ( 0.2934783 0.1694398 0.4792480), wk = 0.0023364 k( 141) = ( 0.2880435 0.1663020 0.4703730), wk = 0.0023364 k( 142) = ( 0.2826087 0.1631642 0.4614981), wk = 0.0023364 k( 143) = ( 0.2771739 0.1600264 0.4526231), wk = 0.0023364 k( 144) = ( 0.2717391 0.1568887 0.4437481), wk = 0.0023364 k( 145) = ( 0.2663044 0.1537509 0.4348732), wk = 0.0023364 k( 146) = ( 0.2608696 0.1506131 0.4259982), wk = 0.0023364 k( 147) = ( 0.2554348 0.1474753 0.4171233), wk = 0.0023364 k( 148) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0023364 k( 149) = ( 0.2445652 0.1411998 0.3993733), wk = 0.0023364 k( 150) = ( 0.2391304 0.1380620 0.3904984), wk = 0.0023364 k( 151) = ( 0.2336957 0.1349242 0.3816234), wk = 0.0023364 k( 152) = ( 0.2282609 0.1317865 0.3727484), wk = 0.0023364 k( 153) = ( 0.2228261 0.1286487 0.3638735), wk = 0.0023364 k( 154) = ( 0.2173913 0.1255109 0.3549985), wk = 0.0023364 k( 155) = ( 0.2119565 0.1223732 0.3461235), wk = 0.0023364 k( 156) = ( 0.2065217 0.1192354 0.3372486), wk = 0.0023364 k( 157) = ( 0.2010870 0.1160976 0.3283736), wk = 0.0023364 k( 158) = ( 0.1956522 0.1129598 0.3194987), wk = 0.0023364 k( 159) = ( 0.1902174 0.1098221 0.3106237), wk = 0.0023364 k( 160) = ( 0.1847826 0.1066843 0.3017487), wk = 0.0023364 k( 161) = ( 0.1793478 0.1035465 0.2928738), wk = 0.0023364 k( 162) = ( 0.1739130 0.1004087 0.2839988), wk = 0.0023364 k( 163) = ( 0.1684783 0.0972710 0.2751238), wk = 0.0023364 k( 164) = ( 0.1630435 0.0941332 0.2662489), wk = 0.0023364 k( 165) = ( 0.1576087 0.0909954 0.2573739), wk = 0.0023364 k( 166) = ( 0.1521739 0.0878576 0.2484990), wk = 0.0023364 k( 167) = ( 0.1467391 0.0847199 0.2396240), wk = 0.0023364 k( 168) = ( 0.1413043 0.0815821 0.2307490), wk = 0.0023364 k( 169) = ( 0.1358696 0.0784443 0.2218741), wk = 0.0023364 k( 170) = ( 0.1304348 0.0753066 0.2129991), wk = 0.0023364 k( 171) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0023364 k( 172) = ( 0.1195652 0.0690310 0.1952492), wk = 0.0023364 k( 173) = ( 0.1141304 0.0658932 0.1863742), wk = 0.0023364 k( 174) = ( 0.1086957 0.0627555 0.1774993), wk = 0.0023364 k( 175) = ( 0.1032609 0.0596177 0.1686243), wk = 0.0023364 k( 176) = ( 0.0978261 0.0564799 0.1597493), wk = 0.0023364 k( 177) = ( 0.0923913 0.0533421 0.1508744), wk = 0.0023364 k( 178) = ( 0.0869565 0.0502044 0.1419994), wk = 0.0023364 k( 179) = ( 0.0815217 0.0470666 0.1331244), wk = 0.0023364 k( 180) = ( 0.0760870 0.0439288 0.1242495), wk = 0.0023364 k( 181) = ( 0.0706522 0.0407910 0.1153745), wk = 0.0023364 k( 182) = ( 0.0652174 0.0376533 0.1064996), wk = 0.0023364 k( 183) = ( 0.0597826 0.0345155 0.0976246), wk = 0.0023364 k( 184) = ( 0.0543478 0.0313777 0.0887496), wk = 0.0023364 k( 185) = ( 0.0489130 0.0282400 0.0798747), wk = 0.0023364 k( 186) = ( 0.0434783 0.0251022 0.0709997), wk = 0.0023364 k( 187) = ( 0.0380435 0.0219644 0.0621247), wk = 0.0023364 k( 188) = ( 0.0326087 0.0188266 0.0532498), wk = 0.0023364 k( 189) = ( 0.0271739 0.0156889 0.0443748), wk = 0.0023364 k( 190) = ( 0.0217391 0.0125511 0.0354999), wk = 0.0023364 k( 191) = ( 0.0163043 0.0094133 0.0266249), wk = 0.0023364 k( 192) = ( 0.0108696 0.0062755 0.0177499), wk = 0.0023364 k( 193) = ( 0.0054348 0.0031378 0.0088750), wk = 0.0023364 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 196) = ( 0.0089286 0.0051549 0.0036451), wk = 0.0023364 k( 197) = ( 0.0178571 0.0103098 0.0072901), wk = 0.0023364 k( 198) = ( 0.0267857 0.0154647 0.0109352), wk = 0.0023364 k( 199) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0023364 k( 200) = ( 0.0446429 0.0257746 0.0182254), wk = 0.0023364 k( 201) = ( 0.0535714 0.0309295 0.0218704), wk = 0.0023364 k( 202) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0023364 k( 203) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0023364 k( 204) = ( 0.0803571 0.0463942 0.0328057), wk = 0.0023364 k( 205) = ( 0.0892857 0.0515491 0.0364507), wk = 0.0023364 k( 206) = ( 0.0982143 0.0567040 0.0400958), wk = 0.0023364 k( 207) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0023364 k( 208) = ( 0.1160714 0.0670139 0.0473860), wk = 0.0023364 k( 209) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0023364 k( 210) = ( 0.1339286 0.0773237 0.0546761), wk = 0.0023364 k( 211) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0023364 k( 212) = ( 0.1517857 0.0876335 0.0619663), wk = 0.0023364 k( 213) = ( 0.1607143 0.0927884 0.0656113), wk = 0.0023364 k( 214) = ( 0.1696429 0.0979434 0.0692564), wk = 0.0023364 k( 215) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0023364 k( 216) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0023364 k( 217) = ( 0.1964286 0.1134081 0.0801916), wk = 0.0023364 k( 218) = ( 0.2053571 0.1185630 0.0838367), wk = 0.0023364 k( 219) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0023364 k( 220) = ( 0.2232143 0.1288728 0.0911269), wk = 0.0023364 k( 221) = ( 0.2321429 0.1340277 0.0947719), wk = 0.0023364 k( 222) = ( 0.2410714 0.1391827 0.0984170), wk = 0.0023364 k( 223) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0023364 k( 224) = ( 0.2589286 0.1494925 0.1057071), wk = 0.0023364 k( 225) = ( 0.2678571 0.1546474 0.1093522), wk = 0.0023364 k( 226) = ( 0.2767857 0.1598023 0.1129973), wk = 0.0023364 k( 227) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0023364 k( 228) = ( 0.2946429 0.1701121 0.1202874), wk = 0.0023364 k( 229) = ( 0.3035714 0.1752670 0.1239325), wk = 0.0023364 k( 230) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0023364 k( 231) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0023364 k( 232) = ( 0.3303571 0.1907318 0.1348677), wk = 0.0023364 k( 233) = ( 0.3392857 0.1958867 0.1385128), wk = 0.0023364 k( 234) = ( 0.3482143 0.2010416 0.1421579), wk = 0.0023364 k( 235) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0023364 k( 236) = ( 0.3660714 0.2113514 0.1494480), wk = 0.0023364 k( 237) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0023364 k( 238) = ( 0.3839286 0.2216613 0.1567382), wk = 0.0023364 k( 239) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0023364 k( 240) = ( 0.4017857 0.2319711 0.1640283), wk = 0.0023364 k( 241) = ( 0.4107143 0.2371260 0.1676734), wk = 0.0023364 k( 242) = ( 0.4196429 0.2422809 0.1713185), wk = 0.0023364 k( 243) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0023364 k( 244) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0023364 k( 245) = ( 0.4464286 0.2577457 0.1822537), wk = 0.0023364 k( 246) = ( 0.4553571 0.2629006 0.1858988), wk = 0.0023364 k( 247) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0023364 k( 248) = ( 0.4732143 0.2732104 0.1931889), wk = 0.0023364 k( 249) = ( 0.4821429 0.2783653 0.1968340), wk = 0.0023364 k( 250) = ( 0.4910714 0.2835202 0.2004791), wk = 0.0023364 k( 251) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023364 k( 252) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023364 k( 253) = ( 0.5031250 0.2796540 0.2092272), wk = 0.0023364 k( 254) = ( 0.5062500 0.2706329 0.2143304), wk = 0.0023364 k( 255) = ( 0.5093750 0.2616118 0.2194335), wk = 0.0023364 k( 256) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0023364 k( 257) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0023364 k( 258) = ( 0.5187500 0.2345485 0.2347428), wk = 0.0023364 k( 259) = ( 0.5218750 0.2255274 0.2398459), wk = 0.0023364 k( 260) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0023364 k( 261) = ( 0.5281250 0.2074853 0.2500521), wk = 0.0023364 k( 262) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0023364 k( 263) = ( 0.5343750 0.1894431 0.2602583), wk = 0.0023364 k( 264) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0023364 k( 265) = ( 0.5406250 0.1714009 0.2704645), wk = 0.0023364 k( 266) = ( 0.5437500 0.1623798 0.2755676), wk = 0.0023364 k( 267) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0023364 k( 268) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0023364 k( 269) = ( 0.5531250 0.1353165 0.2908769), wk = 0.0023364 k( 270) = ( 0.5562500 0.1262954 0.2959800), wk = 0.0023364 k( 271) = ( 0.5593750 0.1172743 0.3010831), wk = 0.0023364 k( 272) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0023364 k( 273) = ( 0.5656250 0.0992321 0.3112893), wk = 0.0023364 k( 274) = ( 0.5687500 0.0902110 0.3163924), wk = 0.0023364 k( 275) = ( 0.5718750 0.0811899 0.3214955), wk = 0.0023364 k( 276) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0023364 k( 277) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0023364 k( 278) = ( 0.5812500 0.0541266 0.3368048), wk = 0.0023364 k( 279) = ( 0.5843750 0.0451055 0.3419079), wk = 0.0023364 k( 280) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0023364 k( 281) = ( 0.5906250 0.0270633 0.3521142), wk = 0.0023364 k( 282) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0023364 k( 283) = ( 0.5968750 0.0090211 0.3623204), wk = 0.0023364 k( 284) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0023364 k( 285) = ( 0.6031250 -0.0090211 0.3725266), wk = 0.0023364 k( 286) = ( 0.6062500 -0.0180422 0.3776297), wk = 0.0023364 k( 287) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0023364 k( 288) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0023364 k( 289) = ( 0.6156250 -0.0451055 0.3929390), wk = 0.0023364 k( 290) = ( 0.6187500 -0.0541266 0.3980421), wk = 0.0023364 k( 291) = ( 0.6218750 -0.0631477 0.4031452), wk = 0.0023364 k( 292) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0023364 k( 293) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0023364 k( 294) = ( 0.6195652 -0.0690310 0.4171232), wk = 0.0023364 k( 295) = ( 0.6141304 -0.0658932 0.4259982), wk = 0.0023364 k( 296) = ( 0.6086957 -0.0627555 0.4348732), wk = 0.0023364 k( 297) = ( 0.6032609 -0.0596177 0.4437481), wk = 0.0023364 k( 298) = ( 0.5978261 -0.0564799 0.4526231), wk = 0.0023364 k( 299) = ( 0.5923913 -0.0533421 0.4614981), wk = 0.0023364 k( 300) = ( 0.5869565 -0.0502044 0.4703730), wk = 0.0023364 k( 301) = ( 0.5815217 -0.0470666 0.4792480), wk = 0.0023364 k( 302) = ( 0.5760870 -0.0439288 0.4881230), wk = 0.0023364 k( 303) = ( 0.5706522 -0.0407910 0.4969979), wk = 0.0023364 k( 304) = ( 0.5652174 -0.0376533 0.5058729), wk = 0.0023364 k( 305) = ( 0.5597826 -0.0345155 0.5147478), wk = 0.0023364 k( 306) = ( 0.5543478 -0.0313777 0.5236228), wk = 0.0023364 k( 307) = ( 0.5489130 -0.0282400 0.5324978), wk = 0.0023364 k( 308) = ( 0.5434783 -0.0251022 0.5413727), wk = 0.0023364 k( 309) = ( 0.5380435 -0.0219644 0.5502477), wk = 0.0023364 k( 310) = ( 0.5326087 -0.0188266 0.5591227), wk = 0.0023364 k( 311) = ( 0.5271739 -0.0156889 0.5679976), wk = 0.0023364 k( 312) = ( 0.5217391 -0.0125511 0.5768726), wk = 0.0023364 k( 313) = ( 0.5163043 -0.0094133 0.5857475), wk = 0.0023364 k( 314) = ( 0.5108696 -0.0062755 0.5946225), wk = 0.0023364 k( 315) = ( 0.5054348 -0.0031378 0.6034975), wk = 0.0023364 k( 316) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0023364 k( 317) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0023364 k( 318) = ( 0.5000000 0.0062755 0.6034975), wk = 0.0023364 k( 319) = ( 0.5000000 0.0125511 0.5946225), wk = 0.0023364 k( 320) = ( 0.5000000 0.0188266 0.5857475), wk = 0.0023364 k( 321) = ( 0.5000000 0.0251022 0.5768726), wk = 0.0023364 k( 322) = ( 0.5000000 0.0313777 0.5679976), wk = 0.0023364 k( 323) = ( 0.5000000 0.0376533 0.5591227), wk = 0.0023364 k( 324) = ( 0.5000000 0.0439288 0.5502477), wk = 0.0023364 k( 325) = ( 0.5000000 0.0502044 0.5413727), wk = 0.0023364 k( 326) = ( 0.5000000 0.0564799 0.5324978), wk = 0.0023364 k( 327) = ( 0.5000000 0.0627555 0.5236228), wk = 0.0023364 k( 328) = ( 0.5000000 0.0690310 0.5147478), wk = 0.0023364 k( 329) = ( 0.5000000 0.0753066 0.5058729), wk = 0.0023364 k( 330) = ( 0.5000000 0.0815821 0.4969979), wk = 0.0023364 k( 331) = ( 0.5000000 0.0878577 0.4881230), wk = 0.0023364 k( 332) = ( 0.5000000 0.0941332 0.4792480), wk = 0.0023364 k( 333) = ( 0.5000000 0.1004087 0.4703730), wk = 0.0023364 k( 334) = ( 0.5000000 0.1066843 0.4614981), wk = 0.0023364 k( 335) = ( 0.5000000 0.1129598 0.4526231), wk = 0.0023364 k( 336) = ( 0.5000000 0.1192354 0.4437481), wk = 0.0023364 k( 337) = ( 0.5000000 0.1255109 0.4348732), wk = 0.0023364 k( 338) = ( 0.5000000 0.1317865 0.4259982), wk = 0.0023364 k( 339) = ( 0.5000000 0.1380620 0.4171232), wk = 0.0023364 k( 340) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0023364 k( 341) = ( 0.5000000 0.1506131 0.3993733), wk = 0.0023364 k( 342) = ( 0.5000000 0.1568887 0.3904984), wk = 0.0023364 k( 343) = ( 0.5000000 0.1631642 0.3816234), wk = 0.0023364 k( 344) = ( 0.5000000 0.1694398 0.3727484), wk = 0.0023364 k( 345) = ( 0.5000000 0.1757153 0.3638735), wk = 0.0023364 k( 346) = ( 0.5000000 0.1819909 0.3549985), wk = 0.0023364 k( 347) = ( 0.5000000 0.1882664 0.3461235), wk = 0.0023364 k( 348) = ( 0.5000000 0.1945419 0.3372486), wk = 0.0023364 k( 349) = ( 0.5000000 0.2008175 0.3283736), wk = 0.0023364 k( 350) = ( 0.5000000 0.2070930 0.3194987), wk = 0.0023364 k( 351) = ( 0.5000000 0.2133686 0.3106237), wk = 0.0023364 k( 352) = ( 0.5000000 0.2196441 0.3017487), wk = 0.0023364 k( 353) = ( 0.5000000 0.2259197 0.2928738), wk = 0.0023364 k( 354) = ( 0.5000000 0.2321952 0.2839988), wk = 0.0023364 k( 355) = ( 0.5000000 0.2384708 0.2751238), wk = 0.0023364 k( 356) = ( 0.5000000 0.2447463 0.2662489), wk = 0.0023364 k( 357) = ( 0.5000000 0.2510219 0.2573739), wk = 0.0023364 k( 358) = ( 0.5000000 0.2572974 0.2484990), wk = 0.0023364 k( 359) = ( 0.5000000 0.2635729 0.2396240), wk = 0.0023364 k( 360) = ( 0.5000000 0.2698485 0.2307490), wk = 0.0023364 k( 361) = ( 0.5000000 0.2761240 0.2218741), wk = 0.0023364 k( 362) = ( 0.5000000 0.2823996 0.2129991), wk = 0.0023364 k( 363) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023364 k( 364) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023364 k( 365) = ( 0.4968750 0.2868709 0.2143304), wk = 0.0023364 k( 366) = ( 0.4937500 0.2850667 0.2245366), wk = 0.0023364 k( 367) = ( 0.4906250 0.2832625 0.2347428), wk = 0.0023364 k( 368) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0023364 k( 369) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0023364 k( 370) = ( 0.4812500 0.2778498 0.2653614), wk = 0.0023364 k( 371) = ( 0.4781250 0.2760456 0.2755676), wk = 0.0023364 k( 372) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0023364 k( 373) = ( 0.4718750 0.2724372 0.2959800), wk = 0.0023364 k( 374) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0023364 k( 375) = ( 0.4656250 0.2688287 0.3163924), wk = 0.0023364 k( 376) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0023364 k( 377) = ( 0.4593750 0.2652203 0.3368048), wk = 0.0023364 k( 378) = ( 0.4562500 0.2634161 0.3470110), wk = 0.0023364 k( 379) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0023364 k( 380) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0023364 k( 381) = ( 0.4468750 0.2580034 0.3776297), wk = 0.0023364 k( 382) = ( 0.4437500 0.2561992 0.3878359), wk = 0.0023364 k( 383) = ( 0.4406250 0.2543950 0.3980421), wk = 0.0023364 k( 384) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0023364 k( 385) = ( 0.4343750 0.2507865 0.4184545), wk = 0.0023364 k( 386) = ( 0.4312500 0.2489823 0.4286607), wk = 0.0023364 k( 387) = ( 0.4281250 0.2471781 0.4388669), wk = 0.0023364 k( 388) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0023364 k( 389) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0023364 k( 390) = ( 0.4187500 0.2417654 0.4694855), wk = 0.0023364 k( 391) = ( 0.4156250 0.2399612 0.4796917), wk = 0.0023364 k( 392) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0023364 k( 393) = ( 0.4093750 0.2363528 0.5001042), wk = 0.0023364 k( 394) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0023364 k( 395) = ( 0.4031250 0.2327443 0.5205166), wk = 0.0023364 k( 396) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0023364 k( 397) = ( 0.3968750 0.2291359 0.5409290), wk = 0.0023364 k( 398) = ( 0.3937500 0.2273317 0.5511352), wk = 0.0023364 k( 399) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0023364 k( 400) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0023364 k( 401) = ( 0.3843750 0.2219190 0.5817538), wk = 0.0023364 k( 402) = ( 0.3812500 0.2201148 0.5919600), wk = 0.0023364 k( 403) = ( 0.3781250 0.2183106 0.6021662), wk = 0.0023364 k( 404) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0023364 k( 405) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0023364 k( 406) = ( 0.6195652 -0.0815821 0.4082483), wk = 0.0023364 k( 407) = ( 0.6141304 -0.0909954 0.4082483), wk = 0.0023364 k( 408) = ( 0.6086957 -0.1004087 0.4082483), wk = 0.0023364 k( 409) = ( 0.6032609 -0.1098221 0.4082483), wk = 0.0023364 k( 410) = ( 0.5978261 -0.1192354 0.4082483), wk = 0.0023364 k( 411) = ( 0.5923913 -0.1286487 0.4082483), wk = 0.0023364 k( 412) = ( 0.5869565 -0.1380620 0.4082483), wk = 0.0023364 k( 413) = ( 0.5815217 -0.1474753 0.4082483), wk = 0.0023364 k( 414) = ( 0.5760870 -0.1568887 0.4082483), wk = 0.0023364 k( 415) = ( 0.5706522 -0.1663020 0.4082483), wk = 0.0023364 k( 416) = ( 0.5652174 -0.1757153 0.4082483), wk = 0.0023364 k( 417) = ( 0.5597826 -0.1851286 0.4082483), wk = 0.0023364 k( 418) = ( 0.5543478 -0.1945419 0.4082483), wk = 0.0023364 k( 419) = ( 0.5489130 -0.2039553 0.4082483), wk = 0.0023364 k( 420) = ( 0.5434783 -0.2133686 0.4082483), wk = 0.0023364 k( 421) = ( 0.5380435 -0.2227819 0.4082483), wk = 0.0023364 k( 422) = ( 0.5326087 -0.2321952 0.4082483), wk = 0.0023364 k( 423) = ( 0.5271739 -0.2416085 0.4082483), wk = 0.0023364 k( 424) = ( 0.5217391 -0.2510219 0.4082483), wk = 0.0023364 k( 425) = ( 0.5163043 -0.2604352 0.4082483), wk = 0.0023364 k( 426) = ( 0.5108696 -0.2698485 0.4082483), wk = 0.0023364 k( 427) = ( 0.5054348 -0.2792618 0.4082483), wk = 0.0023364 k( 428) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0023364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0076923 0.0000000 0.0076923), wk = 0.0023364 k( 3) = ( 0.0153846 0.0000000 0.0153846), wk = 0.0023364 k( 4) = ( 0.0230769 0.0000000 0.0230769), wk = 0.0023364 k( 5) = ( 0.0307692 -0.0000000 0.0307692), wk = 0.0023364 k( 6) = ( 0.0384615 0.0000000 0.0384615), wk = 0.0023364 k( 7) = ( 0.0461539 0.0000000 0.0461539), wk = 0.0023364 k( 8) = ( 0.0538462 0.0000000 0.0538462), wk = 0.0023364 k( 9) = ( 0.0615385 -0.0000000 0.0615385), wk = 0.0023364 k( 10) = ( 0.0692308 0.0000000 0.0692308), wk = 0.0023364 k( 11) = ( 0.0769231 0.0000000 0.0769231), wk = 0.0023364 k( 12) = ( 0.0846154 0.0000000 0.0846154), wk = 0.0023364 k( 13) = ( 0.0923077 0.0000000 0.0923077), wk = 0.0023364 k( 14) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0023364 k( 15) = ( 0.1076923 0.0000000 0.1076923), wk = 0.0023364 k( 16) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0023364 k( 17) = ( 0.1230769 -0.0000000 0.1230769), wk = 0.0023364 k( 18) = ( 0.1307692 0.0000000 0.1307692), wk = 0.0023364 k( 19) = ( 0.1384615 0.0000000 0.1384615), wk = 0.0023364 k( 20) = ( 0.1461539 0.0000000 0.1461539), wk = 0.0023364 k( 21) = ( 0.1538461 0.0000000 0.1538461), wk = 0.0023364 k( 22) = ( 0.1615385 0.0000000 0.1615385), wk = 0.0023364 k( 23) = ( 0.1692308 0.0000000 0.1692308), wk = 0.0023364 k( 24) = ( 0.1769231 0.0000000 0.1769231), wk = 0.0023364 k( 25) = ( 0.1846154 0.0000000 0.1846154), wk = 0.0023364 k( 26) = ( 0.1923077 0.0000000 0.1923077), wk = 0.0023364 k( 27) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0023364 k( 28) = ( 0.2076923 0.0000000 0.2076923), wk = 0.0023364 k( 29) = ( 0.2153846 0.0000000 0.2153846), wk = 0.0023364 k( 30) = ( 0.2230769 0.0000000 0.2230769), wk = 0.0023364 k( 31) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0023364 k( 32) = ( 0.2384615 0.0000000 0.2384615), wk = 0.0023364 k( 33) = ( 0.2461539 0.0000000 0.2461539), wk = 0.0023364 k( 34) = ( 0.2538461 0.0000000 0.2538461), wk = 0.0023364 k( 35) = ( 0.2615385 0.0000000 0.2615385), wk = 0.0023364 k( 36) = ( 0.2692308 0.0000000 0.2692308), wk = 0.0023364 k( 37) = ( 0.2769231 0.0000000 0.2769231), wk = 0.0023364 k( 38) = ( 0.2846154 0.0000000 0.2846154), wk = 0.0023364 k( 39) = ( 0.2923077 0.0000000 0.2923077), wk = 0.0023364 k( 40) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0023364 k( 41) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0023364 k( 42) = ( 0.3153846 0.0000000 0.3153846), wk = 0.0023364 k( 43) = ( 0.3230769 0.0000000 0.3230769), wk = 0.0023364 k( 44) = ( 0.3307692 0.0000000 0.3307692), wk = 0.0023364 k( 45) = ( 0.3384615 0.0000000 0.3384615), wk = 0.0023364 k( 46) = ( 0.3461538 0.0000000 0.3461538), wk = 0.0023364 k( 47) = ( 0.3538462 0.0000000 0.3538462), wk = 0.0023364 k( 48) = ( 0.3615385 0.0000000 0.3615385), wk = 0.0023364 k( 49) = ( 0.3692308 0.0000000 0.3692308), wk = 0.0023364 k( 50) = ( 0.3769231 0.0000000 0.3769231), wk = 0.0023364 k( 51) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0023364 k( 52) = ( 0.3923077 0.0000000 0.3923077), wk = 0.0023364 k( 53) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0023364 k( 54) = ( 0.4076923 0.0000000 0.4076923), wk = 0.0023364 k( 55) = ( 0.4153846 0.0000000 0.4153846), wk = 0.0023364 k( 56) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0023364 k( 57) = ( 0.4307692 0.0000000 0.4307692), wk = 0.0023364 k( 58) = ( 0.4384615 0.0000000 0.4384615), wk = 0.0023364 k( 59) = ( 0.4461539 0.0000000 0.4461539), wk = 0.0023364 k( 60) = ( 0.4538462 0.0000000 0.4538462), wk = 0.0023364 k( 61) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0023364 k( 62) = ( 0.4692308 0.0000000 0.4692308), wk = 0.0023364 k( 63) = ( 0.4769231 0.0000000 0.4769231), wk = 0.0023364 k( 64) = ( 0.4846154 0.0000000 0.4846154), wk = 0.0023364 k( 65) = ( 0.4923077 -0.0000000 0.4923077), wk = 0.0023364 k( 66) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023364 k( 67) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023364 k( 68) = ( 0.5000000 0.0075758 0.5075758), wk = 0.0023364 k( 69) = ( 0.5000000 0.0151515 0.5151515), wk = 0.0023364 k( 70) = ( 0.5000000 0.0227273 0.5227273), wk = 0.0023364 k( 71) = ( 0.5000000 0.0303030 0.5303030), wk = 0.0023364 k( 72) = ( 0.5000000 0.0378788 0.5378788), wk = 0.0023364 k( 73) = ( 0.5000000 0.0454546 0.5454545), wk = 0.0023364 k( 74) = ( 0.5000000 0.0530303 0.5530303), wk = 0.0023364 k( 75) = ( 0.5000000 0.0606061 0.5606061), wk = 0.0023364 k( 76) = ( 0.5000000 0.0681818 0.5681818), wk = 0.0023364 k( 77) = ( 0.5000000 0.0757576 0.5757576), wk = 0.0023364 k( 78) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0023364 k( 79) = ( 0.5000000 0.0909091 0.5909091), wk = 0.0023364 k( 80) = ( 0.5000000 0.0984849 0.5984848), wk = 0.0023364 k( 81) = ( 0.5000000 0.1060606 0.6060606), wk = 0.0023364 k( 82) = ( 0.5000000 0.1136364 0.6136364), wk = 0.0023364 k( 83) = ( 0.5000000 0.1212121 0.6212121), wk = 0.0023364 k( 84) = ( 0.5000000 0.1287879 0.6287879), wk = 0.0023364 k( 85) = ( 0.5000000 0.1363636 0.6363636), wk = 0.0023364 k( 86) = ( 0.5000000 0.1439394 0.6439394), wk = 0.0023364 k( 87) = ( 0.5000000 0.1515152 0.6515152), wk = 0.0023364 k( 88) = ( 0.5000000 0.1590909 0.6590909), wk = 0.0023364 k( 89) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0023364 k( 90) = ( 0.5000000 0.1742424 0.6742424), wk = 0.0023364 k( 91) = ( 0.5000000 0.1818182 0.6818182), wk = 0.0023364 k( 92) = ( 0.5000000 0.1893939 0.6893939), wk = 0.0023364 k( 93) = ( 0.5000000 0.1969697 0.6969697), wk = 0.0023364 k( 94) = ( 0.5000000 0.2045455 0.7045455), wk = 0.0023364 k( 95) = ( 0.5000000 0.2121212 0.7121212), wk = 0.0023364 k( 96) = ( 0.5000000 0.2196970 0.7196970), wk = 0.0023364 k( 97) = ( 0.5000000 0.2272727 0.7272727), wk = 0.0023364 k( 98) = ( 0.5000000 0.2348485 0.7348485), wk = 0.0023364 k( 99) = ( 0.5000000 0.2424242 0.7424242), wk = 0.0023364 k( 100) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023364 k( 101) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023364 k( 102) = ( 0.4945652 0.2554348 0.7500000), wk = 0.0023364 k( 103) = ( 0.4891304 0.2608696 0.7500000), wk = 0.0023364 k( 104) = ( 0.4836956 0.2663044 0.7500000), wk = 0.0023364 k( 105) = ( 0.4782609 0.2717391 0.7500000), wk = 0.0023364 k( 106) = ( 0.4728261 0.2771739 0.7500000), wk = 0.0023364 k( 107) = ( 0.4673913 0.2826087 0.7500000), wk = 0.0023364 k( 108) = ( 0.4619565 0.2880435 0.7500000), wk = 0.0023364 k( 109) = ( 0.4565217 0.2934783 0.7500000), wk = 0.0023364 k( 110) = ( 0.4510870 0.2989130 0.7500000), wk = 0.0023364 k( 111) = ( 0.4456522 0.3043478 0.7500000), wk = 0.0023364 k( 112) = ( 0.4402174 0.3097826 0.7500000), wk = 0.0023364 k( 113) = ( 0.4347826 0.3152174 0.7500000), wk = 0.0023364 k( 114) = ( 0.4293478 0.3206522 0.7500000), wk = 0.0023364 k( 115) = ( 0.4239130 0.3260870 0.7500000), wk = 0.0023364 k( 116) = ( 0.4184783 0.3315217 0.7500000), wk = 0.0023364 k( 117) = ( 0.4130435 0.3369565 0.7500000), wk = 0.0023364 k( 118) = ( 0.4076087 0.3423913 0.7500000), wk = 0.0023364 k( 119) = ( 0.4021739 0.3478261 0.7500000), wk = 0.0023364 k( 120) = ( 0.3967391 0.3532609 0.7500000), wk = 0.0023364 k( 121) = ( 0.3913044 0.3586956 0.7500000), wk = 0.0023364 k( 122) = ( 0.3858696 0.3641304 0.7500000), wk = 0.0023364 k( 123) = ( 0.3804348 0.3695652 0.7500000), wk = 0.0023364 k( 124) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0023364 k( 125) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0023364 k( 126) = ( 0.3695652 0.3695652 0.7391304), wk = 0.0023364 k( 127) = ( 0.3641304 0.3641304 0.7282609), wk = 0.0023364 k( 128) = ( 0.3586956 0.3586956 0.7173913), wk = 0.0023364 k( 129) = ( 0.3532609 0.3532609 0.7065217), wk = 0.0023364 k( 130) = ( 0.3478261 0.3478261 0.6956522), wk = 0.0023364 k( 131) = ( 0.3423913 0.3423913 0.6847826), wk = 0.0023364 k( 132) = ( 0.3369565 0.3369565 0.6739130), wk = 0.0023364 k( 133) = ( 0.3315217 0.3315217 0.6630435), wk = 0.0023364 k( 134) = ( 0.3260870 0.3260870 0.6521739), wk = 0.0023364 k( 135) = ( 0.3206522 0.3206522 0.6413043), wk = 0.0023364 k( 136) = ( 0.3152174 0.3152174 0.6304348), wk = 0.0023364 k( 137) = ( 0.3097826 0.3097826 0.6195652), wk = 0.0023364 k( 138) = ( 0.3043478 0.3043478 0.6086957), wk = 0.0023364 k( 139) = ( 0.2989130 0.2989130 0.5978261), wk = 0.0023364 k( 140) = ( 0.2934783 0.2934783 0.5869565), wk = 0.0023364 k( 141) = ( 0.2880435 0.2880435 0.5760870), wk = 0.0023364 k( 142) = ( 0.2826087 0.2826087 0.5652174), wk = 0.0023364 k( 143) = ( 0.2771739 0.2771739 0.5543478), wk = 0.0023364 k( 144) = ( 0.2717391 0.2717391 0.5434783), wk = 0.0023364 k( 145) = ( 0.2663044 0.2663044 0.5326087), wk = 0.0023364 k( 146) = ( 0.2608696 0.2608696 0.5217391), wk = 0.0023364 k( 147) = ( 0.2554348 0.2554348 0.5108696), wk = 0.0023364 k( 148) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0023364 k( 149) = ( 0.2445652 0.2445652 0.4891304), wk = 0.0023364 k( 150) = ( 0.2391304 0.2391304 0.4782609), wk = 0.0023364 k( 151) = ( 0.2336957 0.2336957 0.4673913), wk = 0.0023364 k( 152) = ( 0.2282609 0.2282609 0.4565217), wk = 0.0023364 k( 153) = ( 0.2228261 0.2228261 0.4456522), wk = 0.0023364 k( 154) = ( 0.2173913 0.2173913 0.4347826), wk = 0.0023364 k( 155) = ( 0.2119565 0.2119565 0.4239130), wk = 0.0023364 k( 156) = ( 0.2065217 0.2065217 0.4130435), wk = 0.0023364 k( 157) = ( 0.2010870 0.2010870 0.4021739), wk = 0.0023364 k( 158) = ( 0.1956522 0.1956522 0.3913044), wk = 0.0023364 k( 159) = ( 0.1902174 0.1902174 0.3804348), wk = 0.0023364 k( 160) = ( 0.1847826 0.1847826 0.3695652), wk = 0.0023364 k( 161) = ( 0.1793478 0.1793478 0.3586956), wk = 0.0023364 k( 162) = ( 0.1739130 0.1739130 0.3478261), wk = 0.0023364 k( 163) = ( 0.1684783 0.1684783 0.3369565), wk = 0.0023364 k( 164) = ( 0.1630435 0.1630435 0.3260870), wk = 0.0023364 k( 165) = ( 0.1576087 0.1576087 0.3152174), wk = 0.0023364 k( 166) = ( 0.1521739 0.1521739 0.3043478), wk = 0.0023364 k( 167) = ( 0.1467391 0.1467391 0.2934783), wk = 0.0023364 k( 168) = ( 0.1413043 0.1413043 0.2826087), wk = 0.0023364 k( 169) = ( 0.1358696 0.1358696 0.2717391), wk = 0.0023364 k( 170) = ( 0.1304348 0.1304348 0.2608696), wk = 0.0023364 k( 171) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0023364 k( 172) = ( 0.1195652 0.1195652 0.2391304), wk = 0.0023364 k( 173) = ( 0.1141304 0.1141304 0.2282609), wk = 0.0023364 k( 174) = ( 0.1086957 0.1086956 0.2173913), wk = 0.0023364 k( 175) = ( 0.1032609 0.1032609 0.2065217), wk = 0.0023364 k( 176) = ( 0.0978261 0.0978261 0.1956522), wk = 0.0023364 k( 177) = ( 0.0923913 0.0923913 0.1847826), wk = 0.0023364 k( 178) = ( 0.0869565 0.0869565 0.1739130), wk = 0.0023364 k( 179) = ( 0.0815217 0.0815217 0.1630435), wk = 0.0023364 k( 180) = ( 0.0760870 0.0760870 0.1521739), wk = 0.0023364 k( 181) = ( 0.0706522 0.0706522 0.1413043), wk = 0.0023364 k( 182) = ( 0.0652174 0.0652174 0.1304348), wk = 0.0023364 k( 183) = ( 0.0597826 0.0597826 0.1195652), wk = 0.0023364 k( 184) = ( 0.0543478 0.0543478 0.1086957), wk = 0.0023364 k( 185) = ( 0.0489130 0.0489130 0.0978261), wk = 0.0023364 k( 186) = ( 0.0434783 0.0434783 0.0869565), wk = 0.0023364 k( 187) = ( 0.0380435 0.0380435 0.0760870), wk = 0.0023364 k( 188) = ( 0.0326087 0.0326087 0.0652174), wk = 0.0023364 k( 189) = ( 0.0271739 0.0271739 0.0543478), wk = 0.0023364 k( 190) = ( 0.0217391 0.0217391 0.0434783), wk = 0.0023364 k( 191) = ( 0.0163043 0.0163043 0.0326087), wk = 0.0023364 k( 192) = ( 0.0108696 0.0108696 0.0217391), wk = 0.0023364 k( 193) = ( 0.0054348 0.0054348 0.0108696), wk = 0.0023364 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 196) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0023364 k( 197) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0023364 k( 198) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0023364 k( 199) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0023364 k( 200) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0023364 k( 201) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0023364 k( 202) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0023364 k( 203) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0023364 k( 204) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0023364 k( 205) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0023364 k( 206) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0023364 k( 207) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0023364 k( 208) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0023364 k( 209) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0023364 k( 210) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0023364 k( 211) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0023364 k( 212) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0023364 k( 213) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0023364 k( 214) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0023364 k( 215) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0023364 k( 216) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0023364 k( 217) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0023364 k( 218) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0023364 k( 219) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0023364 k( 220) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0023364 k( 221) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0023364 k( 222) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0023364 k( 223) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023364 k( 224) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0023364 k( 225) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0023364 k( 226) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0023364 k( 227) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0023364 k( 228) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0023364 k( 229) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0023364 k( 230) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0023364 k( 231) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0023364 k( 232) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0023364 k( 233) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0023364 k( 234) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0023364 k( 235) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0023364 k( 236) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0023364 k( 237) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0023364 k( 238) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0023364 k( 239) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0023364 k( 240) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0023364 k( 241) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0023364 k( 242) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0023364 k( 243) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0023364 k( 244) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0023364 k( 245) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0023364 k( 246) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0023364 k( 247) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0023364 k( 248) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0023364 k( 249) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0023364 k( 250) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0023364 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 253) = ( 0.5031250 0.4937500 0.5031250), wk = 0.0023364 k( 254) = ( 0.5062500 0.4875000 0.5062500), wk = 0.0023364 k( 255) = ( 0.5093750 0.4812500 0.5093750), wk = 0.0023364 k( 256) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0023364 k( 257) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0023364 k( 258) = ( 0.5187500 0.4625000 0.5187500), wk = 0.0023364 k( 259) = ( 0.5218750 0.4562500 0.5218750), wk = 0.0023364 k( 260) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0023364 k( 261) = ( 0.5281250 0.4437500 0.5281250), wk = 0.0023364 k( 262) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0023364 k( 263) = ( 0.5343750 0.4312500 0.5343750), wk = 0.0023364 k( 264) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0023364 k( 265) = ( 0.5406250 0.4187500 0.5406250), wk = 0.0023364 k( 266) = ( 0.5437500 0.4125000 0.5437500), wk = 0.0023364 k( 267) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0023364 k( 268) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0023364 k( 269) = ( 0.5531250 0.3937500 0.5531250), wk = 0.0023364 k( 270) = ( 0.5562500 0.3875000 0.5562500), wk = 0.0023364 k( 271) = ( 0.5593750 0.3812500 0.5593750), wk = 0.0023364 k( 272) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0023364 k( 273) = ( 0.5656250 0.3687500 0.5656250), wk = 0.0023364 k( 274) = ( 0.5687500 0.3625000 0.5687500), wk = 0.0023364 k( 275) = ( 0.5718750 0.3562500 0.5718750), wk = 0.0023364 k( 276) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0023364 k( 277) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0023364 k( 278) = ( 0.5812500 0.3375000 0.5812500), wk = 0.0023364 k( 279) = ( 0.5843750 0.3312500 0.5843750), wk = 0.0023364 k( 280) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0023364 k( 281) = ( 0.5906250 0.3187500 0.5906250), wk = 0.0023364 k( 282) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0023364 k( 283) = ( 0.5968750 0.3062500 0.5968750), wk = 0.0023364 k( 284) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0023364 k( 285) = ( 0.6031250 0.2937500 0.6031250), wk = 0.0023364 k( 286) = ( 0.6062500 0.2875000 0.6062500), wk = 0.0023364 k( 287) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0023364 k( 288) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0023364 k( 289) = ( 0.6156250 0.2687500 0.6156250), wk = 0.0023364 k( 290) = ( 0.6187500 0.2625000 0.6187500), wk = 0.0023364 k( 291) = ( 0.6218750 0.2562500 0.6218750), wk = 0.0023364 k( 292) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0023364 k( 293) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0023364 k( 294) = ( 0.6195652 0.2500000 0.6304348), wk = 0.0023364 k( 295) = ( 0.6141304 0.2500000 0.6358696), wk = 0.0023364 k( 296) = ( 0.6086957 0.2500000 0.6413043), wk = 0.0023364 k( 297) = ( 0.6032609 0.2500000 0.6467391), wk = 0.0023364 k( 298) = ( 0.5978261 0.2500000 0.6521739), wk = 0.0023364 k( 299) = ( 0.5923913 0.2500000 0.6576087), wk = 0.0023364 k( 300) = ( 0.5869565 0.2500000 0.6630435), wk = 0.0023364 k( 301) = ( 0.5815217 0.2500000 0.6684783), wk = 0.0023364 k( 302) = ( 0.5760870 0.2500000 0.6739130), wk = 0.0023364 k( 303) = ( 0.5706522 0.2500000 0.6793478), wk = 0.0023364 k( 304) = ( 0.5652174 0.2500000 0.6847826), wk = 0.0023364 k( 305) = ( 0.5597826 0.2500000 0.6902174), wk = 0.0023364 k( 306) = ( 0.5543478 0.2500000 0.6956522), wk = 0.0023364 k( 307) = ( 0.5489130 0.2500000 0.7010870), wk = 0.0023364 k( 308) = ( 0.5434783 0.2500000 0.7065217), wk = 0.0023364 k( 309) = ( 0.5380435 0.2500000 0.7119565), wk = 0.0023364 k( 310) = ( 0.5326087 0.2500000 0.7173913), wk = 0.0023364 k( 311) = ( 0.5271739 0.2500000 0.7228261), wk = 0.0023364 k( 312) = ( 0.5217391 0.2500000 0.7282609), wk = 0.0023364 k( 313) = ( 0.5163043 0.2500000 0.7336957), wk = 0.0023364 k( 314) = ( 0.5108696 0.2500000 0.7391304), wk = 0.0023364 k( 315) = ( 0.5054348 0.2500000 0.7445652), wk = 0.0023364 k( 316) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023364 k( 317) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023364 k( 318) = ( 0.5000000 0.2554348 0.7445652), wk = 0.0023364 k( 319) = ( 0.5000000 0.2608696 0.7391304), wk = 0.0023364 k( 320) = ( 0.5000000 0.2663044 0.7336956), wk = 0.0023364 k( 321) = ( 0.5000000 0.2717391 0.7282609), wk = 0.0023364 k( 322) = ( 0.5000000 0.2771739 0.7228261), wk = 0.0023364 k( 323) = ( 0.5000000 0.2826087 0.7173913), wk = 0.0023364 k( 324) = ( 0.5000000 0.2880435 0.7119565), wk = 0.0023364 k( 325) = ( 0.5000000 0.2934783 0.7065217), wk = 0.0023364 k( 326) = ( 0.5000000 0.2989130 0.7010870), wk = 0.0023364 k( 327) = ( 0.5000000 0.3043478 0.6956522), wk = 0.0023364 k( 328) = ( 0.5000000 0.3097826 0.6902174), wk = 0.0023364 k( 329) = ( 0.5000000 0.3152174 0.6847826), wk = 0.0023364 k( 330) = ( 0.5000000 0.3206522 0.6793478), wk = 0.0023364 k( 331) = ( 0.5000000 0.3260870 0.6739130), wk = 0.0023364 k( 332) = ( 0.5000000 0.3315217 0.6684783), wk = 0.0023364 k( 333) = ( 0.5000000 0.3369565 0.6630435), wk = 0.0023364 k( 334) = ( 0.5000000 0.3423913 0.6576087), wk = 0.0023364 k( 335) = ( 0.5000000 0.3478261 0.6521739), wk = 0.0023364 k( 336) = ( 0.5000000 0.3532609 0.6467391), wk = 0.0023364 k( 337) = ( 0.5000000 0.3586956 0.6413043), wk = 0.0023364 k( 338) = ( 0.5000000 0.3641304 0.6358696), wk = 0.0023364 k( 339) = ( 0.5000000 0.3695652 0.6304348), wk = 0.0023364 k( 340) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0023364 k( 341) = ( 0.5000000 0.3804348 0.6195652), wk = 0.0023364 k( 342) = ( 0.5000000 0.3858696 0.6141304), wk = 0.0023364 k( 343) = ( 0.5000000 0.3913044 0.6086957), wk = 0.0023364 k( 344) = ( 0.5000000 0.3967391 0.6032609), wk = 0.0023364 k( 345) = ( 0.5000000 0.4021739 0.5978261), wk = 0.0023364 k( 346) = ( 0.5000000 0.4076087 0.5923913), wk = 0.0023364 k( 347) = ( 0.5000000 0.4130435 0.5869565), wk = 0.0023364 k( 348) = ( 0.5000000 0.4184783 0.5815217), wk = 0.0023364 k( 349) = ( 0.5000000 0.4239130 0.5760870), wk = 0.0023364 k( 350) = ( 0.5000000 0.4293478 0.5706522), wk = 0.0023364 k( 351) = ( 0.5000000 0.4347826 0.5652174), wk = 0.0023364 k( 352) = ( 0.5000000 0.4402174 0.5597826), wk = 0.0023364 k( 353) = ( 0.5000000 0.4456522 0.5543478), wk = 0.0023364 k( 354) = ( 0.5000000 0.4510870 0.5489130), wk = 0.0023364 k( 355) = ( 0.5000000 0.4565217 0.5434783), wk = 0.0023364 k( 356) = ( 0.5000000 0.4619565 0.5380435), wk = 0.0023364 k( 357) = ( 0.5000000 0.4673913 0.5326087), wk = 0.0023364 k( 358) = ( 0.5000000 0.4728261 0.5271739), wk = 0.0023364 k( 359) = ( 0.5000000 0.4782609 0.5217391), wk = 0.0023364 k( 360) = ( 0.5000000 0.4836956 0.5163043), wk = 0.0023364 k( 361) = ( 0.5000000 0.4891304 0.5108696), wk = 0.0023364 k( 362) = ( 0.5000000 0.4945652 0.5054348), wk = 0.0023364 k( 363) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 364) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 365) = ( 0.4968750 0.4968750 0.5062500), wk = 0.0023364 k( 366) = ( 0.4937500 0.4937500 0.5125000), wk = 0.0023364 k( 367) = ( 0.4906250 0.4906250 0.5187500), wk = 0.0023364 k( 368) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0023364 k( 369) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0023364 k( 370) = ( 0.4812500 0.4812500 0.5375000), wk = 0.0023364 k( 371) = ( 0.4781250 0.4781250 0.5437500), wk = 0.0023364 k( 372) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0023364 k( 373) = ( 0.4718750 0.4718750 0.5562500), wk = 0.0023364 k( 374) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0023364 k( 375) = ( 0.4656250 0.4656250 0.5687500), wk = 0.0023364 k( 376) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0023364 k( 377) = ( 0.4593750 0.4593750 0.5812500), wk = 0.0023364 k( 378) = ( 0.4562500 0.4562500 0.5875000), wk = 0.0023364 k( 379) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0023364 k( 380) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0023364 k( 381) = ( 0.4468750 0.4468750 0.6062500), wk = 0.0023364 k( 382) = ( 0.4437500 0.4437500 0.6125000), wk = 0.0023364 k( 383) = ( 0.4406250 0.4406250 0.6187500), wk = 0.0023364 k( 384) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0023364 k( 385) = ( 0.4343750 0.4343750 0.6312500), wk = 0.0023364 k( 386) = ( 0.4312500 0.4312500 0.6375000), wk = 0.0023364 k( 387) = ( 0.4281250 0.4281250 0.6437500), wk = 0.0023364 k( 388) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0023364 k( 389) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0023364 k( 390) = ( 0.4187500 0.4187500 0.6625000), wk = 0.0023364 k( 391) = ( 0.4156250 0.4156250 0.6687500), wk = 0.0023364 k( 392) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0023364 k( 393) = ( 0.4093750 0.4093750 0.6812500), wk = 0.0023364 k( 394) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0023364 k( 395) = ( 0.4031250 0.4031250 0.6937500), wk = 0.0023364 k( 396) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0023364 k( 397) = ( 0.3968750 0.3968750 0.7062500), wk = 0.0023364 k( 398) = ( 0.3937500 0.3937500 0.7125000), wk = 0.0023364 k( 399) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0023364 k( 400) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0023364 k( 401) = ( 0.3843750 0.3843750 0.7312500), wk = 0.0023364 k( 402) = ( 0.3812500 0.3812500 0.7375000), wk = 0.0023364 k( 403) = ( 0.3781250 0.3781250 0.7437500), wk = 0.0023364 k( 404) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0023364 k( 405) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0023364 k( 406) = ( 0.6195652 0.2391304 0.6195652), wk = 0.0023364 k( 407) = ( 0.6141304 0.2282609 0.6141304), wk = 0.0023364 k( 408) = ( 0.6086957 0.2173913 0.6086957), wk = 0.0023364 k( 409) = ( 0.6032609 0.2065217 0.6032609), wk = 0.0023364 k( 410) = ( 0.5978261 0.1956522 0.5978261), wk = 0.0023364 k( 411) = ( 0.5923913 0.1847826 0.5923913), wk = 0.0023364 k( 412) = ( 0.5869565 0.1739130 0.5869565), wk = 0.0023364 k( 413) = ( 0.5815217 0.1630435 0.5815217), wk = 0.0023364 k( 414) = ( 0.5760870 0.1521739 0.5760870), wk = 0.0023364 k( 415) = ( 0.5706522 0.1413044 0.5706522), wk = 0.0023364 k( 416) = ( 0.5652174 0.1304348 0.5652174), wk = 0.0023364 k( 417) = ( 0.5597826 0.1195652 0.5597826), wk = 0.0023364 k( 418) = ( 0.5543478 0.1086957 0.5543478), wk = 0.0023364 k( 419) = ( 0.5489130 0.0978261 0.5489130), wk = 0.0023364 k( 420) = ( 0.5434783 0.0869565 0.5434783), wk = 0.0023364 k( 421) = ( 0.5380435 0.0760870 0.5380435), wk = 0.0023364 k( 422) = ( 0.5326087 0.0652174 0.5326087), wk = 0.0023364 k( 423) = ( 0.5271739 0.0543478 0.5271739), wk = 0.0023364 k( 424) = ( 0.5217391 0.0434783 0.5217391), wk = 0.0023364 k( 425) = ( 0.5163043 0.0326087 0.5163043), wk = 0.0023364 k( 426) = ( 0.5108696 0.0217391 0.5108696), wk = 0.0023364 k( 427) = ( 0.5054348 0.0108696 0.5054348), wk = 0.0023364 k( 428) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023364 Dense grid: 19339 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 14361 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 102, 18) NL pseudopotentials 0.01 Mb ( 51, 16) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 536) G-vector shells 0.00 Mb ( 184) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 102, 72) Each subspace H/S matrix 0.00 Mb ( 18, 18) Each matrix 0.01 Mb ( 16, 2, 18) The potential is recalculated from file : ./NaH.save/charge-density.dat Starting wfc are 12 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 0.9 secs Computing kpt #: 2 total cpu time spent up to now is 1.0 secs Computing kpt #: 3 total cpu time spent up to now is 1.1 secs Computing kpt #: 4 total cpu time spent up to now is 1.2 secs Computing kpt #: 5 total cpu time spent up to now is 1.2 secs Computing kpt #: 6 total cpu time spent up to now is 1.3 secs Computing kpt #: 7 total cpu time spent up to now is 1.3 secs Computing kpt #: 8 total cpu time spent up to now is 1.4 secs Computing kpt #: 9 total cpu time spent up to now is 1.5 secs Computing kpt #: 10 total cpu time spent up to now is 1.5 secs Computing kpt #: 11 total cpu time spent up to now is 1.6 secs Computing kpt #: 12 total cpu time spent up to now is 1.7 secs Computing kpt #: 13 total cpu time spent up to now is 1.7 secs Computing kpt #: 14 total cpu time spent up to now is 1.8 secs Computing kpt #: 15 total cpu time spent up to now is 1.9 secs Computing kpt #: 16 total cpu time spent up to now is 1.9 secs Computing kpt #: 17 total cpu time spent up to now is 2.0 secs Computing kpt #: 18 total cpu time spent up to now is 2.0 secs Computing kpt #: 19 total cpu time spent up to now is 2.1 secs Computing kpt #: 20 total cpu time spent up to now is 2.2 secs Computing kpt #: 21 total cpu time spent up to now is 2.2 secs Computing kpt #: 22 total cpu time spent up to now is 2.3 secs Computing kpt #: 23 total cpu time spent up to now is 2.3 secs Computing kpt #: 24 total cpu time spent up to now is 2.4 secs Computing kpt #: 25 total cpu time spent up to now is 2.5 secs Computing kpt #: 26 total cpu time spent up to now is 2.5 secs Computing kpt #: 27 total cpu time spent up to now is 2.6 secs Computing kpt #: 28 total cpu time spent up to now is 2.6 secs Computing kpt #: 29 total cpu time spent up to now is 2.7 secs Computing kpt #: 30 total cpu time spent up to now is 2.8 secs Computing kpt #: 31 total cpu time spent up to now is 2.8 secs Computing kpt #: 32 total cpu time spent up to now is 2.9 secs Computing kpt #: 33 total cpu time spent up to now is 2.9 secs Computing kpt #: 34 total cpu time spent up to now is 3.0 secs Computing kpt #: 35 total cpu time spent up to now is 3.0 secs Computing kpt #: 36 total cpu time spent up to now is 3.1 secs Computing kpt #: 37 total cpu time spent up to now is 3.2 secs Computing kpt #: 38 total cpu time spent up to now is 3.2 secs Computing kpt #: 39 total cpu time spent up to now is 3.3 secs Computing kpt #: 40 total cpu time spent up to now is 3.3 secs Computing kpt #: 41 total cpu time spent up to now is 3.4 secs Computing kpt #: 42 total cpu time spent up to now is 3.4 secs Computing kpt #: 43 total cpu time spent up to now is 3.5 secs Computing kpt #: 44 total cpu time spent up to now is 3.6 secs Computing kpt #: 45 total cpu time spent up to now is 3.6 secs Computing kpt #: 46 total cpu time spent up to now is 3.7 secs Computing kpt #: 47 total cpu time spent up to now is 3.7 secs Computing kpt #: 48 total cpu time spent up to now is 3.8 secs Computing kpt #: 49 total cpu time spent up to now is 3.8 secs Computing kpt #: 50 total cpu time spent up to now is 3.9 secs Computing kpt #: 51 total cpu time spent up to now is 3.9 secs Computing kpt #: 52 total cpu time spent up to now is 4.0 secs Computing kpt #: 53 total cpu time spent up to now is 4.1 secs Computing kpt #: 54 total cpu time spent up to now is 4.1 secs Computing kpt #: 55 total cpu time spent up to now is 4.2 secs Computing kpt #: 56 total cpu time spent up to now is 4.2 secs Computing kpt #: 57 total cpu time spent up to now is 4.3 secs Computing kpt #: 58 total cpu time spent up to now is 4.3 secs Computing kpt #: 59 total cpu time spent up to now is 4.4 secs Computing kpt #: 60 total cpu time spent up to now is 4.4 secs Computing kpt #: 61 total cpu time spent up to now is 4.5 secs Computing kpt #: 62 total cpu time spent up to now is 4.5 secs Computing kpt #: 63 total cpu time spent up to now is 4.6 secs Computing kpt #: 64 total cpu time spent up to now is 4.7 secs Computing kpt #: 65 total cpu time spent up to now is 4.7 secs Computing kpt #: 66 total cpu time spent up to now is 4.8 secs Computing kpt #: 67 total cpu time spent up to now is 4.8 secs Computing kpt #: 68 total cpu time spent up to now is 4.9 secs Computing kpt #: 69 total cpu time spent up to now is 4.9 secs Computing kpt #: 70 total cpu time spent up to now is 5.0 secs Computing kpt #: 71 total cpu time spent up to now is 5.0 secs Computing kpt #: 72 total cpu time spent up to now is 5.1 secs Computing kpt #: 73 total cpu time spent up to now is 5.1 secs Computing kpt #: 74 total cpu time spent up to now is 5.2 secs Computing kpt #: 75 total cpu time spent up to now is 5.3 secs Computing kpt #: 76 total cpu time spent up to now is 5.3 secs Computing kpt #: 77 total cpu time spent up to now is 5.4 secs Computing kpt #: 78 total cpu time spent up to now is 5.4 secs Computing kpt #: 79 total cpu time spent up to now is 5.5 secs Computing kpt #: 80 total cpu time spent up to now is 5.5 secs Computing kpt #: 81 total cpu time spent up to now is 5.6 secs Computing kpt #: 82 total cpu time spent up to now is 5.7 secs Computing kpt #: 83 total cpu time spent up to now is 5.7 secs Computing kpt #: 84 total cpu time spent up to now is 5.8 secs Computing kpt #: 85 total cpu time spent up to now is 5.8 secs Computing kpt #: 86 total cpu time spent up to now is 5.9 secs Computing kpt #: 87 total cpu time spent up to now is 5.9 secs Computing kpt #: 88 total cpu time spent up to now is 6.0 secs Computing kpt #: 89 total cpu time spent up to now is 6.1 secs Computing kpt #: 90 total cpu time spent up to now is 6.1 secs Computing kpt #: 91 total cpu time spent up to now is 6.2 secs Computing kpt #: 92 total cpu time spent up to now is 6.2 secs Computing kpt #: 93 total cpu time spent up to now is 6.3 secs Computing kpt #: 94 total cpu time spent up to now is 6.4 secs Computing kpt #: 95 total cpu time spent up to now is 6.4 secs Computing kpt #: 96 total cpu time spent up to now is 6.5 secs Computing kpt #: 97 total cpu time spent up to now is 6.5 secs Computing kpt #: 98 total cpu time spent up to now is 6.6 secs Computing kpt #: 99 total cpu time spent up to now is 6.6 secs Computing kpt #: 100 total cpu time spent up to now is 6.7 secs Computing kpt #: 101 total cpu time spent up to now is 6.7 secs Computing kpt #: 102 total cpu time spent up to now is 6.8 secs Computing kpt #: 103 total cpu time spent up to now is 6.8 secs Computing kpt #: 104 total cpu time spent up to now is 6.9 secs Computing kpt #: 105 total cpu time spent up to now is 6.9 secs Computing kpt #: 106 total cpu time spent up to now is 7.0 secs Computing kpt #: 107 total cpu time spent up to now is 7.1 secs Computing kpt #: 108 total cpu time spent up to now is 7.1 secs Computing kpt #: 109 total cpu time spent up to now is 7.2 secs Computing kpt #: 110 total cpu time spent up to now is 7.2 secs Computing kpt #: 111 total cpu time spent up to now is 7.3 secs Computing kpt #: 112 total cpu time spent up to now is 7.3 secs Computing kpt #: 113 total cpu time spent up to now is 7.4 secs Computing kpt #: 114 total cpu time spent up to now is 7.4 secs Computing kpt #: 115 total cpu time spent up to now is 7.5 secs Computing kpt #: 116 total cpu time spent up to now is 7.5 secs Computing kpt #: 117 total cpu time spent up to now is 7.6 secs Computing kpt #: 118 total cpu time spent up to now is 7.6 secs Computing kpt #: 119 total cpu time spent up to now is 7.7 secs Computing kpt #: 120 total cpu time spent up to now is 7.7 secs Computing kpt #: 121 total cpu time spent up to now is 7.8 secs Computing kpt #: 122 total cpu time spent up to now is 7.8 secs Computing kpt #: 123 total cpu time spent up to now is 7.9 secs Computing kpt #: 124 total cpu time spent up to now is 7.9 secs Computing kpt #: 125 total cpu time spent up to now is 8.0 secs Computing kpt #: 126 total cpu time spent up to now is 8.0 secs Computing kpt #: 127 total cpu time spent up to now is 8.1 secs Computing kpt #: 128 total cpu time spent up to now is 8.1 secs Computing kpt #: 129 total cpu time spent up to now is 8.2 secs Computing kpt #: 130 total cpu time spent up to now is 8.2 secs Computing kpt #: 131 total cpu time spent up to now is 8.3 secs Computing kpt #: 132 total cpu time spent up to now is 8.3 secs Computing kpt #: 133 total cpu time spent up to now is 8.4 secs Computing kpt #: 134 total cpu time spent up to now is 8.4 secs Computing kpt #: 135 total cpu time spent up to now is 8.5 secs Computing kpt #: 136 total cpu time spent up to now is 8.5 secs Computing kpt #: 137 total cpu time spent up to now is 8.6 secs Computing kpt #: 138 total cpu time spent up to now is 8.6 secs Computing kpt #: 139 total cpu time spent up to now is 8.7 secs Computing kpt #: 140 total cpu time spent up to now is 8.7 secs Computing kpt #: 141 total cpu time spent up to now is 8.8 secs Computing kpt #: 142 total cpu time spent up to now is 8.8 secs Computing kpt #: 143 total cpu time spent up to now is 8.9 secs Computing kpt #: 144 total cpu time spent up to now is 8.9 secs Computing kpt #: 145 total cpu time spent up to now is 9.0 secs Computing kpt #: 146 total cpu time spent up to now is 9.0 secs Computing kpt #: 147 total cpu time spent up to now is 9.1 secs Computing kpt #: 148 total cpu time spent up to now is 9.1 secs Computing kpt #: 149 total cpu time spent up to now is 9.2 secs Computing kpt #: 150 total cpu time spent up to now is 9.2 secs Computing kpt #: 151 total cpu time spent up to now is 9.3 secs Computing kpt #: 152 total cpu time spent up to now is 9.3 secs Computing kpt #: 153 total cpu time spent up to now is 9.4 secs Computing kpt #: 154 total cpu time spent up to now is 9.5 secs Computing kpt #: 155 total cpu time spent up to now is 9.5 secs Computing kpt #: 156 total cpu time spent up to now is 9.6 secs Computing kpt #: 157 total cpu time spent up to now is 9.6 secs Computing kpt #: 158 total cpu time spent up to now is 9.7 secs Computing kpt #: 159 total cpu time spent up to now is 9.7 secs Computing kpt #: 160 total cpu time spent up to now is 9.8 secs Computing kpt #: 161 total cpu time spent up to now is 9.9 secs Computing kpt #: 162 total cpu time spent up to now is 9.9 secs Computing kpt #: 163 total cpu time spent up to now is 10.0 secs Computing kpt #: 164 total cpu time spent up to now is 10.0 secs Computing kpt #: 165 total cpu time spent up to now is 10.1 secs Computing kpt #: 166 total cpu time spent up to now is 10.2 secs Computing kpt #: 167 total cpu time spent up to now is 10.2 secs Computing kpt #: 168 total cpu time spent up to now is 10.3 secs Computing kpt #: 169 total cpu time spent up to now is 10.4 secs Computing kpt #: 170 total cpu time spent up to now is 10.4 secs Computing kpt #: 171 total cpu time spent up to now is 10.5 secs Computing kpt #: 172 total cpu time spent up to now is 10.6 secs Computing kpt #: 173 total cpu time spent up to now is 10.6 secs Computing kpt #: 174 total cpu time spent up to now is 10.7 secs Computing kpt #: 175 total cpu time spent up to now is 10.8 secs Computing kpt #: 176 total cpu time spent up to now is 10.8 secs Computing kpt #: 177 total cpu time spent up to now is 10.9 secs Computing kpt #: 178 total cpu time spent up to now is 11.0 secs Computing kpt #: 179 total cpu time spent up to now is 11.1 secs Computing kpt #: 180 total cpu time spent up to now is 11.1 secs Computing kpt #: 181 total cpu time spent up to now is 11.2 secs Computing kpt #: 182 total cpu time spent up to now is 11.3 secs Computing kpt #: 183 total cpu time spent up to now is 11.4 secs Computing kpt #: 184 total cpu time spent up to now is 11.4 secs Computing kpt #: 185 total cpu time spent up to now is 11.5 secs Computing kpt #: 186 total cpu time spent up to now is 11.6 secs Computing kpt #: 187 total cpu time spent up to now is 11.6 secs Computing kpt #: 188 total cpu time spent up to now is 11.7 secs Computing kpt #: 189 total cpu time spent up to now is 11.8 secs Computing kpt #: 190 total cpu time spent up to now is 11.8 secs Computing kpt #: 191 total cpu time spent up to now is 11.9 secs Computing kpt #: 192 total cpu time spent up to now is 12.0 secs Computing kpt #: 193 total cpu time spent up to now is 12.0 secs Computing kpt #: 194 total cpu time spent up to now is 12.1 secs Computing kpt #: 195 total cpu time spent up to now is 12.2 secs Computing kpt #: 196 total cpu time spent up to now is 12.3 secs Computing kpt #: 197 total cpu time spent up to now is 12.3 secs Computing kpt #: 198 total cpu time spent up to now is 12.4 secs Computing kpt #: 199 total cpu time spent up to now is 12.5 secs Computing kpt #: 200 total cpu time spent up to now is 12.5 secs Computing kpt #: 201 total cpu time spent up to now is 12.6 secs Computing kpt #: 202 total cpu time spent up to now is 12.7 secs Computing kpt #: 203 total cpu time spent up to now is 12.7 secs Computing kpt #: 204 total cpu time spent up to now is 12.8 secs Computing kpt #: 205 total cpu time spent up to now is 12.8 secs Computing kpt #: 206 total cpu time spent up to now is 12.9 secs Computing kpt #: 207 total cpu time spent up to now is 13.0 secs Computing kpt #: 208 total cpu time spent up to now is 13.0 secs Computing kpt #: 209 total cpu time spent up to now is 13.1 secs Computing kpt #: 210 total cpu time spent up to now is 13.1 secs Computing kpt #: 211 total cpu time spent up to now is 13.2 secs Computing kpt #: 212 total cpu time spent up to now is 13.2 secs Computing kpt #: 213 total cpu time spent up to now is 13.3 secs Computing kpt #: 214 total cpu time spent up to now is 13.4 secs Computing kpt #: 215 total cpu time spent up to now is 13.4 secs Computing kpt #: 216 total cpu time spent up to now is 13.5 secs Computing kpt #: 217 total cpu time spent up to now is 13.5 secs Computing kpt #: 218 total cpu time spent up to now is 13.6 secs Computing kpt #: 219 total cpu time spent up to now is 13.7 secs Computing kpt #: 220 total cpu time spent up to now is 13.7 secs Computing kpt #: 221 total cpu time spent up to now is 13.8 secs Computing kpt #: 222 total cpu time spent up to now is 13.8 secs Computing kpt #: 223 total cpu time spent up to now is 13.9 secs Computing kpt #: 224 total cpu time spent up to now is 13.9 secs Computing kpt #: 225 total cpu time spent up to now is 14.0 secs Computing kpt #: 226 total cpu time spent up to now is 14.1 secs Computing kpt #: 227 total cpu time spent up to now is 14.1 secs Computing kpt #: 228 total cpu time spent up to now is 14.2 secs Computing kpt #: 229 total cpu time spent up to now is 14.2 secs Computing kpt #: 230 total cpu time spent up to now is 14.3 secs Computing kpt #: 231 total cpu time spent up to now is 14.3 secs Computing kpt #: 232 total cpu time spent up to now is 14.4 secs Computing kpt #: 233 total cpu time spent up to now is 14.5 secs Computing kpt #: 234 total cpu time spent up to now is 14.5 secs Computing kpt #: 235 total cpu time spent up to now is 14.6 secs Computing kpt #: 236 total cpu time spent up to now is 14.6 secs Computing kpt #: 237 total cpu time spent up to now is 14.7 secs Computing kpt #: 238 total cpu time spent up to now is 14.7 secs Computing kpt #: 239 total cpu time spent up to now is 14.8 secs Computing kpt #: 240 total cpu time spent up to now is 14.9 secs Computing kpt #: 241 total cpu time spent up to now is 14.9 secs Computing kpt #: 242 total cpu time spent up to now is 15.0 secs Computing kpt #: 243 total cpu time spent up to now is 15.0 secs Computing kpt #: 244 total cpu time spent up to now is 15.1 secs Computing kpt #: 245 total cpu time spent up to now is 15.1 secs Computing kpt #: 246 total cpu time spent up to now is 15.2 secs Computing kpt #: 247 total cpu time spent up to now is 15.3 secs Computing kpt #: 248 total cpu time spent up to now is 15.3 secs Computing kpt #: 249 total cpu time spent up to now is 15.4 secs Computing kpt #: 250 total cpu time spent up to now is 15.4 secs Computing kpt #: 251 total cpu time spent up to now is 15.5 secs Computing kpt #: 252 total cpu time spent up to now is 15.5 secs Computing kpt #: 253 total cpu time spent up to now is 15.6 secs Computing kpt #: 254 total cpu time spent up to now is 15.7 secs Computing kpt #: 255 total cpu time spent up to now is 15.7 secs Computing kpt #: 256 total cpu time spent up to now is 15.8 secs Computing kpt #: 257 total cpu time spent up to now is 15.8 secs Computing kpt #: 258 total cpu time spent up to now is 15.9 secs Computing kpt #: 259 total cpu time spent up to now is 15.9 secs Computing kpt #: 260 total cpu time spent up to now is 16.0 secs Computing kpt #: 261 total cpu time spent up to now is 16.1 secs Computing kpt #: 262 total cpu time spent up to now is 16.1 secs Computing kpt #: 263 total cpu time spent up to now is 16.2 secs Computing kpt #: 264 total cpu time spent up to now is 16.2 secs Computing kpt #: 265 total cpu time spent up to now is 16.3 secs Computing kpt #: 266 total cpu time spent up to now is 16.3 secs Computing kpt #: 267 total cpu time spent up to now is 16.4 secs Computing kpt #: 268 total cpu time spent up to now is 16.4 secs Computing kpt #: 269 total cpu time spent up to now is 16.5 secs Computing kpt #: 270 total cpu time spent up to now is 16.5 secs Computing kpt #: 271 total cpu time spent up to now is 16.6 secs Computing kpt #: 272 total cpu time spent up to now is 16.6 secs Computing kpt #: 273 total cpu time spent up to now is 16.7 secs Computing kpt #: 274 total cpu time spent up to now is 16.7 secs Computing kpt #: 275 total cpu time spent up to now is 16.8 secs Computing kpt #: 276 total cpu time spent up to now is 16.8 secs Computing kpt #: 277 total cpu time spent up to now is 16.9 secs Computing kpt #: 278 total cpu time spent up to now is 16.9 secs Computing kpt #: 279 total cpu time spent up to now is 17.0 secs Computing kpt #: 280 total cpu time spent up to now is 17.0 secs Computing kpt #: 281 total cpu time spent up to now is 17.2 secs Computing kpt #: 282 total cpu time spent up to now is 17.3 secs Computing kpt #: 283 total cpu time spent up to now is 17.3 secs Computing kpt #: 284 total cpu time spent up to now is 17.4 secs Computing kpt #: 285 total cpu time spent up to now is 17.4 secs Computing kpt #: 286 total cpu time spent up to now is 17.5 secs Computing kpt #: 287 total cpu time spent up to now is 17.5 secs Computing kpt #: 288 total cpu time spent up to now is 17.6 secs Computing kpt #: 289 total cpu time spent up to now is 17.6 secs Computing kpt #: 290 total cpu time spent up to now is 17.7 secs Computing kpt #: 291 total cpu time spent up to now is 17.7 secs Computing kpt #: 292 total cpu time spent up to now is 17.8 secs Computing kpt #: 293 total cpu time spent up to now is 17.8 secs Computing kpt #: 294 total cpu time spent up to now is 17.9 secs Computing kpt #: 295 total cpu time spent up to now is 17.9 secs Computing kpt #: 296 total cpu time spent up to now is 18.0 secs Computing kpt #: 297 total cpu time spent up to now is 18.0 secs Computing kpt #: 298 total cpu time spent up to now is 18.1 secs Computing kpt #: 299 total cpu time spent up to now is 18.1 secs Computing kpt #: 300 total cpu time spent up to now is 18.2 secs Computing kpt #: 301 total cpu time spent up to now is 18.2 secs Computing kpt #: 302 total cpu time spent up to now is 18.3 secs Computing kpt #: 303 total cpu time spent up to now is 18.3 secs Computing kpt #: 304 total cpu time spent up to now is 18.4 secs Computing kpt #: 305 total cpu time spent up to now is 18.4 secs Computing kpt #: 306 total cpu time spent up to now is 18.5 secs Computing kpt #: 307 total cpu time spent up to now is 18.5 secs Computing kpt #: 308 total cpu time spent up to now is 18.6 secs Computing kpt #: 309 total cpu time spent up to now is 18.6 secs Computing kpt #: 310 total cpu time spent up to now is 18.7 secs Computing kpt #: 311 total cpu time spent up to now is 18.8 secs Computing kpt #: 312 total cpu time spent up to now is 18.8 secs Computing kpt #: 313 total cpu time spent up to now is 18.9 secs Computing kpt #: 314 total cpu time spent up to now is 18.9 secs Computing kpt #: 315 total cpu time spent up to now is 19.0 secs Computing kpt #: 316 total cpu time spent up to now is 19.0 secs Computing kpt #: 317 total cpu time spent up to now is 19.1 secs Computing kpt #: 318 total cpu time spent up to now is 19.1 secs Computing kpt #: 319 total cpu time spent up to now is 19.2 secs Computing kpt #: 320 total cpu time spent up to now is 19.2 secs Computing kpt #: 321 total cpu time spent up to now is 19.3 secs Computing kpt #: 322 total cpu time spent up to now is 19.3 secs Computing kpt #: 323 total cpu time spent up to now is 19.4 secs Computing kpt #: 324 total cpu time spent up to now is 19.4 secs Computing kpt #: 325 total cpu time spent up to now is 19.5 secs Computing kpt #: 326 total cpu time spent up to now is 19.6 secs Computing kpt #: 327 total cpu time spent up to now is 19.6 secs Computing kpt #: 328 total cpu time spent up to now is 19.7 secs Computing kpt #: 329 total cpu time spent up to now is 19.7 secs Computing kpt #: 330 total cpu time spent up to now is 19.8 secs Computing kpt #: 331 total cpu time spent up to now is 19.8 secs Computing kpt #: 332 total cpu time spent up to now is 19.9 secs Computing kpt #: 333 total cpu time spent up to now is 19.9 secs Computing kpt #: 334 total cpu time spent up to now is 20.0 secs Computing kpt #: 335 total cpu time spent up to now is 20.0 secs Computing kpt #: 336 total cpu time spent up to now is 20.1 secs Computing kpt #: 337 total cpu time spent up to now is 20.2 secs Computing kpt #: 338 total cpu time spent up to now is 20.2 secs Computing kpt #: 339 total cpu time spent up to now is 20.3 secs Computing kpt #: 340 total cpu time spent up to now is 20.3 secs Computing kpt #: 341 total cpu time spent up to now is 20.4 secs Computing kpt #: 342 total cpu time spent up to now is 20.4 secs Computing kpt #: 343 total cpu time spent up to now is 20.5 secs Computing kpt #: 344 total cpu time spent up to now is 20.5 secs Computing kpt #: 345 total cpu time spent up to now is 20.6 secs Computing kpt #: 346 total cpu time spent up to now is 20.6 secs Computing kpt #: 347 total cpu time spent up to now is 20.7 secs Computing kpt #: 348 total cpu time spent up to now is 20.7 secs Computing kpt #: 349 total cpu time spent up to now is 20.8 secs Computing kpt #: 350 total cpu time spent up to now is 20.8 secs Computing kpt #: 351 total cpu time spent up to now is 20.9 secs Computing kpt #: 352 total cpu time spent up to now is 21.0 secs Computing kpt #: 353 total cpu time spent up to now is 21.0 secs Computing kpt #: 354 total cpu time spent up to now is 21.1 secs Computing kpt #: 355 total cpu time spent up to now is 21.1 secs Computing kpt #: 356 total cpu time spent up to now is 21.2 secs Computing kpt #: 357 total cpu time spent up to now is 21.2 secs Computing kpt #: 358 total cpu time spent up to now is 21.3 secs Computing kpt #: 359 total cpu time spent up to now is 21.4 secs Computing kpt #: 360 total cpu time spent up to now is 21.4 secs Computing kpt #: 361 total cpu time spent up to now is 21.5 secs Computing kpt #: 362 total cpu time spent up to now is 21.5 secs Computing kpt #: 363 total cpu time spent up to now is 21.6 secs Computing kpt #: 364 total cpu time spent up to now is 21.6 secs Computing kpt #: 365 total cpu time spent up to now is 21.7 secs Computing kpt #: 366 total cpu time spent up to now is 21.8 secs Computing kpt #: 367 total cpu time spent up to now is 21.8 secs Computing kpt #: 368 total cpu time spent up to now is 21.9 secs Computing kpt #: 369 total cpu time spent up to now is 21.9 secs Computing kpt #: 370 total cpu time spent up to now is 22.0 secs Computing kpt #: 371 total cpu time spent up to now is 22.0 secs Computing kpt #: 372 total cpu time spent up to now is 22.1 secs Computing kpt #: 373 total cpu time spent up to now is 22.2 secs Computing kpt #: 374 total cpu time spent up to now is 22.2 secs Computing kpt #: 375 total cpu time spent up to now is 22.3 secs Computing kpt #: 376 total cpu time spent up to now is 22.3 secs Computing kpt #: 377 total cpu time spent up to now is 22.4 secs Computing kpt #: 378 total cpu time spent up to now is 22.4 secs Computing kpt #: 379 total cpu time spent up to now is 22.5 secs Computing kpt #: 380 total cpu time spent up to now is 22.5 secs Computing kpt #: 381 total cpu time spent up to now is 22.6 secs Computing kpt #: 382 total cpu time spent up to now is 22.6 secs Computing kpt #: 383 total cpu time spent up to now is 22.7 secs Computing kpt #: 384 total cpu time spent up to now is 22.7 secs Computing kpt #: 385 total cpu time spent up to now is 22.8 secs Computing kpt #: 386 total cpu time spent up to now is 22.8 secs Computing kpt #: 387 total cpu time spent up to now is 22.9 secs Computing kpt #: 388 total cpu time spent up to now is 22.9 secs Computing kpt #: 389 total cpu time spent up to now is 23.0 secs Computing kpt #: 390 total cpu time spent up to now is 23.0 secs Computing kpt #: 391 total cpu time spent up to now is 23.4 secs Computing kpt #: 392 total cpu time spent up to now is 23.5 secs Computing kpt #: 393 total cpu time spent up to now is 23.5 secs Computing kpt #: 394 total cpu time spent up to now is 23.6 secs Computing kpt #: 395 total cpu time spent up to now is 23.6 secs Computing kpt #: 396 total cpu time spent up to now is 23.7 secs Computing kpt #: 397 total cpu time spent up to now is 23.7 secs Computing kpt #: 398 total cpu time spent up to now is 23.8 secs Computing kpt #: 399 total cpu time spent up to now is 23.8 secs Computing kpt #: 400 total cpu time spent up to now is 23.9 secs Computing kpt #: 401 total cpu time spent up to now is 23.9 secs Computing kpt #: 402 total cpu time spent up to now is 24.0 secs Computing kpt #: 403 total cpu time spent up to now is 24.0 secs Computing kpt #: 404 total cpu time spent up to now is 24.1 secs Computing kpt #: 405 total cpu time spent up to now is 24.1 secs Computing kpt #: 406 total cpu time spent up to now is 24.2 secs Computing kpt #: 407 total cpu time spent up to now is 24.2 secs Computing kpt #: 408 total cpu time spent up to now is 24.3 secs Computing kpt #: 409 total cpu time spent up to now is 24.3 secs Computing kpt #: 410 total cpu time spent up to now is 24.4 secs Computing kpt #: 411 total cpu time spent up to now is 24.4 secs Computing kpt #: 412 total cpu time spent up to now is 24.5 secs Computing kpt #: 413 total cpu time spent up to now is 24.5 secs Computing kpt #: 414 total cpu time spent up to now is 24.6 secs Computing kpt #: 415 total cpu time spent up to now is 24.6 secs Computing kpt #: 416 total cpu time spent up to now is 24.7 secs Computing kpt #: 417 total cpu time spent up to now is 24.7 secs Computing kpt #: 418 total cpu time spent up to now is 24.8 secs Computing kpt #: 419 total cpu time spent up to now is 24.8 secs Computing kpt #: 420 total cpu time spent up to now is 24.9 secs Computing kpt #: 421 total cpu time spent up to now is 25.0 secs Computing kpt #: 422 total cpu time spent up to now is 25.0 secs Computing kpt #: 423 total cpu time spent up to now is 25.1 secs Computing kpt #: 424 total cpu time spent up to now is 25.1 secs Computing kpt #: 425 total cpu time spent up to now is 25.2 secs Computing kpt #: 426 total cpu time spent up to now is 25.2 secs Computing kpt #: 427 total cpu time spent up to now is 25.3 secs Computing kpt #: 428 total cpu time spent up to now is 25.3 secs ethr = 1.00E-07, avg # of iterations = 11.0 total cpu time spent up to now is 25.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev): -49.8163 -49.8163 -21.8275 -21.8275 -21.6485 -21.6485 -21.6485 -21.6485 -3.0802 -3.0802 10.6149 10.6149 15.8587 15.8587 15.8587 15.8587 15.8587 15.8587 k = 0.0077-0.0044 0.0063 ( 1836 PWs) bands (ev): -49.8163 -49.8163 -21.8275 -21.8275 -21.6485 -21.6485 -21.6485 -21.6485 -3.0789 -3.0789 10.6108 10.6108 15.8245 15.8245 15.8249 15.8249 15.8390 15.8390 k = 0.0154-0.0089 0.0126 ( 1828 PWs) bands (ev): -49.8163 -49.8163 -21.8275 -21.8275 -21.6485 -21.6485 -21.6485 -21.6485 -3.0749 -3.0749 10.5983 10.5983 15.7366 15.7366 15.7380 15.7380 15.7827 15.7827 k = 0.0231-0.0133 0.0188 ( 1824 PWs) bands (ev): -49.8163 -49.8163 -21.8276 -21.8276 -21.6487 -21.6487 -21.6485 -21.6485 -3.0682 -3.0682 10.5776 10.5776 15.6194 15.6194 15.6216 15.6216 15.6967 15.6967 k = 0.0308-0.0178 0.0251 ( 1824 PWs) bands (ev): -49.8162 -49.8162 -21.8278 -21.8278 -21.6490 -21.6490 -21.6486 -21.6486 -3.0589 -3.0589 10.5488 10.5488 15.4881 15.4881 15.4910 15.4910 15.5887 15.5887 k = 0.0385-0.0222 0.0314 ( 1824 PWs) bands (ev): -49.8162 -49.8162 -21.8281 -21.8281 -21.6493 -21.6493 -21.6488 -21.6488 -3.0469 -3.0469 10.5122 10.5122 15.3506 15.3506 15.3539 15.3539 15.4655 15.4655 k = 0.0462-0.0266 0.0377 ( 1824 PWs) bands (ev): -49.8161 -49.8161 -21.8284 -21.8284 -21.6497 -21.6497 -21.6490 -21.6490 -3.0323 -3.0323 10.4681 10.4681 15.2105 15.2105 15.2143 15.2143 15.3323 15.3323 k = 0.0538-0.0311 0.0440 ( 1824 PWs) bands (ev): -49.8161 -49.8161 -21.8287 -21.8287 -21.6502 -21.6502 -21.6492 -21.6492 -3.0151 -3.0151 10.4168 10.4168 15.0699 15.0699 15.0740 15.0740 15.1925 15.1925 k = 0.0615-0.0355 0.0502 ( 1832 PWs) bands (ev): -49.8160 -49.8160 -21.8292 -21.8292 -21.6509 -21.6509 -21.6494 -21.6494 -2.9953 -2.9953 10.3587 10.3587 14.9299 14.9299 14.9343 14.9343 15.0488 15.0488 k = 0.0692-0.0400 0.0565 ( 1832 PWs) bands (ev): -49.8160 -49.8160 -21.8296 -21.8296 -21.6515 -21.6515 -21.6497 -21.6497 -2.9728 -2.9728 10.2941 10.2941 14.7911 14.7911 14.7959 14.7959 14.9030 14.9030 k = 0.0769-0.0444 0.0628 ( 1832 PWs) bands (ev): -49.8159 -49.8159 -21.8301 -21.8301 -21.6522 -21.6522 -21.6500 -21.6500 -2.9478 -2.9478 10.2235 10.2235 14.6541 14.6541 14.6591 14.6591 14.7562 14.7562 k = 0.0846-0.0489 0.0691 ( 1836 PWs) bands (ev): -49.8158 -49.8158 -21.8307 -21.8307 -21.6531 -21.6531 -21.6504 -21.6504 -2.9202 -2.9202 10.1472 10.1472 14.5190 14.5190 14.5243 14.5243 14.6093 14.6093 k = 0.0923-0.0533 0.0754 ( 1836 PWs) bands (ev): -49.8157 -49.8157 -21.8313 -21.8313 -21.6539 -21.6539 -21.6507 -21.6507 -2.8901 -2.8901 10.0657 10.0657 14.3861 14.3861 14.3916 14.3916 14.4631 14.4631 k = 0.1000-0.0577 0.0816 ( 1840 PWs) bands (ev): -49.8156 -49.8156 -21.8320 -21.8320 -21.6548 -21.6548 -21.6512 -21.6512 -2.8575 -2.8575 9.9793 9.9793 14.2555 14.2555 14.2612 14.2612 14.3180 14.3180 k = 0.1077-0.0622 0.0879 ( 1832 PWs) bands (ev): -49.8155 -49.8155 -21.8326 -21.8326 -21.6556 -21.6556 -21.6516 -21.6516 -2.8223 -2.8223 9.8885 9.8885 14.1272 14.1272 14.1331 14.1331 14.1743 14.1743 k = 0.1154-0.0666 0.0942 ( 1832 PWs) bands (ev): -49.8153 -49.8153 -21.8333 -21.8333 -21.6566 -21.6566 -21.6520 -21.6520 -2.7847 -2.7847 9.7937 9.7937 14.0014 14.0014 14.0075 14.0075 14.0323 14.0323 k = 0.1231-0.0711 0.1005 ( 1828 PWs) bands (ev): -49.8152 -49.8152 -21.8340 -21.8340 -21.6576 -21.6576 -21.6525 -21.6525 -2.7447 -2.7447 9.6951 9.6951 13.8781 13.8781 13.8843 13.8843 13.8923 13.8923 k = 0.1308-0.0755 0.1068 ( 1828 PWs) bands (ev): -49.8151 -49.8151 -21.8349 -21.8349 -21.6587 -21.6587 -21.6530 -21.6530 -2.7023 -2.7023 9.5933 9.5933 13.7544 13.7544 13.7573 13.7573 13.7637 13.7637 k = 0.1385-0.0799 0.1131 ( 1836 PWs) bands (ev): -49.8149 -49.8149 -21.8358 -21.8358 -21.6599 -21.6599 -21.6536 -21.6536 -2.6575 -2.6575 9.4884 9.4884 13.6187 13.6187 13.6390 13.6390 13.6456 13.6456 k = 0.1462-0.0844 0.1193 ( 1828 PWs) bands (ev): -49.8148 -49.8148 -21.8366 -21.8366 -21.6610 -21.6610 -21.6541 -21.6541 -2.6104 -2.6104 9.3808 9.3808 13.4854 13.4854 13.5233 13.5233 13.5301 13.5301 k = 0.1538-0.0888 0.1256 ( 1828 PWs) bands (ev): -49.8146 -49.8146 -21.8375 -21.8375 -21.6622 -21.6622 -21.6547 -21.6547 -2.5610 -2.5610 9.2709 9.2709 13.3545 13.3545 13.4102 13.4102 13.4171 13.4171 k = 0.1615-0.0933 0.1319 ( 1828 PWs) bands (ev): -49.8145 -49.8145 -21.8384 -21.8384 -21.6635 -21.6635 -21.6553 -21.6553 -2.5093 -2.5093 9.1588 9.1588 13.2262 13.2262 13.2996 13.2996 13.3067 13.3067 k = 0.1692-0.0977 0.1382 ( 1832 PWs) bands (ev): -49.8143 -49.8143 -21.8394 -21.8394 -21.6648 -21.6648 -21.6559 -21.6559 -2.4555 -2.4555 9.0448 9.0448 13.1004 13.1004 13.1917 13.1917 13.1989 13.1989 k = 0.1769-0.1021 0.1445 ( 1824 PWs) bands (ev): -49.8141 -49.8141 -21.8404 -21.8404 -21.6661 -21.6661 -21.6564 -21.6564 -2.3995 -2.3995 8.9293 8.9293 12.9772 12.9772 13.0863 13.0863 13.0937 13.0937 k = 0.1846-0.1066 0.1507 ( 1824 PWs) bands (ev): -49.8140 -49.8140 -21.8414 -21.8414 -21.6674 -21.6674 -21.6570 -21.6570 -2.3415 -2.3415 8.8123 8.8123 12.8568 12.8568 12.9835 12.9835 12.9911 12.9911 k = 0.1923-0.1110 0.1570 ( 1816 PWs) bands (ev): -49.8138 -49.8138 -21.8424 -21.8424 -21.6687 -21.6687 -21.6576 -21.6576 -2.2814 -2.2814 8.6942 8.6942 12.7390 12.7390 12.8834 12.8834 12.8911 12.8911 k = 0.2000-0.1155 0.1633 ( 1824 PWs) bands (ev): -49.8136 -49.8136 -21.8435 -21.8435 -21.6702 -21.6702 -21.6583 -21.6583 -2.2193 -2.2193 8.5751 8.5751 12.6239 12.6239 12.7858 12.7858 12.7936 12.7936 k = 0.2077-0.1199 0.1696 ( 1820 PWs) bands (ev): -49.8134 -49.8134 -21.8446 -21.8446 -21.6715 -21.6715 -21.6590 -21.6590 -2.1553 -2.1553 8.4553 8.4553 12.5117 12.5117 12.6908 12.6908 12.6988 12.6988 k = 0.2154-0.1244 0.1759 ( 1820 PWs) bands (ev): -49.8132 -49.8132 -21.8457 -21.8457 -21.6729 -21.6729 -21.6597 -21.6597 -2.0895 -2.0895 8.3348 8.3348 12.4022 12.4022 12.5984 12.5984 12.6065 12.6065 k = 0.2231-0.1288 0.1821 ( 1820 PWs) bands (ev): -49.8131 -49.8131 -21.8468 -21.8468 -21.6743 -21.6743 -21.6604 -21.6604 -2.0218 -2.0218 8.2139 8.2139 12.2955 12.2955 12.5085 12.5085 12.5168 12.5168 k = 0.2308-0.1332 0.1884 ( 1820 PWs) bands (ev): -49.8129 -49.8129 -21.8479 -21.8479 -21.6757 -21.6757 -21.6610 -21.6610 -1.9525 -1.9525 8.0927 8.0927 12.1916 12.1916 12.4212 12.4212 12.4296 12.4296 k = 0.2385-0.1377 0.1947 ( 1820 PWs) bands (ev): -49.8127 -49.8127 -21.8490 -21.8490 -21.6771 -21.6771 -21.6617 -21.6617 -1.8816 -1.8816 7.9714 7.9714 12.0906 12.0906 12.3365 12.3365 12.3451 12.3451 k = 0.2462-0.1421 0.2010 ( 1820 PWs) bands (ev): -49.8125 -49.8125 -21.8501 -21.8501 -21.6785 -21.6785 -21.6624 -21.6624 -1.8091 -1.8091 7.8501 7.8501 11.9924 11.9924 12.2544 12.2544 12.2631 12.2631 k = 0.2538-0.1466 0.2073 ( 1824 PWs) bands (ev): -49.8123 -49.8123 -21.8513 -21.8513 -21.6799 -21.6799 -21.6631 -21.6631 -1.7352 -1.7352 7.7290 7.7290 11.8971 11.8971 12.1748 12.1748 12.1836 12.1836 k = 0.2615-0.1510 0.2135 ( 1824 PWs) bands (ev): -49.8121 -49.8121 -21.8524 -21.8524 -21.6813 -21.6813 -21.6638 -21.6638 -1.6599 -1.6599 7.6081 7.6081 11.8047 11.8047 12.0977 12.0977 12.1067 12.1067 k = 0.2692-0.1554 0.2198 ( 1824 PWs) bands (ev): -49.8120 -49.8120 -21.8536 -21.8536 -21.6826 -21.6826 -21.6645 -21.6645 -1.5834 -1.5834 7.4877 7.4877 11.7151 11.7151 12.0232 12.0232 12.0323 12.0323 k = 0.2769-0.1599 0.2261 ( 1824 PWs) bands (ev): -49.8118 -49.8118 -21.8547 -21.8547 -21.6840 -21.6840 -21.6652 -21.6652 -1.5058 -1.5058 7.3679 7.3679 11.6284 11.6284 11.9512 11.9512 11.9604 11.9604 k = 0.2846-0.1643 0.2324 ( 1824 PWs) bands (ev): -49.8116 -49.8116 -21.8558 -21.8558 -21.6853 -21.6853 -21.6659 -21.6659 -1.4271 -1.4271 7.2487 7.2487 11.5446 11.5446 11.8818 11.8818 11.8911 11.8911 k = 0.2923-0.1688 0.2387 ( 1820 PWs) bands (ev): -49.8114 -49.8114 -21.8569 -21.8569 -21.6866 -21.6866 -21.6666 -21.6666 -1.3476 -1.3476 7.1303 7.1303 11.4637 11.4637 11.8149 11.8149 11.8242 11.8242 k = 0.3000-0.1732 0.2449 ( 1808 PWs) bands (ev): -49.8112 -49.8112 -21.8578 -21.8578 -21.6877 -21.6877 -21.6672 -21.6672 -1.2673 -1.2673 7.0129 7.0129 11.3858 11.3858 11.7504 11.7504 11.7599 11.7599 k = 0.3077-0.1776 0.2512 ( 1816 PWs) bands (ev): -49.8110 -49.8110 -21.8589 -21.8589 -21.6890 -21.6890 -21.6679 -21.6679 -1.1864 -1.1864 6.8966 6.8966 11.3107 11.3107 11.6885 11.6885 11.6981 11.6981 k = 0.3154-0.1821 0.2575 ( 1816 PWs) bands (ev): -49.8109 -49.8109 -21.8600 -21.8600 -21.6902 -21.6902 -21.6686 -21.6686 -1.1051 -1.1051 6.7816 6.7816 11.2386 11.2386 11.6291 11.6291 11.6388 11.6388 k = 0.3231-0.1865 0.2638 ( 1816 PWs) bands (ev): -49.8107 -49.8107 -21.8610 -21.8610 -21.6914 -21.6914 -21.6692 -21.6692 -1.0235 -1.0235 6.6679 6.6679 11.1693 11.1693 11.5721 11.5721 11.5819 11.5819 k = 0.3308-0.1910 0.2701 ( 1804 PWs) bands (ev): -49.8105 -49.8105 -21.8619 -21.8619 -21.6924 -21.6924 -21.6697 -21.6697 -0.9418 -0.9418 6.5558 6.5558 11.1030 11.1030 11.5177 11.5177 11.5276 11.5276 k = 0.3385-0.1954 0.2764 ( 1808 PWs) bands (ev): -49.8104 -49.8104 -21.8629 -21.8629 -21.6936 -21.6936 -21.6703 -21.6703 -0.8603 -0.8603 6.4455 6.4455 11.0397 11.0397 11.4657 11.4657 11.4757 11.4757 k = 0.3462-0.1999 0.2826 ( 1816 PWs) bands (ev): -49.8102 -49.8102 -21.8639 -21.8639 -21.6947 -21.6947 -21.6710 -21.6710 -0.7790 -0.7790 6.3371 6.3371 10.9792 10.9792 11.4162 11.4162 11.4262 11.4262 k = 0.3538-0.2043 0.2889 ( 1816 PWs) bands (ev): -49.8101 -49.8101 -21.8648 -21.8648 -21.6958 -21.6958 -21.6716 -21.6716 -0.6983 -0.6983 6.2308 6.2308 10.9217 10.9217 11.3691 11.3691 11.3793 11.3793 k = 0.3615-0.2087 0.2952 ( 1804 PWs) bands (ev): -49.8099 -49.8099 -21.8656 -21.8656 -21.6966 -21.6966 -21.6721 -21.6721 -0.6184 -0.6184 6.1269 6.1269 10.8671 10.8671 11.3245 11.3245 11.3347 11.3347 k = 0.3692-0.2132 0.3015 ( 1796 PWs) bands (ev): -49.8097 -49.8097 -21.8663 -21.8663 -21.6975 -21.6975 -21.6726 -21.6726 -0.5397 -0.5397 6.0255 6.0255 10.8155 10.8155 11.2823 11.2823 11.2926 11.2926 k = 0.3769-0.2176 0.3078 ( 1796 PWs) bands (ev): -49.8096 -49.8096 -21.8671 -21.8671 -21.6983 -21.6983 -21.6731 -21.6731 -0.4622 -0.4622 5.9271 5.9271 10.7668 10.7668 11.2426 11.2426 11.2530 11.2530 k = 0.3846-0.2221 0.3140 ( 1796 PWs) bands (ev): -49.8095 -49.8095 -21.8679 -21.8679 -21.6992 -21.6992 -21.6735 -21.6735 -0.3865 -0.3865 5.8318 5.8318 10.7211 10.7211 11.2053 11.2053 11.2158 11.2158 k = 0.3923-0.2265 0.3203 ( 1796 PWs) bands (ev): -49.8094 -49.8094 -21.8686 -21.8686 -21.7000 -21.7000 -21.6740 -21.6740 -0.3128 -0.3128 5.7399 5.7399 10.6783 10.6783 11.1705 11.1705 11.1810 11.1810 k = 0.4000-0.2309 0.3266 ( 1780 PWs) bands (ev): -49.8092 -49.8092 -21.8692 -21.8692 -21.7006 -21.7006 -21.6742 -21.6742 -0.2415 -0.2415 5.6519 5.6519 10.6384 10.6384 11.1381 11.1381 11.1487 11.1487 k = 0.4077-0.2354 0.3329 ( 1788 PWs) bands (ev): -49.8091 -49.8091 -21.8699 -21.8699 -21.7014 -21.7014 -21.6747 -21.6747 -0.1730 -0.1730 5.5679 5.5679 10.6015 10.6015 11.1081 11.1081 11.1187 11.1187 k = 0.4154-0.2398 0.3392 ( 1788 PWs) bands (ev): -49.8090 -49.8090 -21.8704 -21.8704 -21.7021 -21.7021 -21.6751 -21.6751 -0.1076 -0.1076 5.4885 5.4885 10.5675 10.5675 11.0805 11.0805 11.0912 11.0912 k = 0.4231-0.2443 0.3454 ( 1788 PWs) bands (ev): -49.8089 -49.8089 -21.8710 -21.8710 -21.7026 -21.7026 -21.6754 -21.6754 -0.0458 -0.0458 5.4140 5.4140 10.5365 10.5365 11.0553 11.0553 11.0661 11.0661 k = 0.4308-0.2487 0.3517 ( 1796 PWs) bands (ev): -49.8089 -49.8089 -21.8716 -21.8716 -21.7033 -21.7033 -21.6758 -21.6758 0.0119 0.0119 5.3448 5.3448 10.5085 10.5085 11.0326 11.0326 11.0433 11.0433 k = 0.4385-0.2531 0.3580 ( 1796 PWs) bands (ev): -49.8088 -49.8088 -21.8720 -21.8720 -21.7038 -21.7038 -21.6760 -21.6760 0.0651 0.0651 5.2814 5.2814 10.4833 10.4833 11.0122 11.0122 11.0230 11.0230 k = 0.4462-0.2576 0.3643 ( 1788 PWs) bands (ev): -49.8087 -49.8087 -21.8723 -21.8723 -21.7042 -21.7042 -21.6762 -21.6762 0.1135 0.1135 5.2241 5.2241 10.4612 10.4612 10.9943 10.9943 11.0051 11.0051 k = 0.4538-0.2620 0.3706 ( 1780 PWs) bands (ev): -49.8086 -49.8086 -21.8726 -21.8726 -21.7044 -21.7044 -21.6763 -21.6763 0.1564 0.1564 5.1735 5.1735 10.4420 10.4420 10.9787 10.9787 10.9896 10.9896 k = 0.4615-0.2665 0.3768 ( 1780 PWs) bands (ev): -49.8086 -49.8086 -21.8729 -21.8729 -21.7048 -21.7048 -21.6765 -21.6765 0.1936 0.1936 5.1298 5.1298 10.4257 10.4257 10.9656 10.9656 10.9764 10.9764 k = 0.4692-0.2709 0.3831 ( 1776 PWs) bands (ev): -49.8085 -49.8085 -21.8731 -21.8731 -21.7050 -21.7050 -21.6767 -21.6767 0.2246 0.2246 5.0935 5.0935 10.4124 10.4124 10.9548 10.9548 10.9657 10.9657 k = 0.4769-0.2754 0.3894 ( 1776 PWs) bands (ev): -49.8085 -49.8085 -21.8733 -21.8733 -21.7052 -21.7052 -21.6768 -21.6768 0.2491 0.2491 5.0649 5.0649 10.4021 10.4021 10.9464 10.9464 10.9573 10.9573 k = 0.4846-0.2798 0.3957 ( 1772 PWs) bands (ev): -49.8085 -49.8085 -21.8734 -21.8734 -21.7053 -21.7053 -21.6769 -21.6769 0.2668 0.2668 5.0442 5.0442 10.3947 10.3947 10.9404 10.9404 10.9514 10.9514 k = 0.4923-0.2842 0.4020 ( 1772 PWs) bands (ev): -49.8085 -49.8085 -21.8734 -21.8734 -21.7054 -21.7054 -21.6769 -21.6769 0.2775 0.2775 5.0318 5.0318 10.3903 10.3903 10.9369 10.9369 10.9478 10.9478 k = 0.5000-0.2887 0.4082 ( 1772 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7054 -21.7054 -21.6769 -21.6769 0.2811 0.2811 5.0276 5.0276 10.3888 10.3888 10.9357 10.9357 10.9466 10.9466 k = 0.5000-0.2887 0.4082 ( 1772 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7054 -21.7054 -21.6769 -21.6769 0.2811 0.2811 5.0276 5.0276 10.3888 10.3888 10.9357 10.9357 10.9466 10.9466 k = 0.5000-0.2799 0.4144 ( 1772 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7054 -21.7054 -21.6769 -21.6769 0.2815 0.2815 5.0288 5.0288 10.3397 10.3397 10.9203 10.9203 10.9935 10.9935 k = 0.5000-0.2712 0.4206 ( 1774 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7054 -21.7054 -21.6770 -21.6770 0.2826 0.2826 5.0326 5.0326 10.2254 10.2254 10.8642 10.8642 11.1159 11.1159 k = 0.5000-0.2624 0.4268 ( 1780 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7054 -21.7054 -21.6772 -21.6772 0.2844 0.2844 5.0389 5.0389 10.0856 10.0856 10.7825 10.7825 11.2698 11.2698 k = 0.5000-0.2537 0.4330 ( 1784 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7054 -21.7054 -21.6773 -21.6773 0.2869 0.2869 5.0477 5.0477 9.9366 9.9366 10.6853 10.6853 11.4385 11.4385 k = 0.5000-0.2449 0.4392 ( 1784 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7053 -21.7053 -21.6774 -21.6774 0.2901 0.2901 5.0589 5.0589 9.7847 9.7847 10.5793 10.5793 11.6158 11.6158 k = 0.5000-0.2362 0.4454 ( 1790 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7052 -21.7052 -21.6777 -21.6777 0.2939 0.2939 5.0727 5.0727 9.6324 9.6324 10.4689 10.4689 11.7991 11.7991 k = 0.5000-0.2274 0.4515 ( 1798 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7052 -21.7052 -21.6780 -21.6780 0.2984 0.2984 5.0891 5.0891 9.4811 9.4811 10.3568 10.3568 11.9871 11.9871 k = 0.5000-0.2187 0.4577 ( 1802 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7051 -21.7051 -21.6782 -21.6782 0.3035 0.3035 5.1079 5.1079 9.3314 9.3314 10.2445 10.2445 12.1792 12.1792 k = 0.5000-0.2099 0.4639 ( 1798 PWs) bands (ev): -49.8085 -49.8085 -21.8734 -21.8734 -21.7050 -21.7050 -21.6784 -21.6784 0.3091 0.3091 5.1292 5.1292 9.1836 9.1836 10.1334 10.1334 12.3749 12.3749 k = 0.5000-0.2012 0.4701 ( 1798 PWs) bands (ev): -49.8085 -49.8085 -21.8733 -21.8733 -21.7048 -21.7048 -21.6787 -21.6787 0.3152 0.3152 5.1531 5.1531 9.0380 9.0380 10.0241 10.0241 12.5741 12.5741 k = 0.5000-0.1925 0.4763 ( 1794 PWs) bands (ev): -49.8085 -49.8085 -21.8732 -21.8732 -21.7047 -21.7047 -21.6789 -21.6789 0.3218 0.3218 5.1795 5.1795 8.8948 8.8948 9.9172 9.9172 12.7765 12.7765 k = 0.5000-0.1837 0.4825 ( 1796 PWs) bands (ev): -49.8085 -49.8085 -21.8731 -21.8731 -21.7045 -21.7045 -21.6793 -21.6793 0.3288 0.3288 5.2084 5.2084 8.7541 8.7541 9.8132 9.8132 12.9821 12.9821 k = 0.5000-0.1750 0.4887 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8731 -21.8731 -21.7043 -21.7043 -21.6797 -21.6797 0.3361 0.3361 5.2398 5.2398 8.6158 8.6158 9.7125 9.7125 13.1908 13.1908 k = 0.5000-0.1662 0.4948 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8730 -21.8730 -21.7042 -21.7042 -21.6800 -21.6800 0.3437 0.3437 5.2738 5.2738 8.4802 8.4802 9.6152 9.6152 13.4026 13.4026 k = 0.5000-0.1575 0.5010 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8729 -21.8729 -21.7039 -21.7039 -21.6804 -21.6804 0.3515 0.3515 5.3102 5.3102 8.3471 8.3471 9.5218 9.5218 13.6173 13.6173 k = 0.5000-0.1487 0.5072 ( 1798 PWs) bands (ev): -49.8085 -49.8085 -21.8728 -21.8728 -21.7037 -21.7037 -21.6807 -21.6807 0.3594 0.3594 5.3493 5.3493 8.2166 8.2166 9.4322 9.4322 13.8350 13.8350 k = 0.5000-0.1400 0.5134 ( 1798 PWs) bands (ev): -49.8085 -49.8085 -21.8727 -21.8727 -21.7035 -21.7035 -21.6811 -21.6811 0.3674 0.3674 5.3908 5.3908 8.0888 8.0888 9.3469 9.3469 14.0557 14.0557 k = 0.5000-0.1312 0.5196 ( 1802 PWs) bands (ev): -49.8085 -49.8085 -21.8727 -21.8727 -21.7033 -21.7033 -21.6816 -21.6816 0.3754 0.3754 5.4349 5.4349 7.9636 7.9636 9.2658 9.2658 14.2794 14.2794 k = 0.5000-0.1225 0.5258 ( 1798 PWs) bands (ev): -49.8085 -49.8085 -21.8726 -21.8726 -21.7030 -21.7030 -21.6819 -21.6819 0.3834 0.3834 5.4816 5.4816 7.8411 7.8411 9.1893 9.1893 14.5059 14.5059 k = 0.5000-0.1137 0.5320 ( 1810 PWs) bands (ev): -49.8085 -49.8085 -21.8726 -21.8726 -21.7029 -21.7029 -21.6824 -21.6824 0.3912 0.3912 5.5308 5.5308 7.7212 7.7212 9.1174 9.1174 14.7354 14.7354 k = 0.5000-0.1050 0.5381 ( 1810 PWs) bands (ev): -49.8085 -49.8085 -21.8725 -21.8725 -21.7026 -21.7026 -21.6828 -21.6828 0.3988 0.3988 5.5825 5.5825 7.6040 7.6040 9.0502 9.0502 14.9677 14.9677 k = 0.5000-0.0962 0.5443 ( 1810 PWs) bands (ev): -49.8085 -49.8085 -21.8724 -21.8724 -21.7024 -21.7024 -21.6832 -21.6832 0.4060 0.4060 5.6369 5.6369 7.4895 7.4895 8.9879 8.9879 15.2002 15.2002 k = 0.5000-0.0875 0.5505 ( 1810 PWs) bands (ev): -49.8085 -49.8085 -21.8724 -21.8724 -21.7021 -21.7021 -21.6836 -21.6836 0.4130 0.4130 5.6937 5.6937 7.3776 7.3776 8.9307 8.9307 15.3731 15.3731 k = 0.5000-0.0787 0.5567 ( 1806 PWs) bands (ev): -49.8085 -49.8085 -21.8723 -21.8723 -21.7019 -21.7019 -21.6839 -21.6839 0.4195 0.4195 5.7532 5.7532 7.2684 7.2684 8.8785 8.8785 15.5388 15.5388 k = 0.5000-0.0700 0.5629 ( 1808 PWs) bands (ev): -49.8085 -49.8085 -21.8722 -21.8722 -21.7017 -21.7017 -21.6843 -21.6843 0.4255 0.4255 5.8152 5.8152 7.1618 7.1618 8.8316 8.8316 15.6993 15.6993 k = 0.5000-0.0612 0.5691 ( 1808 PWs) bands (ev): -49.8085 -49.8085 -21.8722 -21.8722 -21.7014 -21.7014 -21.6846 -21.6846 0.4309 0.4309 5.8798 5.8798 7.0579 7.0579 8.7899 8.7899 15.8526 15.8526 k = 0.5000-0.0525 0.5753 ( 1804 PWs) bands (ev): -49.8085 -49.8085 -21.8721 -21.8721 -21.7012 -21.7012 -21.6849 -21.6849 0.4358 0.4358 5.9470 5.9470 6.9567 6.9567 8.7537 8.7537 15.9967 15.9967 k = 0.5000-0.0437 0.5814 ( 1808 PWs) bands (ev): -49.8085 -49.8085 -21.8721 -21.8721 -21.7011 -21.7011 -21.6852 -21.6852 0.4400 0.4400 6.0168 6.0168 6.8581 6.8581 8.7229 8.7229 16.1287 16.1287 k = 0.5000-0.0350 0.5876 ( 1804 PWs) bands (ev): -49.8085 -49.8085 -21.8720 -21.8720 -21.7009 -21.7009 -21.6854 -21.6854 0.4434 0.4434 6.0891 6.0891 6.7622 6.7622 8.6976 8.6976 16.2452 16.2452 k = 0.5000-0.0262 0.5938 ( 1804 PWs) bands (ev): -49.8085 -49.8085 -21.8720 -21.8720 -21.7007 -21.7007 -21.6856 -21.6856 0.4462 0.4462 6.1641 6.1641 6.6689 6.6689 8.6779 8.6779 16.3423 16.3423 k = 0.5000-0.0175 0.6000 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7006 -21.7006 -21.6856 -21.6856 0.4482 0.4482 6.2417 6.2417 6.5782 6.5782 8.6638 8.6638 16.4159 16.4159 k = 0.5000-0.0087 0.6062 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7006 -21.7006 -21.6857 -21.6857 0.4494 0.4494 6.3218 6.3218 6.4902 6.4902 8.6553 8.6553 16.4619 16.4619 k = 0.5000-0.0000 0.6124 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7006 -21.7006 -21.6857 -21.6857 0.4498 0.4498 6.4005 6.4005 6.4089 6.4089 8.6524 8.6524 16.4776 16.4776 k = 0.5000-0.0000 0.6124 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7006 -21.7006 -21.6857 -21.6857 0.4498 0.4498 6.4005 6.4005 6.4089 6.4089 8.6524 8.6524 16.4776 16.4776 k = 0.4946 0.0094 0.6124 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7006 -21.7006 -21.6857 -21.6857 0.4490 0.4490 6.3455 6.3455 6.4635 6.4635 8.6586 8.6586 16.4648 16.4648 k = 0.4891 0.0188 0.6124 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7006 -21.7006 -21.6856 -21.6856 0.4466 0.4466 6.2892 6.2892 6.5179 6.5179 8.6778 8.6778 16.4214 16.4214 k = 0.4837 0.0282 0.6124 ( 1806 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7008 -21.7008 -21.6855 -21.6855 0.4430 0.4430 6.2356 6.2356 6.5672 6.5672 8.7108 8.7108 16.3401 16.3401 k = 0.4783 0.0377 0.6124 ( 1806 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7009 -21.7009 -21.6853 -21.6853 0.4383 0.4383 6.1845 6.1845 6.6104 6.6104 8.7583 8.7583 16.2164 16.2164 k = 0.4728 0.0471 0.6124 ( 1804 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7010 -21.7010 -21.6850 -21.6850 0.4328 0.4328 6.1361 6.1361 6.6471 6.6471 8.8206 8.8206 16.0527 16.0527 k = 0.4674 0.0565 0.6124 ( 1810 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7012 -21.7012 -21.6847 -21.6847 0.4265 0.4265 6.0903 6.0903 6.6771 6.6771 8.8977 8.8977 15.8575 15.8575 k = 0.4620 0.0659 0.6124 ( 1810 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7014 -21.7014 -21.6844 -21.6844 0.4197 0.4197 6.0472 6.0472 6.7006 6.7006 8.9891 8.9891 15.6404 15.6404 k = 0.4565 0.0753 0.6124 ( 1810 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7016 -21.7016 -21.6840 -21.6840 0.4125 0.4125 6.0067 6.0067 6.7181 6.7181 9.0942 9.0942 15.4091 15.4091 k = 0.4511 0.0847 0.6124 ( 1810 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7018 -21.7018 -21.6837 -21.6837 0.4051 0.4051 5.9688 5.9688 6.7303 6.7303 9.2121 9.2121 15.1691 15.1691 k = 0.4457 0.0941 0.6124 ( 1811 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7020 -21.7020 -21.6833 -21.6833 0.3977 0.3977 5.9336 5.9336 6.7380 6.7380 9.3418 9.3418 14.9240 14.9240 k = 0.4402 0.1035 0.6124 ( 1809 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7022 -21.7022 -21.6828 -21.6828 0.3903 0.3903 5.9009 5.9009 6.7419 6.7419 9.4824 9.4824 14.6763 14.6763 k = 0.4348 0.1130 0.6124 ( 1809 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7024 -21.7024 -21.6825 -21.6825 0.3830 0.3830 5.8709 5.8709 6.7429 6.7429 9.6328 9.6328 14.4275 14.4275 k = 0.4293 0.1224 0.6124 ( 1811 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7026 -21.7026 -21.6821 -21.6821 0.3761 0.3761 5.8435 5.8435 6.7417 6.7417 9.7922 9.7922 14.1788 14.1788 k = 0.4239 0.1318 0.6124 ( 1809 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7028 -21.7028 -21.6817 -21.6817 0.3695 0.3695 5.8187 5.8187 6.7390 6.7390 9.9597 9.9597 13.9312 13.9312 k = 0.4185 0.1412 0.6124 ( 1801 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7029 -21.7029 -21.6813 -21.6813 0.3635 0.3635 5.7966 5.7966 6.7352 6.7352 10.1345 10.1345 13.6853 13.6853 k = 0.4130 0.1506 0.6124 ( 1803 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7031 -21.7031 -21.6810 -21.6810 0.3579 0.3579 5.7770 5.7770 6.7309 6.7309 10.3158 10.3158 13.4417 13.4417 k = 0.4076 0.1600 0.6124 ( 1803 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7032 -21.7032 -21.6807 -21.6807 0.3530 0.3530 5.7601 5.7601 6.7264 6.7264 10.5027 10.5027 13.2012 13.2012 k = 0.4022 0.1694 0.6124 ( 1803 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7034 -21.7034 -21.6805 -21.6805 0.3487 0.3487 5.7457 5.7457 6.7221 6.7221 10.6945 10.6945 12.9644 12.9644 k = 0.3967 0.1789 0.6124 ( 1809 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7035 -21.7035 -21.6803 -21.6803 0.3451 0.3451 5.7340 5.7340 6.7183 6.7183 10.8897 10.8897 12.7325 12.7325 k = 0.3913 0.1883 0.6124 ( 1812 PWs) bands (ev): -49.8087 -49.8087 -21.8720 -21.8720 -21.7036 -21.7036 -21.6802 -21.6802 0.3423 0.3423 5.7249 5.7249 6.7151 6.7151 11.0860 11.0860 12.5078 12.5078 k = 0.3859 0.1977 0.6124 ( 1810 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7037 -21.7037 -21.6801 -21.6801 0.3403 0.3403 5.7184 5.7184 6.7127 6.7127 11.2782 11.2782 12.2954 12.2954 k = 0.3804 0.2071 0.6124 ( 1812 PWs) bands (ev): -49.8087 -49.8087 -21.8720 -21.8720 -21.7037 -21.7037 -21.6800 -21.6800 0.3391 0.3391 5.7145 5.7145 6.7112 6.7112 11.4487 11.4487 12.1128 12.1128 k = 0.3750 0.2165 0.6124 ( 1822 PWs) bands (ev): -49.8087 -49.8087 -21.8720 -21.8720 -21.7038 -21.7038 -21.6801 -21.6801 0.3387 0.3387 5.7132 5.7132 6.7107 6.7107 11.5323 11.5323 12.0251 12.0251 k = 0.3750 0.2165 0.6124 ( 1822 PWs) bands (ev): -49.8087 -49.8087 -21.8720 -21.8720 -21.7038 -21.7038 -21.6801 -21.6801 0.3387 0.3387 5.7132 5.7132 6.7107 6.7107 11.5323 11.5323 12.0251 12.0251 k = 0.3696 0.2134 0.6035 ( 1814 PWs) bands (ev): -49.8087 -49.8087 -21.8718 -21.8718 -21.7036 -21.7036 -21.6799 -21.6799 0.3298 0.3298 5.7744 5.7744 6.5981 6.5981 11.5849 11.5849 12.0883 12.0883 k = 0.3641 0.2102 0.5946 ( 1806 PWs) bands (ev): -49.8088 -49.8088 -21.8716 -21.8716 -21.7035 -21.7035 -21.6796 -21.6796 0.3182 0.3182 5.8382 5.8382 6.4930 6.4930 11.6397 11.6397 12.1534 12.1534 k = 0.3587 0.2071 0.5857 ( 1804 PWs) bands (ev): -49.8088 -49.8088 -21.8714 -21.8714 -21.7035 -21.7035 -21.6793 -21.6793 0.3036 0.3036 5.9047 5.9047 6.3957 6.3957 11.6968 11.6968 12.2203 12.2203 k = 0.3533 0.2040 0.5769 ( 1806 PWs) bands (ev): -49.8088 -49.8088 -21.8712 -21.8712 -21.7034 -21.7034 -21.6790 -21.6790 0.2859 0.2859 5.9738 5.9738 6.3066 6.3066 11.7561 11.7561 12.2890 12.2890 k = 0.3478 0.2008 0.5680 ( 1806 PWs) bands (ev): -49.8089 -49.8089 -21.8710 -21.8710 -21.7033 -21.7033 -21.6786 -21.6786 0.2647 0.2647 6.0456 6.0456 6.2257 6.2257 11.8176 11.8176 12.3592 12.3592 k = 0.3424 0.1977 0.5591 ( 1802 PWs) bands (ev): -49.8089 -49.8089 -21.8708 -21.8708 -21.7032 -21.7032 -21.6782 -21.6782 0.2400 0.2400 6.1200 6.1200 6.1534 6.1534 11.8814 11.8814 12.4310 12.4310 k = 0.3370 0.1945 0.5502 ( 1798 PWs) bands (ev): -49.8089 -49.8089 -21.8705 -21.8705 -21.7030 -21.7030 -21.6777 -21.6777 0.2116 0.2116 6.0895 6.0895 6.1973 6.1973 11.9474 11.9474 12.5041 12.5041 k = 0.3315 0.1914 0.5414 ( 1798 PWs) bands (ev): -49.8090 -49.8090 -21.8703 -21.8703 -21.7029 -21.7029 -21.6772 -21.6772 0.1794 0.1794 6.0345 6.0345 6.2771 6.2771 12.0156 12.0156 12.5784 12.5784 k = 0.3261 0.1883 0.5325 ( 1798 PWs) bands (ev): -49.8091 -49.8091 -21.8700 -21.8700 -21.7027 -21.7027 -21.6767 -21.6767 0.1433 0.1433 5.9883 5.9883 6.3596 6.3596 12.0861 12.0861 12.6538 12.6538 k = 0.3207 0.1851 0.5236 ( 1798 PWs) bands (ev): -49.8091 -49.8091 -21.8697 -21.8697 -21.7025 -21.7025 -21.6762 -21.6762 0.1033 0.1033 5.9509 5.9509 6.4448 6.4448 12.1587 12.1587 12.7301 12.7301 k = 0.3152 0.1820 0.5147 ( 1792 PWs) bands (ev): -49.8092 -49.8092 -21.8694 -21.8694 -21.7022 -21.7022 -21.6756 -21.6756 0.0595 0.0595 5.9223 5.9223 6.5327 6.5327 12.2335 12.2335 12.8071 12.8071 k = 0.3098 0.1789 0.5059 ( 1806 PWs) bands (ev): -49.8093 -49.8093 -21.8692 -21.8692 -21.7020 -21.7020 -21.6751 -21.6751 0.0118 0.0118 5.9025 5.9025 6.6233 6.6233 12.3105 12.3105 12.8847 12.8847 k = 0.3043 0.1757 0.4970 ( 1806 PWs) bands (ev): -49.8094 -49.8094 -21.8688 -21.8688 -21.7017 -21.7017 -21.6745 -21.6745 -0.0396 -0.0396 5.8913 5.8913 6.7166 6.7166 12.3897 12.3897 12.9625 12.9625 k = 0.2989 0.1726 0.4881 ( 1806 PWs) bands (ev): -49.8095 -49.8095 -21.8684 -21.8684 -21.7014 -21.7014 -21.6739 -21.6739 -0.0945 -0.0945 5.8887 5.8887 6.8126 6.8126 12.4711 12.4711 13.0405 13.0405 k = 0.2935 0.1694 0.4792 ( 1806 PWs) bands (ev): -49.8095 -49.8095 -21.8680 -21.8680 -21.7010 -21.7010 -21.6732 -21.6732 -0.1529 -0.1529 5.8943 5.8943 6.9114 6.9114 12.5546 12.5546 13.1183 13.1183 k = 0.2880 0.1663 0.4704 ( 1814 PWs) bands (ev): -49.8097 -49.8097 -21.8676 -21.8676 -21.7006 -21.7006 -21.6726 -21.6726 -0.2144 -0.2144 5.9081 5.9081 7.0129 7.0129 12.6402 12.6402 13.1958 13.1958 k = 0.2826 0.1632 0.4615 ( 1814 PWs) bands (ev): -49.8098 -49.8098 -21.8671 -21.8671 -21.7001 -21.7001 -21.6719 -21.6719 -0.2789 -0.2789 5.9297 5.9297 7.1171 7.1171 12.7279 12.7279 13.2726 13.2726 k = 0.2772 0.1600 0.4526 ( 1812 PWs) bands (ev): -49.8099 -49.8099 -21.8666 -21.8666 -21.6995 -21.6995 -21.6712 -21.6712 -0.3461 -0.3461 5.9589 5.9589 7.2240 7.2240 12.8177 12.8177 13.3484 13.3484 k = 0.2717 0.1569 0.4437 ( 1812 PWs) bands (ev): -49.8100 -49.8100 -21.8660 -21.8660 -21.6989 -21.6989 -21.6705 -21.6705 -0.4157 -0.4157 5.9955 5.9955 7.3337 7.3337 12.9096 12.9096 13.4230 13.4230 k = 0.2663 0.1538 0.4349 ( 1810 PWs) bands (ev): -49.8101 -49.8101 -21.8654 -21.8654 -21.6983 -21.6983 -21.6698 -21.6698 -0.4876 -0.4876 6.0391 6.0391 7.4462 7.4462 13.0034 13.0034 13.4961 13.4961 k = 0.2609 0.1506 0.4260 ( 1814 PWs) bands (ev): -49.8102 -49.8102 -21.8648 -21.8648 -21.6976 -21.6976 -21.6691 -21.6691 -0.5614 -0.5614 6.0895 6.0895 7.5614 7.5614 13.0993 13.0993 13.5673 13.5673 k = 0.2554 0.1475 0.4171 ( 1814 PWs) bands (ev): -49.8103 -49.8103 -21.8642 -21.8642 -21.6969 -21.6969 -21.6684 -21.6684 -0.6368 -0.6368 6.1463 6.1463 7.6794 7.6794 13.1971 13.1971 13.6363 13.6363 k = 0.2500 0.1443 0.4082 ( 1812 PWs) bands (ev): -49.8105 -49.8105 -21.8634 -21.8634 -21.6960 -21.6960 -21.6677 -21.6677 -0.7136 -0.7136 6.2092 6.2092 7.8001 7.8001 13.2967 13.2967 13.7027 13.7027 k = 0.2446 0.1412 0.3994 ( 1813 PWs) bands (ev): -49.8106 -49.8106 -21.8627 -21.8627 -21.6952 -21.6952 -21.6669 -21.6669 -0.7916 -0.7916 6.2781 6.2781 7.9236 7.9236 13.3982 13.3982 13.7664 13.7664 k = 0.2391 0.1381 0.3905 ( 1821 PWs) bands (ev): -49.8107 -49.8107 -21.8620 -21.8620 -21.6944 -21.6944 -21.6663 -21.6663 -0.8704 -0.8704 6.3525 6.3525 8.0499 8.0499 13.5015 13.5015 13.8268 13.8268 k = 0.2337 0.1349 0.3816 ( 1821 PWs) bands (ev): -49.8109 -49.8109 -21.8612 -21.8612 -21.6935 -21.6935 -21.6656 -21.6656 -0.9498 -0.9498 6.4322 6.4322 8.1790 8.1790 13.6065 13.6065 13.8839 13.8839 k = 0.2283 0.1318 0.3727 ( 1825 PWs) bands (ev): -49.8110 -49.8110 -21.8604 -21.8604 -21.6925 -21.6925 -21.6649 -21.6649 -1.0297 -1.0297 6.5170 6.5170 8.3108 8.3108 13.7131 13.7131 13.9372 13.9372 k = 0.2228 0.1286 0.3639 ( 1825 PWs) bands (ev): -49.8112 -49.8112 -21.8595 -21.8595 -21.6915 -21.6915 -21.6642 -21.6642 -1.1097 -1.1097 6.6065 6.6065 8.4455 8.4455 13.8213 13.8213 13.9867 13.9867 k = 0.2174 0.1255 0.3550 ( 1825 PWs) bands (ev): -49.8113 -49.8113 -21.8586 -21.8586 -21.6905 -21.6905 -21.6635 -21.6635 -1.1898 -1.1898 6.7004 6.7004 8.5829 8.5829 13.9308 13.9308 14.0321 14.0321 k = 0.2120 0.1224 0.3461 ( 1829 PWs) bands (ev): -49.8115 -49.8115 -21.8577 -21.8577 -21.6894 -21.6894 -21.6629 -21.6629 -1.2696 -1.2696 6.7987 6.7987 8.7232 8.7232 14.0416 14.0416 14.0734 14.0734 k = 0.2065 0.1192 0.3372 ( 1835 PWs) bands (ev): -49.8117 -49.8117 -21.8567 -21.8567 -21.6883 -21.6883 -21.6622 -21.6622 -1.3490 -1.3490 6.9009 6.9009 8.8663 8.8663 14.1101 14.1101 14.1541 14.1541 k = 0.2011 0.1161 0.3284 ( 1845 PWs) bands (ev): -49.8119 -49.8119 -21.8558 -21.8558 -21.6872 -21.6872 -21.6617 -21.6617 -1.4278 -1.4278 7.0068 7.0068 9.0121 9.0121 14.1430 14.1430 14.2671 14.2671 k = 0.1957 0.1130 0.3195 ( 1833 PWs) bands (ev): -49.8120 -49.8120 -21.8547 -21.8547 -21.6859 -21.6859 -21.6609 -21.6609 -1.5059 -1.5059 7.1163 7.1163 9.1608 9.1608 14.1718 14.1718 14.3810 14.3810 k = 0.1902 0.1098 0.3106 ( 1833 PWs) bands (ev): -49.8122 -49.8122 -21.8536 -21.8536 -21.6847 -21.6847 -21.6603 -21.6603 -1.5832 -1.5832 7.2290 7.2290 9.3123 9.3123 14.1966 14.1966 14.4957 14.4957 k = 0.1848 0.1067 0.3017 ( 1835 PWs) bands (ev): -49.8124 -49.8124 -21.8526 -21.8526 -21.6834 -21.6834 -21.6596 -21.6596 -1.6594 -1.6594 7.3447 7.3447 9.4666 9.4666 14.2179 14.2179 14.6108 14.6108 k = 0.1793 0.1035 0.2929 ( 1831 PWs) bands (ev): -49.8125 -49.8125 -21.8515 -21.8515 -21.6821 -21.6821 -21.6590 -21.6590 -1.7345 -1.7345 7.4631 7.4631 9.6237 9.6237 14.2358 14.2358 14.7261 14.7261 k = 0.1739 0.1004 0.2840 ( 1831 PWs) bands (ev): -49.8127 -49.8127 -21.8504 -21.8504 -21.6807 -21.6807 -21.6584 -21.6584 -1.8083 -1.8083 7.5841 7.5841 9.7836 9.7836 14.2508 14.2508 14.8413 14.8413 k = 0.1685 0.0973 0.2751 ( 1825 PWs) bands (ev): -49.8128 -49.8128 -21.8492 -21.8492 -21.6793 -21.6793 -21.6578 -21.6578 -1.8807 -1.8807 7.7073 7.7073 9.9464 9.9464 14.2632 14.2632 14.9561 14.9561 k = 0.1630 0.0941 0.2662 ( 1825 PWs) bands (ev): -49.8130 -49.8130 -21.8481 -21.8481 -21.6779 -21.6779 -21.6572 -21.6572 -1.9516 -1.9516 7.8326 7.8326 10.1119 10.1119 14.2735 14.2735 15.0702 15.0702 k = 0.1576 0.0910 0.2574 ( 1829 PWs) bands (ev): -49.8132 -49.8132 -21.8470 -21.8470 -21.6766 -21.6766 -21.6567 -21.6567 -2.0210 -2.0210 7.9595 7.9595 10.2803 10.2803 14.2823 14.2823 15.1831 15.1831 k = 0.1522 0.0879 0.2485 ( 1829 PWs) bands (ev): -49.8134 -49.8134 -21.8459 -21.8459 -21.6752 -21.6752 -21.6561 -21.6561 -2.0886 -2.0886 8.0879 8.0879 10.4515 10.4515 14.2900 14.2900 15.2944 15.2944 k = 0.1467 0.0847 0.2396 ( 1829 PWs) bands (ev): -49.8135 -49.8135 -21.8448 -21.8448 -21.6738 -21.6738 -21.6556 -21.6556 -2.1546 -2.1546 8.2174 8.2174 10.6255 10.6255 14.2972 14.2972 15.4036 15.4036 k = 0.1413 0.0816 0.2307 ( 1833 PWs) bands (ev): -49.8137 -49.8137 -21.8438 -21.8438 -21.6724 -21.6724 -21.6551 -21.6551 -2.2187 -2.2187 8.3478 8.3478 10.8023 10.8023 14.3043 14.3043 15.5103 15.5103 k = 0.1359 0.0784 0.2219 ( 1825 PWs) bands (ev): -49.8139 -49.8139 -21.8426 -21.8426 -21.6709 -21.6709 -21.6546 -21.6546 -2.2808 -2.2808 8.4787 8.4787 10.9818 10.9818 14.3120 14.3120 15.6138 15.6138 k = 0.1304 0.0753 0.2130 ( 1833 PWs) bands (ev): -49.8140 -49.8140 -21.8416 -21.8416 -21.6696 -21.6696 -21.6542 -21.6542 -2.3410 -2.3410 8.6096 8.6096 11.1642 11.1642 14.3209 14.3209 15.7136 15.7136 k = 0.1250 0.0722 0.2041 ( 1839 PWs) bands (ev): -49.8142 -49.8142 -21.8407 -21.8407 -21.6682 -21.6682 -21.6537 -21.6537 -2.3992 -2.3992 8.7404 8.7404 11.3493 11.3493 14.3314 14.3314 15.8091 15.8091 k = 0.1196 0.0690 0.1952 ( 1835 PWs) bands (ev): -49.8144 -49.8144 -21.8396 -21.8396 -21.6668 -21.6668 -21.6533 -21.6533 -2.4553 -2.4553 8.8704 8.8704 11.5372 11.5372 14.3442 14.3442 15.8998 15.8998 k = 0.1141 0.0659 0.1864 ( 1827 PWs) bands (ev): -49.8145 -49.8145 -21.8385 -21.8385 -21.6654 -21.6654 -21.6528 -21.6528 -2.5092 -2.5092 8.9995 8.9995 11.7278 11.7278 14.3598 14.3598 15.9851 15.9851 k = 0.1087 0.0628 0.1775 ( 1831 PWs) bands (ev): -49.8147 -49.8147 -21.8376 -21.8376 -21.6641 -21.6641 -21.6524 -21.6524 -2.5609 -2.5609 9.1269 9.1269 11.9212 11.9212 14.3787 14.3787 16.0648 16.0648 k = 0.1033 0.0596 0.1686 ( 1831 PWs) bands (ev): -49.8148 -49.8148 -21.8367 -21.8367 -21.6627 -21.6627 -21.6520 -21.6520 -2.6104 -2.6104 9.2524 9.2524 12.1172 12.1172 14.4017 14.4017 16.1383 16.1383 k = 0.0978 0.0565 0.1597 ( 1831 PWs) bands (ev): -49.8150 -49.8150 -21.8358 -21.8358 -21.6614 -21.6614 -21.6517 -21.6517 -2.6575 -2.6575 9.3753 9.3753 12.3158 12.3158 14.4291 14.4291 16.2056 16.2056 k = 0.0924 0.0533 0.1509 ( 1833 PWs) bands (ev): -49.8151 -49.8151 -21.8350 -21.8350 -21.6602 -21.6602 -21.6513 -21.6513 -2.7024 -2.7024 9.4953 9.4953 12.5171 12.5171 14.4617 14.4617 16.2665 16.2666 k = 0.0870 0.0502 0.1420 ( 1837 PWs) bands (ev): -49.8152 -49.8152 -21.8342 -21.8342 -21.6590 -21.6590 -21.6510 -21.6510 -2.7448 -2.7448 9.6116 9.6116 12.7209 12.7209 14.4998 14.4998 16.2364 16.2364 k = 0.0815 0.0471 0.1331 ( 1841 PWs) bands (ev): -49.8154 -49.8154 -21.8334 -21.8334 -21.6579 -21.6579 -21.6507 -21.6507 -2.7849 -2.7849 9.7238 9.7238 12.9272 12.9272 14.5441 14.5441 16.1907 16.1907 k = 0.0761 0.0439 0.1242 ( 1837 PWs) bands (ev): -49.8155 -49.8155 -21.8327 -21.8327 -21.6568 -21.6568 -21.6504 -21.6504 -2.8225 -2.8225 9.8313 9.8313 13.1359 13.1359 14.5951 14.5951 16.1479 16.1479 k = 0.0707 0.0408 0.1154 ( 1837 PWs) bands (ev): -49.8156 -49.8156 -21.8320 -21.8320 -21.6557 -21.6557 -21.6501 -21.6501 -2.8576 -2.8576 9.9336 9.9336 13.3469 13.3469 14.6531 14.6531 16.1081 16.1081 k = 0.0652 0.0377 0.1065 ( 1835 PWs) bands (ev): -49.8157 -49.8157 -21.8313 -21.8313 -21.6547 -21.6547 -21.6498 -21.6498 -2.8903 -2.8903 10.0302 10.0302 13.5600 13.5600 14.7185 14.7185 16.0712 16.0712 k = 0.0598 0.0345 0.0976 ( 1835 PWs) bands (ev): -49.8158 -49.8158 -21.8307 -21.8307 -21.6537 -21.6537 -21.6496 -21.6496 -2.9204 -2.9204 10.1205 10.1205 13.7750 13.7750 14.7916 14.7916 16.0372 16.0372 k = 0.0543 0.0314 0.0887 ( 1831 PWs) bands (ev): -49.8159 -49.8159 -21.8301 -21.8301 -21.6528 -21.6528 -21.6494 -21.6494 -2.9480 -2.9480 10.2042 10.2042 13.9918 13.9918 14.8727 14.8727 16.0063 16.0063 k = 0.0489 0.0282 0.0799 ( 1831 PWs) bands (ev): -49.8160 -49.8160 -21.8296 -21.8296 -21.6520 -21.6520 -21.6492 -21.6492 -2.9730 -2.9730 10.2808 10.2808 14.2099 14.2099 14.9617 14.9617 15.9782 15.9782 k = 0.0435 0.0251 0.0710 ( 1829 PWs) bands (ev): -49.8160 -49.8160 -21.8291 -21.8291 -21.6513 -21.6513 -21.6490 -21.6490 -2.9954 -2.9954 10.3501 10.3501 14.4289 14.4289 15.0585 15.0585 15.9531 15.9532 k = 0.0380 0.0220 0.0621 ( 1825 PWs) bands (ev): -49.8161 -49.8161 -21.8287 -21.8287 -21.6505 -21.6505 -21.6488 -21.6488 -3.0152 -3.0152 10.4116 10.4116 14.6480 14.6480 15.1628 15.1628 15.9310 15.9310 k = 0.0326 0.0188 0.0532 ( 1825 PWs) bands (ev): -49.8161 -49.8161 -21.8284 -21.8284 -21.6500 -21.6500 -21.6487 -21.6487 -3.0324 -3.0324 10.4653 10.4653 14.8662 14.8662 15.2739 15.2739 15.9118 15.9118 k = 0.0272 0.0157 0.0444 ( 1825 PWs) bands (ev): -49.8162 -49.8162 -21.8281 -21.8281 -21.6495 -21.6495 -21.6486 -21.6486 -3.0470 -3.0470 10.5108 10.5108 15.0817 15.0817 15.3905 15.3905 15.8956 15.8956 k = 0.0217 0.0126 0.0355 ( 1825 PWs) bands (ev): -49.8162 -49.8162 -21.8278 -21.8278 -21.6491 -21.6491 -21.6485 -21.6485 -3.0589 -3.0589 10.5483 10.5483 15.2918 15.2918 15.5105 15.5105 15.8823 15.8823 k = 0.0163 0.0094 0.0266 ( 1829 PWs) bands (ev): -49.8163 -49.8163 -21.8277 -21.8277 -21.6488 -21.6488 -21.6485 -21.6485 -3.0682 -3.0682 10.5774 10.5774 15.4912 15.4912 15.6297 15.6297 15.8720 15.8720 k = 0.0109 0.0063 0.0177 ( 1829 PWs) bands (ev): -49.8163 -49.8163 -21.8275 -21.8275 -21.6485 -21.6485 -21.6485 -21.6485 -3.0749 -3.0749 10.5982 10.5982 15.6695 15.6695 15.7399 15.7399 15.8646 15.8646 k = 0.0054 0.0031 0.0089 ( 1835 PWs) bands (ev): -49.8163 -49.8163 -21.8275 -21.8275 -21.6485 -21.6485 -21.6485 -21.6485 -3.0789 -3.0789 10.6108 10.6108 15.8049 15.8049 15.8250 15.8250 15.8602 15.8602 k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev): -49.8163 -49.8163 -21.8275 -21.8275 -21.6485 -21.6485 -21.6485 -21.6485 -3.0802 -3.0802 10.6149 10.6149 15.8587 15.8587 15.8587 15.8587 15.8587 15.8587 k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev): -49.8163 -49.8163 -21.8275 -21.8275 -21.6485 -21.6485 -21.6485 -21.6485 -3.0802 -3.0802 10.6149 10.6149 15.8587 15.8587 15.8587 15.8587 15.8587 15.8587 k = 0.0089 0.0052 0.0036 ( 1834 PWs) bands (ev): -49.8163 -49.8163 -21.8275 -21.8275 -21.6485 -21.6485 -21.6485 -21.6485 -3.0789 -3.0789 10.6107 10.6107 15.7936 15.7936 15.8478 15.8478 15.8480 15.8480 k = 0.0179 0.0103 0.0073 ( 1828 PWs) bands (ev): -49.8163 -49.8163 -21.8275 -21.8275 -21.6485 -21.6485 -21.6484 -21.6484 -3.0748 -3.0748 10.5980 10.5980 15.6373 15.6373 15.8170 15.8170 15.8176 15.8176 k = 0.0268 0.0155 0.0109 ( 1828 PWs) bands (ev): -49.8163 -49.8163 -21.8277 -21.8277 -21.6488 -21.6488 -21.6485 -21.6485 -3.0681 -3.0681 10.5769 10.5769 15.4405 15.4405 15.7709 15.7709 15.7720 15.7720 k = 0.0357 0.0206 0.0146 ( 1828 PWs) bands (ev): -49.8162 -49.8162 -21.8279 -21.8279 -21.6491 -21.6491 -21.6485 -21.6485 -3.0587 -3.0587 10.5472 10.5472 15.2276 15.2276 15.7142 15.7142 15.7159 15.7159 k = 0.0446 0.0258 0.0182 ( 1822 PWs) bands (ev): -49.8162 -49.8162 -21.8280 -21.8280 -21.6495 -21.6495 -21.6485 -21.6485 -3.0466 -3.0466 10.5090 10.5090 15.0095 15.0095 15.6508 15.6508 15.6529 15.6529 k = 0.0536 0.0309 0.0219 ( 1822 PWs) bands (ev): -49.8161 -49.8161 -21.8283 -21.8283 -21.6500 -21.6500 -21.6486 -21.6486 -3.0318 -3.0318 10.4621 10.4621 14.7912 14.7912 15.5833 15.5833 15.5858 15.5858 k = 0.0625 0.0361 0.0255 ( 1822 PWs) bands (ev): -49.8161 -49.8161 -21.8287 -21.8287 -21.6506 -21.6506 -21.6487 -21.6487 -3.0144 -3.0144 10.4065 10.4065 14.5758 14.5758 15.5135 15.5135 15.5164 15.5164 k = 0.0714 0.0412 0.0292 ( 1823 PWs) bands (ev): -49.8160 -49.8160 -21.8291 -21.8291 -21.6513 -21.6513 -21.6488 -21.6488 -2.9943 -2.9943 10.3422 10.3422 14.3651 14.3651 15.4427 15.4427 15.4458 15.4458 k = 0.0804 0.0464 0.0328 ( 1829 PWs) bands (ev): -49.8159 -49.8159 -21.8296 -21.8296 -21.6522 -21.6522 -21.6490 -21.6490 -2.9717 -2.9717 10.2691 10.2691 14.1604 14.1604 15.3715 15.3715 15.3749 15.3749 k = 0.0893 0.0515 0.0365 ( 1829 PWs) bands (ev): -49.8159 -49.8159 -21.8301 -21.8301 -21.6531 -21.6531 -21.6491 -21.6491 -2.9463 -2.9463 10.1872 10.1872 13.9627 13.9627 15.3006 15.3006 15.3042 15.3042 k = 0.0982 0.0567 0.0401 ( 1835 PWs) bands (ev): -49.8158 -49.8158 -21.8308 -21.8308 -21.6541 -21.6541 -21.6494 -21.6494 -2.9184 -2.9184 10.0964 10.0964 13.7728 13.7728 15.2304 15.2304 15.2341 15.2341 k = 0.1071 0.0619 0.0437 ( 1835 PWs) bands (ev): -49.8157 -49.8157 -21.8314 -21.8314 -21.6551 -21.6551 -21.6495 -21.6495 -2.8879 -2.8879 9.9968 9.9968 13.5910 13.5910 15.1611 15.1611 15.1649 15.1649 k = 0.1161 0.0670 0.0474 ( 1835 PWs) bands (ev): -49.8156 -49.8156 -21.8320 -21.8320 -21.6561 -21.6561 -21.6497 -21.6497 -2.8549 -2.8549 9.8886 9.8886 13.4180 13.4180 15.0930 15.0930 15.0969 15.0969 k = 0.1250 0.0722 0.0510 ( 1829 PWs) bands (ev): -49.8155 -49.8155 -21.8327 -21.8327 -21.6572 -21.6572 -21.6499 -21.6499 -2.8193 -2.8193 9.7720 9.7720 13.2538 13.2538 15.0261 15.0261 15.0300 15.0300 k = 0.1339 0.0773 0.0547 ( 1835 PWs) bands (ev): -49.8153 -49.8153 -21.8335 -21.8335 -21.6584 -21.6584 -21.6502 -21.6502 -2.7813 -2.7813 9.6472 9.6472 13.0986 13.0986 14.9606 14.9606 14.9646 14.9646 k = 0.1429 0.0825 0.0583 ( 1829 PWs) bands (ev): -49.8152 -49.8152 -21.8342 -21.8342 -21.6596 -21.6596 -21.6504 -21.6504 -2.7407 -2.7407 9.5148 9.5148 12.9524 12.9524 14.8966 14.8966 14.9006 14.9006 k = 0.1518 0.0876 0.0620 ( 1829 PWs) bands (ev): -49.8151 -49.8151 -21.8351 -21.8351 -21.6609 -21.6609 -21.6506 -21.6506 -2.6977 -2.6977 9.3750 9.3750 12.8150 12.8150 14.8341 14.8341 14.8382 14.8382 k = 0.1607 0.0928 0.0656 ( 1820 PWs) bands (ev): -49.8149 -49.8149 -21.8359 -21.8359 -21.6621 -21.6621 -21.6508 -21.6508 -2.6524 -2.6524 9.2286 9.2286 12.6862 12.6862 14.7733 14.7733 14.7773 14.7773 k = 0.1696 0.0979 0.0693 ( 1820 PWs) bands (ev): -49.8148 -49.8148 -21.8368 -21.8368 -21.6635 -21.6635 -21.6510 -21.6510 -2.6046 -2.6046 9.0760 9.0760 12.5657 12.5657 14.7140 14.7140 14.7180 14.7180 k = 0.1786 0.1031 0.0729 ( 1820 PWs) bands (ev): -49.8146 -49.8146 -21.8377 -21.8377 -21.6649 -21.6649 -21.6513 -21.6513 -2.5546 -2.5546 8.9181 8.9181 12.4530 12.4530 14.6564 14.6564 14.6604 14.6604 k = 0.1875 0.1083 0.0765 ( 1820 PWs) bands (ev): -49.8145 -49.8145 -21.8387 -21.8387 -21.6664 -21.6664 -21.6516 -21.6516 -2.5022 -2.5022 8.7555 8.7555 12.3476 12.3476 14.6005 14.6005 14.6044 14.6044 k = 0.1964 0.1134 0.0802 ( 1832 PWs) bands (ev): -49.8144 -49.8144 -21.8399 -21.8399 -21.6679 -21.6679 -21.6519 -21.6519 -2.4477 -2.4477 8.5888 8.5888 12.2493 12.2493 14.5463 14.5463 14.5501 14.5501 k = 0.2054 0.1186 0.0838 ( 1832 PWs) bands (ev): -49.8142 -49.8142 -21.8409 -21.8409 -21.6694 -21.6694 -21.6522 -21.6522 -2.3910 -2.3910 8.4188 8.4188 12.1573 12.1573 14.4937 14.4937 14.4975 14.4975 k = 0.2143 0.1237 0.0875 ( 1832 PWs) bands (ev): -49.8140 -49.8140 -21.8420 -21.8420 -21.6709 -21.6709 -21.6525 -21.6525 -2.3322 -2.3322 8.2462 8.2462 12.0714 12.0714 14.4429 14.4429 14.4466 14.4466 k = 0.2232 0.1289 0.0911 ( 1832 PWs) bands (ev): -49.8139 -49.8139 -21.8431 -21.8431 -21.6724 -21.6724 -21.6528 -21.6528 -2.2714 -2.2714 8.0714 8.0714 11.9911 11.9911 14.3938 14.3938 14.3973 14.3973 k = 0.2321 0.1340 0.0948 ( 1832 PWs) bands (ev): -49.8137 -49.8137 -21.8443 -21.8443 -21.6739 -21.6739 -21.6531 -21.6531 -2.2086 -2.2086 7.8953 7.8953 11.9159 11.9159 14.3463 14.3463 14.3498 14.3498 k = 0.2411 0.1392 0.0984 ( 1826 PWs) bands (ev): -49.8135 -49.8135 -21.8454 -21.8454 -21.6753 -21.6753 -21.6533 -21.6533 -2.1440 -2.1440 7.7182 7.7182 11.8455 11.8455 14.3006 14.3006 14.3039 14.3039 k = 0.2500 0.1443 0.1021 ( 1829 PWs) bands (ev): -49.8134 -49.8134 -21.8465 -21.8465 -21.6768 -21.6768 -21.6536 -21.6536 -2.0775 -2.0775 7.5408 7.5408 11.7796 11.7796 14.2565 14.2565 14.2597 14.2597 k = 0.2589 0.1495 0.1057 ( 1829 PWs) bands (ev): -49.8132 -49.8132 -21.8477 -21.8477 -21.6783 -21.6783 -21.6539 -21.6539 -2.0094 -2.0094 7.3635 7.3635 11.7178 11.7178 14.2142 14.2142 14.2173 14.2173 k = 0.2679 0.1546 0.1094 ( 1829 PWs) bands (ev): -49.8131 -49.8131 -21.8489 -21.8489 -21.6798 -21.6798 -21.6542 -21.6542 -1.9397 -1.9397 7.1868 7.1868 11.6598 11.6598 14.1735 14.1735 14.1764 14.1764 k = 0.2768 0.1598 0.1130 ( 1829 PWs) bands (ev): -49.8129 -49.8129 -21.8501 -21.8501 -21.6812 -21.6812 -21.6545 -21.6545 -1.8685 -1.8685 7.0111 7.0111 11.6054 11.6054 14.1345 14.1345 14.1373 14.1373 k = 0.2857 0.1650 0.1166 ( 1829 PWs) bands (ev): -49.8127 -49.8127 -21.8513 -21.8513 -21.6826 -21.6826 -21.6548 -21.6548 -1.7960 -1.7960 6.8368 6.8368 11.5544 11.5544 14.0971 14.0971 14.0998 14.0998 k = 0.2946 0.1701 0.1203 ( 1841 PWs) bands (ev): -49.8126 -49.8126 -21.8526 -21.8526 -21.6841 -21.6841 -21.6552 -21.6552 -1.7223 -1.7223 6.6643 6.6643 11.5065 11.5065 14.0614 14.0614 14.0639 14.0639 k = 0.3036 0.1753 0.1239 ( 1841 PWs) bands (ev): -49.8125 -49.8125 -21.8538 -21.8538 -21.6854 -21.6854 -21.6554 -21.6554 -1.6475 -1.6475 6.4939 6.4939 11.4617 11.4617 14.0274 14.0274 14.0297 14.0297 k = 0.3125 0.1804 0.1276 ( 1841 PWs) bands (ev): -49.8123 -49.8123 -21.8549 -21.8549 -21.6867 -21.6867 -21.6557 -21.6557 -1.5719 -1.5719 6.3261 6.3261 11.4197 11.4197 13.9949 13.9949 13.9971 13.9971 k = 0.3214 0.1856 0.1312 ( 1841 PWs) bands (ev): -49.8122 -49.8122 -21.8561 -21.8561 -21.6880 -21.6880 -21.6560 -21.6560 -1.4956 -1.4956 6.1612 6.1612 11.3804 11.3804 13.9641 13.9641 13.9662 13.9662 k = 0.3304 0.1907 0.1349 ( 1841 PWs) bands (ev): -49.8120 -49.8120 -21.8572 -21.8572 -21.6892 -21.6892 -21.6562 -21.6562 -1.4189 -1.4189 5.9995 5.9995 11.3436 11.3436 13.9349 13.9349 13.9368 13.9368 k = 0.3393 0.1959 0.1385 ( 1841 PWs) bands (ev): -49.8119 -49.8119 -21.8583 -21.8583 -21.6903 -21.6903 -21.6565 -21.6565 -1.3420 -1.3420 5.8414 5.8414 11.3093 11.3093 13.9073 13.9073 13.9090 13.9090 k = 0.3482 0.2010 0.1422 ( 1838 PWs) bands (ev): -49.8117 -49.8117 -21.8593 -21.8593 -21.6914 -21.6914 -21.6567 -21.6567 -1.2651 -1.2651 5.6873 5.6873 11.2773 11.2773 13.8813 13.8813 13.8828 13.8828 k = 0.3571 0.2062 0.1458 ( 1838 PWs) bands (ev): -49.8116 -49.8116 -21.8604 -21.8604 -21.6925 -21.6925 -21.6570 -21.6570 -1.1886 -1.1886 5.5376 5.5376 11.2476 11.2476 13.8568 13.8568 13.8582 13.8582 k = 0.3661 0.2114 0.1494 ( 1838 PWs) bands (ev): -49.8115 -49.8115 -21.8614 -21.8614 -21.6935 -21.6935 -21.6572 -21.6572 -1.1129 -1.1129 5.3927 5.3927 11.2200 11.2200 13.8339 13.8339 13.8351 13.8351 k = 0.3750 0.2165 0.1531 ( 1838 PWs) bands (ev): -49.8114 -49.8114 -21.8623 -21.8623 -21.6944 -21.6944 -21.6574 -21.6574 -1.0381 -1.0381 5.2531 5.2531 11.1945 11.1945 13.8125 13.8125 13.8136 13.8136 k = 0.3839 0.2217 0.1567 ( 1832 PWs) bands (ev): -49.8112 -49.8112 -21.8631 -21.8631 -21.6953 -21.6953 -21.6576 -21.6576 -0.9649 -0.9649 5.1192 5.1192 11.1711 11.1711 13.7927 13.7927 13.7937 13.7937 k = 0.3929 0.2268 0.1604 ( 1832 PWs) bands (ev): -49.8111 -49.8111 -21.8640 -21.8640 -21.6961 -21.6961 -21.6578 -21.6578 -0.8936 -0.8936 4.9915 4.9915 11.1496 11.1496 13.7743 13.7743 13.7752 13.7752 k = 0.4018 0.2320 0.1640 ( 1832 PWs) bands (ev): -49.8110 -49.8110 -21.8648 -21.8648 -21.6969 -21.6969 -21.6580 -21.6580 -0.8247 -0.8247 4.8706 4.8706 11.1301 11.1301 13.7575 13.7575 13.7583 13.7583 k = 0.4107 0.2371 0.1677 ( 1832 PWs) bands (ev): -49.8109 -49.8109 -21.8655 -21.8655 -21.6976 -21.6976 -21.6581 -21.6581 -0.7587 -0.7587 4.7571 4.7571 11.1124 11.1124 13.7422 13.7422 13.7428 13.7428 k = 0.4196 0.2423 0.1713 ( 1832 PWs) bands (ev): -49.8109 -49.8109 -21.8662 -21.8662 -21.6982 -21.6982 -21.6583 -21.6583 -0.6963 -0.6963 4.6515 4.6515 11.0965 11.0965 13.7284 13.7284 13.7289 13.7289 k = 0.4286 0.2474 0.1750 ( 1817 PWs) bands (ev): -49.8107 -49.8107 -21.8667 -21.8667 -21.6987 -21.6987 -21.6583 -21.6583 -0.6381 -0.6381 4.5546 4.5546 11.0823 11.0823 13.7161 13.7161 13.7165 13.7165 k = 0.4375 0.2526 0.1786 ( 1823 PWs) bands (ev): -49.8107 -49.8107 -21.8673 -21.8673 -21.6992 -21.6992 -21.6585 -21.6585 -0.5846 -0.5846 4.4669 4.4669 11.0700 11.0700 13.7052 13.7052 13.7055 13.7055 k = 0.4464 0.2577 0.1823 ( 1823 PWs) bands (ev): -49.8106 -49.8106 -21.8678 -21.8678 -21.6997 -21.6997 -21.6586 -21.6586 -0.5365 -0.5365 4.3891 4.3891 11.0593 11.0593 13.6958 13.6958 13.6960 13.6960 k = 0.4554 0.2629 0.1859 ( 1823 PWs) bands (ev): -49.8106 -49.8106 -21.8682 -21.8682 -21.7000 -21.7000 -21.6587 -21.6587 -0.4945 -0.4945 4.3220 4.3220 11.0503 11.0503 13.6879 13.6879 13.6880 13.6880 k = 0.4643 0.2681 0.1895 ( 1826 PWs) bands (ev): -49.8105 -49.8105 -21.8686 -21.8686 -21.7004 -21.7004 -21.6587 -21.6587 -0.4591 -0.4591 4.2660 4.2660 11.0430 11.0430 13.6814 13.6814 13.6815 13.6815 k = 0.4732 0.2732 0.1932 ( 1817 PWs) bands (ev): -49.8105 -49.8105 -21.8688 -21.8688 -21.7006 -21.7006 -21.6587 -21.6587 -0.4310 -0.4310 4.2218 4.2218 11.0373 11.0373 13.6763 13.6763 13.6764 13.6764 k = 0.4821 0.2784 0.1968 ( 1811 PWs) bands (ev): -49.8105 -49.8105 -21.8689 -21.8689 -21.7007 -21.7007 -21.6587 -21.6587 -0.4105 -0.4105 4.1899 4.1899 11.0333 11.0333 13.6727 13.6727 13.6728 13.6728 k = 0.4911 0.2835 0.2005 ( 1802 PWs) bands (ev): -49.8104 -49.8104 -21.8690 -21.8690 -21.7007 -21.7007 -21.6586 -21.6586 -0.3981 -0.3981 4.1706 4.1706 11.0309 11.0309 13.6706 13.6706 13.6706 13.6706 k = 0.5000 0.2887 0.2041 ( 1802 PWs) bands (ev): -49.8104 -49.8104 -21.8690 -21.8690 -21.7007 -21.7007 -21.6587 -21.6587 -0.3939 -0.3939 4.1641 4.1641 11.0301 11.0301 13.6699 13.6699 13.6699 13.6699 k = 0.5000 0.2887 0.2041 ( 1802 PWs) bands (ev): -49.8104 -49.8104 -21.8690 -21.8690 -21.7007 -21.7007 -21.6587 -21.6587 -0.3939 -0.3939 4.1641 4.1641 11.0301 11.0301 13.6699 13.6699 13.6699 13.6699 k = 0.5031 0.2797 0.2092 ( 1802 PWs) bands (ev): -49.8104 -49.8104 -21.8690 -21.8690 -21.7007 -21.7007 -21.6587 -21.6587 -0.3932 -0.3932 4.1656 4.1656 11.0174 11.0174 13.6647 13.6647 13.6786 13.6786 k = 0.5062 0.2706 0.2143 ( 1811 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7008 -21.7008 -21.6589 -21.6589 -0.3909 -0.3909 4.1701 4.1701 10.9799 10.9799 13.6493 13.6493 13.7040 13.7040 k = 0.5094 0.2616 0.2194 ( 1818 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7009 -21.7009 -21.6591 -21.6591 -0.3870 -0.3870 4.1775 4.1775 10.9196 10.9196 13.6243 13.6243 13.7435 13.7435 k = 0.5125 0.2526 0.2245 ( 1820 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7010 -21.7010 -21.6593 -21.6593 -0.3817 -0.3817 4.1879 4.1879 10.8390 10.8390 13.5903 13.5903 13.7932 13.7932 k = 0.5156 0.2436 0.2296 ( 1820 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7010 -21.7010 -21.6596 -21.6596 -0.3748 -0.3748 4.2013 4.2013 10.7413 10.7413 13.5484 13.5484 13.8484 13.8484 k = 0.5188 0.2345 0.2347 ( 1818 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7010 -21.7010 -21.6599 -21.6599 -0.3665 -0.3665 4.2176 4.2176 10.6293 10.6293 13.4996 13.4996 13.9041 13.9041 k = 0.5219 0.2255 0.2398 ( 1814 PWs) bands (ev): -49.8103 -49.8103 -21.8691 -21.8691 -21.7011 -21.7011 -21.6602 -21.6602 -0.3566 -0.3566 4.2369 4.2369 10.5057 10.5057 13.4448 13.4448 13.9551 13.9551 k = 0.5250 0.2165 0.2449 ( 1814 PWs) bands (ev): -49.8103 -49.8103 -21.8691 -21.8691 -21.7011 -21.7011 -21.6607 -21.6607 -0.3453 -0.3453 4.2591 4.2591 10.3728 10.3728 13.3853 13.3853 13.9966 13.9966 k = 0.5281 0.2075 0.2501 ( 1822 PWs) bands (ev): -49.8103 -49.8103 -21.8692 -21.8692 -21.7012 -21.7012 -21.6612 -21.6612 -0.3326 -0.3326 4.2842 4.2842 10.2326 10.2326 13.3218 13.3218 14.0242 14.0242 k = 0.5312 0.1985 0.2552 ( 1823 PWs) bands (ev): -49.8103 -49.8103 -21.8692 -21.8692 -21.7013 -21.7013 -21.6618 -21.6618 -0.3185 -0.3185 4.3122 4.3122 10.0866 10.0866 13.2552 13.2552 14.0352 14.0352 k = 0.5344 0.1894 0.2603 ( 1822 PWs) bands (ev): -49.8102 -49.8102 -21.8692 -21.8692 -21.7014 -21.7014 -21.6623 -21.6623 -0.3030 -0.3030 4.3431 4.3431 9.9363 9.9363 13.1863 13.1863 14.0282 14.0282 k = 0.5375 0.1804 0.2654 ( 1818 PWs) bands (ev): -49.8102 -49.8102 -21.8692 -21.8692 -21.7014 -21.7014 -21.6629 -21.6629 -0.2862 -0.2862 4.3769 4.3769 9.7826 9.7826 13.1158 13.1158 14.0034 14.0034 k = 0.5406 0.1714 0.2705 ( 1818 PWs) bands (ev): -49.8101 -49.8101 -21.8692 -21.8692 -21.7015 -21.7015 -21.6636 -21.6636 -0.2681 -0.2681 4.4135 4.4135 9.6265 9.6265 13.0442 13.0442 13.9624 13.9624 k = 0.5437 0.1624 0.2756 ( 1818 PWs) bands (ev): -49.8101 -49.8101 -21.8692 -21.8692 -21.7016 -21.7016 -21.6643 -21.6643 -0.2487 -0.2487 4.4528 4.4528 9.4687 9.4687 12.9719 12.9719 13.9076 13.9076 k = 0.5469 0.1534 0.2807 ( 1816 PWs) bands (ev): -49.8100 -49.8100 -21.8692 -21.8692 -21.7017 -21.7017 -21.6650 -21.6650 -0.2282 -0.2282 4.4950 4.4950 9.3099 9.3099 12.8994 12.8994 13.8415 13.8415 k = 0.5500 0.1443 0.2858 ( 1808 PWs) bands (ev): -49.8099 -49.8099 -21.8692 -21.8692 -21.7017 -21.7017 -21.6657 -21.6657 -0.2066 -0.2066 4.5399 4.5399 9.1506 9.1506 12.8270 12.8270 13.7667 13.7667 k = 0.5531 0.1353 0.2909 ( 1810 PWs) bands (ev): -49.8099 -49.8099 -21.8693 -21.8693 -21.7018 -21.7018 -21.6664 -21.6664 -0.1838 -0.1838 4.5874 4.5874 8.9914 8.9914 12.7551 12.7551 13.6854 13.6854 k = 0.5563 0.1263 0.2960 ( 1812 PWs) bands (ev): -49.8098 -49.8098 -21.8693 -21.8693 -21.7019 -21.7019 -21.6673 -21.6673 -0.1601 -0.1601 4.6377 4.6377 8.8326 8.8326 12.6839 12.6839 13.5996 13.5996 k = 0.5594 0.1173 0.3011 ( 1812 PWs) bands (ev): -49.8098 -49.8098 -21.8694 -21.8694 -21.7020 -21.7020 -21.6681 -21.6681 -0.1355 -0.1355 4.6904 4.6904 8.6747 8.6747 12.6136 12.6136 13.5109 13.5109 k = 0.5625 0.1083 0.3062 ( 1810 PWs) bands (ev): -49.8097 -49.8097 -21.8694 -21.8694 -21.7021 -21.7021 -21.6689 -21.6689 -0.1101 -0.1101 4.7458 4.7458 8.5181 8.5181 12.5444 12.5444 13.4204 13.4204 k = 0.5656 0.0992 0.3113 ( 1812 PWs) bands (ev): -49.8096 -49.8096 -21.8695 -21.8695 -21.7022 -21.7022 -21.6697 -21.6697 -0.0840 -0.0840 4.8035 4.8035 8.3630 8.3630 12.4764 12.4764 13.3292 13.3292 k = 0.5687 0.0902 0.3164 ( 1810 PWs) bands (ev): -49.8096 -49.8096 -21.8696 -21.8696 -21.7023 -21.7023 -21.6705 -21.6705 -0.0572 -0.0572 4.8637 4.8637 8.2100 8.2100 12.4098 12.4098 13.2381 13.2381 k = 0.5719 0.0812 0.3215 ( 1814 PWs) bands (ev): -49.8095 -49.8095 -21.8697 -21.8697 -21.7024 -21.7024 -21.6714 -21.6714 -0.0299 -0.0299 4.9261 4.9261 8.0592 8.0592 12.3447 12.3447 13.1479 13.1479 k = 0.5750 0.0722 0.3266 ( 1816 PWs) bands (ev): -49.8095 -49.8095 -21.8698 -21.8698 -21.7025 -21.7025 -21.6722 -21.6722 -0.0023 -0.0023 4.9906 4.9906 7.9112 7.9112 12.2813 12.2813 13.0589 13.0589 k = 0.5781 0.0631 0.3317 ( 1818 PWs) bands (ev): -49.8094 -49.8094 -21.8700 -21.8700 -21.7027 -21.7027 -21.6730 -21.6730 0.0256 0.0256 5.0571 5.0571 7.7663 7.7663 12.2195 12.2195 12.9717 12.9717 k = 0.5813 0.0541 0.3368 ( 1818 PWs) bands (ev): -49.8093 -49.8093 -21.8701 -21.8701 -21.7027 -21.7027 -21.6737 -21.6737 0.0536 0.0536 5.1253 5.1253 7.6249 7.6249 12.1595 12.1595 12.8867 12.8867 k = 0.5844 0.0451 0.3419 ( 1821 PWs) bands (ev): -49.8093 -49.8093 -21.8703 -21.8703 -21.7029 -21.7029 -21.6745 -21.6745 0.0815 0.0815 5.1951 5.1951 7.4875 7.4875 12.1013 12.1013 12.8040 12.8040 k = 0.5875 0.0361 0.3470 ( 1818 PWs) bands (ev): -49.8092 -49.8092 -21.8704 -21.8704 -21.7029 -21.7029 -21.6752 -21.6752 0.1092 0.1092 5.2661 5.2661 7.3547 7.3547 12.0451 12.0451 12.7240 12.7240 k = 0.5906 0.0271 0.3521 ( 1816 PWs) bands (ev): -49.8091 -49.8091 -21.8705 -21.8705 -21.7030 -21.7030 -21.6758 -21.6758 0.1364 0.1364 5.3377 5.3377 7.2273 7.2273 11.9908 11.9908 12.6469 12.6469 k = 0.5938 0.0180 0.3572 ( 1815 PWs) bands (ev): -49.8091 -49.8091 -21.8706 -21.8706 -21.7031 -21.7031 -21.6765 -21.6765 0.1630 0.1630 5.4095 5.4095 7.1060 7.1060 11.9385 11.9385 12.5728 12.5728 k = 0.5969 0.0090 0.3623 ( 1816 PWs) bands (ev): -49.8090 -49.8090 -21.8708 -21.8708 -21.7031 -21.7031 -21.6771 -21.6771 0.1887 0.1887 5.4805 5.4805 6.9921 6.9921 11.8882 11.8882 12.5020 12.5020 k = 0.6000-0.0000 0.3674 ( 1814 PWs) bands (ev): -49.8090 -49.8090 -21.8709 -21.8709 -21.7032 -21.7032 -21.6776 -21.6776 0.2133 0.2133 5.5493 5.5493 6.8871 6.8871 11.8400 11.8400 12.4344 12.4344 k = 0.6031-0.0090 0.3725 ( 1815 PWs) bands (ev): -49.8089 -49.8089 -21.8711 -21.8711 -21.7033 -21.7033 -21.6781 -21.6781 0.2365 0.2365 5.6141 5.6141 6.7931 6.7931 11.7940 11.7940 12.3703 12.3703 k = 0.6062-0.0180 0.3776 ( 1809 PWs) bands (ev): -49.8089 -49.8089 -21.8712 -21.8712 -21.7033 -21.7033 -21.6785 -21.6785 0.2582 0.2582 5.6723 5.6723 6.7132 6.7132 11.7500 11.7500 12.3098 12.3098 k = 0.6094-0.0271 0.3827 ( 1809 PWs) bands (ev): -49.8088 -49.8088 -21.8713 -21.8713 -21.7034 -21.7034 -21.6789 -21.6789 0.2780 0.2780 5.7200 5.7200 6.6513 6.6513 11.7082 11.7082 12.2528 12.2528 k = 0.6125-0.0361 0.3878 ( 1809 PWs) bands (ev): -49.8088 -49.8088 -21.8715 -21.8715 -21.7035 -21.7035 -21.6792 -21.6792 0.2956 0.2956 5.7530 5.7530 6.6119 6.6119 11.6686 11.6686 12.1996 12.1996 k = 0.6156-0.0451 0.3929 ( 1813 PWs) bands (ev): -49.8088 -49.8088 -21.8716 -21.8716 -21.7036 -21.7036 -21.6795 -21.6795 0.3107 0.3107 5.7679 5.7679 6.5989 6.5989 11.6312 11.6312 12.1502 12.1502 k = 0.6188-0.0541 0.3980 ( 1810 PWs) bands (ev): -49.8087 -49.8087 -21.8717 -21.8717 -21.7036 -21.7036 -21.6797 -21.6797 0.3232 0.3232 5.7639 5.7639 6.6131 6.6131 11.5960 11.5960 12.1046 12.1046 k = 0.6219-0.0631 0.4031 ( 1812 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7037 -21.7037 -21.6799 -21.6799 0.3326 0.3326 5.7440 5.7440 6.6520 6.6520 11.5630 11.5630 12.0629 12.0629 k = 0.6250-0.0722 0.4082 ( 1822 PWs) bands (ev): -49.8087 -49.8087 -21.8720 -21.8720 -21.7038 -21.7038 -21.6801 -21.6801 0.3387 0.3387 5.7132 5.7132 6.7107 6.7107 11.5323 11.5323 12.0251 12.0251 k = 0.6250-0.0722 0.4082 ( 1822 PWs) bands (ev): -49.8087 -49.8087 -21.8720 -21.8720 -21.7038 -21.7038 -21.6801 -21.6801 0.3387 0.3387 5.7132 5.7132 6.7107 6.7107 11.5323 11.5323 12.0251 12.0251 k = 0.6196-0.0690 0.4171 ( 1812 PWs) bands (ev): -49.8087 -49.8087 -21.8720 -21.8720 -21.7037 -21.7037 -21.6800 -21.6800 0.3391 0.3391 5.7145 5.7145 6.7112 6.7112 11.4487 11.4487 12.1128 12.1128 k = 0.6141-0.0659 0.4260 ( 1810 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7037 -21.7037 -21.6801 -21.6801 0.3403 0.3403 5.7184 5.7184 6.7127 6.7127 11.2782 11.2782 12.2954 12.2954 k = 0.6087-0.0628 0.4349 ( 1812 PWs) bands (ev): -49.8087 -49.8087 -21.8720 -21.8720 -21.7036 -21.7036 -21.6802 -21.6802 0.3423 0.3423 5.7249 5.7249 6.7151 6.7151 11.0860 11.0860 12.5078 12.5078 k = 0.6033-0.0596 0.4437 ( 1809 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7035 -21.7035 -21.6803 -21.6803 0.3451 0.3451 5.7340 5.7340 6.7183 6.7183 10.8897 10.8897 12.7325 12.7325 k = 0.5978-0.0565 0.4526 ( 1803 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7034 -21.7034 -21.6805 -21.6805 0.3487 0.3487 5.7457 5.7457 6.7221 6.7221 10.6945 10.6945 12.9644 12.9644 k = 0.5924-0.0533 0.4615 ( 1803 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7032 -21.7032 -21.6807 -21.6807 0.3530 0.3530 5.7601 5.7601 6.7264 6.7264 10.5027 10.5027 13.2012 13.2012 k = 0.5870-0.0502 0.4704 ( 1803 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7031 -21.7031 -21.6810 -21.6810 0.3579 0.3579 5.7770 5.7770 6.7309 6.7309 10.3158 10.3158 13.4417 13.4417 k = 0.5815-0.0471 0.4792 ( 1801 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7029 -21.7029 -21.6813 -21.6813 0.3635 0.3635 5.7966 5.7966 6.7352 6.7352 10.1345 10.1345 13.6853 13.6853 k = 0.5761-0.0439 0.4881 ( 1809 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7028 -21.7028 -21.6817 -21.6817 0.3695 0.3695 5.8187 5.8187 6.7390 6.7390 9.9597 9.9597 13.9312 13.9312 k = 0.5707-0.0408 0.4970 ( 1811 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7026 -21.7026 -21.6821 -21.6821 0.3761 0.3761 5.8435 5.8435 6.7417 6.7417 9.7922 9.7922 14.1788 14.1788 k = 0.5652-0.0377 0.5059 ( 1809 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7024 -21.7024 -21.6825 -21.6825 0.3830 0.3830 5.8709 5.8709 6.7429 6.7429 9.6328 9.6328 14.4275 14.4275 k = 0.5598-0.0345 0.5147 ( 1809 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7022 -21.7022 -21.6828 -21.6828 0.3903 0.3903 5.9009 5.9009 6.7419 6.7419 9.4824 9.4824 14.6763 14.6763 k = 0.5543-0.0314 0.5236 ( 1811 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7020 -21.7020 -21.6833 -21.6833 0.3977 0.3977 5.9336 5.9336 6.7380 6.7380 9.3418 9.3418 14.9240 14.9240 k = 0.5489-0.0282 0.5325 ( 1810 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7018 -21.7018 -21.6837 -21.6837 0.4051 0.4051 5.9688 5.9688 6.7303 6.7303 9.2121 9.2121 15.1691 15.1691 k = 0.5435-0.0251 0.5414 ( 1810 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7016 -21.7016 -21.6840 -21.6840 0.4125 0.4125 6.0067 6.0067 6.7181 6.7181 9.0942 9.0942 15.4091 15.4091 k = 0.5380-0.0220 0.5502 ( 1810 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7014 -21.7014 -21.6844 -21.6844 0.4197 0.4197 6.0472 6.0472 6.7006 6.7006 8.9891 8.9891 15.6404 15.6404 k = 0.5326-0.0188 0.5591 ( 1810 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7012 -21.7012 -21.6847 -21.6847 0.4265 0.4265 6.0903 6.0903 6.6771 6.6771 8.8977 8.8977 15.8575 15.8575 k = 0.5272-0.0157 0.5680 ( 1804 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7010 -21.7010 -21.6850 -21.6850 0.4328 0.4328 6.1361 6.1361 6.6471 6.6471 8.8206 8.8206 16.0527 16.0527 k = 0.5217-0.0126 0.5769 ( 1806 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7009 -21.7009 -21.6853 -21.6853 0.4383 0.4383 6.1845 6.1845 6.6104 6.6104 8.7583 8.7583 16.2164 16.2164 k = 0.5163-0.0094 0.5857 ( 1806 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7008 -21.7008 -21.6855 -21.6855 0.4430 0.4430 6.2356 6.2356 6.5672 6.5672 8.7108 8.7108 16.3401 16.3401 k = 0.5109-0.0063 0.5946 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7006 -21.7006 -21.6856 -21.6856 0.4466 0.4466 6.2892 6.2892 6.5179 6.5179 8.6778 8.6778 16.4214 16.4214 k = 0.5054-0.0031 0.6035 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7006 -21.7006 -21.6857 -21.6857 0.4490 0.4490 6.3455 6.3455 6.4635 6.4635 8.6586 8.6586 16.4648 16.4648 k = 0.5000-0.0000 0.6124 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7006 -21.7006 -21.6857 -21.6857 0.4498 0.4498 6.4005 6.4005 6.4089 6.4089 8.6524 8.6524 16.4776 16.4776 k = 0.5000-0.0000 0.6124 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7006 -21.7006 -21.6857 -21.6857 0.4498 0.4498 6.4005 6.4005 6.4089 6.4089 8.6524 8.6524 16.4776 16.4776 k = 0.5000 0.0063 0.6035 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7006 -21.7006 -21.6857 -21.6857 0.4485 0.4485 6.3965 6.3965 6.4100 6.4100 8.6615 8.6615 16.4704 16.4704 k = 0.5000 0.0126 0.5946 ( 1800 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7006 -21.7006 -21.6856 -21.6856 0.4446 0.4446 6.3777 6.3777 6.4202 6.4202 8.6883 8.6883 16.4495 16.4495 k = 0.5000 0.0188 0.5857 ( 1804 PWs) bands (ev): -49.8085 -49.8085 -21.8719 -21.8719 -21.7007 -21.7007 -21.6854 -21.6854 0.4382 0.4382 6.3459 6.3459 6.4388 6.4388 8.7319 8.7319 16.4163 16.4163 k = 0.5000 0.0251 0.5769 ( 1810 PWs) bands (ev): -49.8086 -49.8086 -21.8719 -21.8719 -21.7009 -21.7009 -21.6852 -21.6852 0.4292 0.4292 6.3031 6.3031 6.4650 6.4650 8.7909 8.7909 16.3725 16.3725 k = 0.5000 0.0314 0.5680 ( 1810 PWs) bands (ev): -49.8086 -49.8086 -21.8718 -21.8718 -21.7010 -21.7010 -21.6848 -21.6848 0.4179 0.4179 6.2509 6.2509 6.4986 6.4986 8.8637 8.8637 16.3204 16.3204 k = 0.5000 0.0377 0.5591 ( 1806 PWs) bands (ev): -49.8086 -49.8086 -21.8717 -21.8717 -21.7011 -21.7011 -21.6844 -21.6844 0.4043 0.4043 6.1912 6.1912 6.5394 6.5394 8.9488 8.9488 16.2617 16.2617 k = 0.5000 0.0439 0.5502 ( 1806 PWs) bands (ev): -49.8086 -49.8086 -21.8716 -21.8716 -21.7012 -21.7012 -21.6839 -21.6839 0.3885 0.3885 6.1254 6.1254 6.5873 6.5873 9.0445 9.0445 16.1983 16.1983 k = 0.5000 0.0502 0.5414 ( 1806 PWs) bands (ev): -49.8087 -49.8087 -21.8715 -21.8715 -21.7013 -21.7013 -21.6834 -21.6834 0.3707 0.3707 6.0549 6.0549 6.6421 6.6421 9.1493 9.1493 16.1313 16.1313 k = 0.5000 0.0565 0.5325 ( 1812 PWs) bands (ev): -49.8087 -49.8087 -21.8714 -21.8714 -21.7015 -21.7015 -21.6829 -21.6829 0.3510 0.3510 5.9809 5.9809 6.7037 6.7037 9.2621 9.2621 16.0620 16.0620 k = 0.5000 0.0628 0.5236 ( 1812 PWs) bands (ev): -49.8088 -49.8088 -21.8713 -21.8713 -21.7016 -21.7016 -21.6823 -21.6823 0.3297 0.3297 5.9044 5.9044 6.7719 6.7719 9.3818 9.3818 15.9911 15.9911 k = 0.5000 0.0690 0.5147 ( 1812 PWs) bands (ev): -49.8088 -49.8088 -21.8712 -21.8712 -21.7017 -21.7017 -21.6816 -21.6816 0.3068 0.3068 5.8264 5.8264 6.8464 6.8464 9.5075 9.5075 15.9194 15.9194 k = 0.5000 0.0753 0.5059 ( 1812 PWs) bands (ev): -49.8088 -49.8088 -21.8711 -21.8711 -21.7018 -21.7018 -21.6809 -21.6809 0.2825 0.2825 5.7474 5.7474 6.9271 6.9271 9.6385 9.6385 15.8472 15.8472 k = 0.5000 0.0816 0.4970 ( 1810 PWs) bands (ev): -49.8089 -49.8089 -21.8709 -21.8709 -21.7019 -21.7019 -21.6801 -21.6801 0.2570 0.2570 5.6681 5.6681 7.0137 7.0137 9.7740 9.7740 15.7751 15.7751 k = 0.5000 0.0879 0.4881 ( 1812 PWs) bands (ev): -49.8089 -49.8089 -21.8708 -21.8708 -21.7020 -21.7020 -21.6794 -21.6794 0.2305 0.2305 5.5889 5.5889 7.1061 7.1061 9.9135 9.9135 15.7033 15.7033 k = 0.5000 0.0941 0.4792 ( 1814 PWs) bands (ev): -49.8090 -49.8090 -21.8707 -21.8707 -21.7021 -21.7021 -21.6786 -21.6786 0.2032 0.2032 5.5103 5.5103 7.2039 7.2039 10.0566 10.0566 15.6319 15.6319 k = 0.5000 0.1004 0.4704 ( 1814 PWs) bands (ev): -49.8091 -49.8091 -21.8705 -21.8705 -21.7022 -21.7022 -21.6778 -21.6778 0.1753 0.1753 5.4326 5.4326 7.3071 7.3071 10.2028 10.2028 15.5613 15.5613 k = 0.5000 0.1067 0.4615 ( 1814 PWs) bands (ev): -49.8091 -49.8091 -21.8704 -21.8704 -21.7022 -21.7022 -21.6770 -21.6770 0.1468 0.1468 5.3561 5.3561 7.4153 7.4153 10.3517 10.3517 15.4914 15.4914 k = 0.5000 0.1130 0.4526 ( 1810 PWs) bands (ev): -49.8092 -49.8092 -21.8702 -21.8702 -21.7022 -21.7022 -21.6761 -21.6761 0.1180 0.1180 5.2811 5.2811 7.5284 7.5284 10.5029 10.5029 15.4223 15.4223 k = 0.5000 0.1192 0.4437 ( 1814 PWs) bands (ev): -49.8092 -49.8092 -21.8701 -21.8701 -21.7023 -21.7023 -21.6753 -21.6753 0.0891 0.0891 5.2076 5.2076 7.6460 7.6460 10.6561 10.6561 15.3542 15.3542 k = 0.5000 0.1255 0.4349 ( 1814 PWs) bands (ev): -49.8093 -49.8093 -21.8700 -21.8700 -21.7023 -21.7023 -21.6744 -21.6744 0.0601 0.0601 5.1359 5.1359 7.7681 7.7681 10.8109 10.8109 15.2869 15.2869 k = 0.5000 0.1318 0.4260 ( 1814 PWs) bands (ev): -49.8094 -49.8094 -21.8699 -21.8699 -21.7023 -21.7023 -21.6735 -21.6735 0.0312 0.0312 5.0662 5.0662 7.8943 7.8943 10.9670 10.9670 15.2205 15.2205 k = 0.5000 0.1381 0.4171 ( 1808 PWs) bands (ev): -49.8094 -49.8094 -21.8697 -21.8697 -21.7022 -21.7022 -21.6726 -21.6726 0.0025 0.0025 4.9986 4.9986 8.0245 8.0245 11.1241 11.1241 15.1549 15.1549 k = 0.5000 0.1443 0.4082 ( 1808 PWs) bands (ev): -49.8095 -49.8095 -21.8696 -21.8696 -21.7022 -21.7022 -21.6717 -21.6717 -0.0258 -0.0258 4.9331 4.9331 8.1583 8.1583 11.2816 11.2816 15.0900 15.0900 k = 0.5000 0.1506 0.3994 ( 1808 PWs) bands (ev): -49.8096 -49.8096 -21.8696 -21.8696 -21.7021 -21.7021 -21.6708 -21.6708 -0.0536 -0.0536 4.8699 4.8699 8.2955 8.2955 11.4394 11.4394 15.0258 15.0258 k = 0.5000 0.1569 0.3905 ( 1806 PWs) bands (ev): -49.8096 -49.8096 -21.8695 -21.8695 -21.7021 -21.7021 -21.6699 -21.6699 -0.0808 -0.0808 4.8091 4.8091 8.4360 8.4360 11.5968 11.5968 14.9620 14.9620 k = 0.5000 0.1632 0.3816 ( 1810 PWs) bands (ev): -49.8097 -49.8097 -21.8694 -21.8694 -21.7020 -21.7020 -21.6691 -21.6691 -0.1074 -0.1074 4.7507 4.7507 8.5793 8.5793 11.7535 11.7535 14.8984 14.8984 k = 0.5000 0.1694 0.3727 ( 1810 PWs) bands (ev): -49.8097 -49.8097 -21.8694 -21.8694 -21.7020 -21.7020 -21.6682 -21.6682 -0.1331 -0.1331 4.6949 4.6949 8.7252 8.7252 11.9089 11.9089 14.8350 14.8350 k = 0.5000 0.1757 0.3639 ( 1812 PWs) bands (ev): -49.8098 -49.8098 -21.8693 -21.8693 -21.7019 -21.7019 -21.6674 -21.6674 -0.1580 -0.1580 4.6416 4.6416 8.8733 8.8733 12.0625 12.0625 14.7715 14.7715 k = 0.5000 0.1820 0.3550 ( 1812 PWs) bands (ev): -49.8099 -49.8099 -21.8693 -21.8693 -21.7018 -21.7018 -21.6666 -21.6666 -0.1820 -0.1820 4.5909 4.5909 9.0234 9.0234 12.2135 12.2135 14.7076 14.7076 k = 0.5000 0.1883 0.3461 ( 1818 PWs) bands (ev): -49.8099 -49.8099 -21.8693 -21.8693 -21.7018 -21.7018 -21.6658 -21.6658 -0.2050 -0.2050 4.5430 4.5430 9.1750 9.1750 12.3614 12.3614 14.6431 14.6431 k = 0.5000 0.1945 0.3372 ( 1820 PWs) bands (ev): -49.8100 -49.8100 -21.8693 -21.8693 -21.7017 -21.7017 -21.6651 -21.6651 -0.2268 -0.2268 4.4977 4.4977 9.3277 9.3277 12.5052 12.5052 14.5776 14.5776 k = 0.5000 0.2008 0.3284 ( 1812 PWs) bands (ev): -49.8100 -49.8100 -21.8692 -21.8692 -21.7016 -21.7016 -21.6643 -21.6643 -0.2475 -0.2475 4.4552 4.4552 9.4810 9.4810 12.6443 12.6443 14.5110 14.5110 k = 0.5000 0.2071 0.3195 ( 1814 PWs) bands (ev): -49.8101 -49.8101 -21.8691 -21.8691 -21.7015 -21.7015 -21.6636 -21.6636 -0.2670 -0.2670 4.4155 4.4155 9.6342 9.6342 12.7776 12.7776 14.4429 14.4429 k = 0.5000 0.2134 0.3106 ( 1812 PWs) bands (ev): -49.8101 -49.8101 -21.8691 -21.8691 -21.7014 -21.7014 -21.6629 -21.6629 -0.2853 -0.2853 4.3786 4.3786 9.7867 9.7867 12.9043 12.9043 14.3731 14.3731 k = 0.5000 0.2196 0.3017 ( 1814 PWs) bands (ev): -49.8102 -49.8102 -21.8691 -21.8691 -21.7013 -21.7013 -21.6623 -21.6623 -0.3023 -0.3023 4.3446 4.3446 9.9376 9.9376 13.0235 13.0235 14.3016 14.3016 k = 0.5000 0.2259 0.2929 ( 1816 PWs) bands (ev): -49.8102 -49.8102 -21.8691 -21.8691 -21.7013 -21.7013 -21.6617 -21.6617 -0.3179 -0.3179 4.3135 4.3135 10.0860 10.0860 13.1341 13.1341 14.2284 14.2284 k = 0.5000 0.2322 0.2840 ( 1816 PWs) bands (ev): -49.8103 -49.8103 -21.8691 -21.8691 -21.7012 -21.7012 -21.6612 -21.6612 -0.3321 -0.3321 4.2852 4.2852 10.2307 10.2307 13.2356 13.2356 14.1539 14.1539 k = 0.5000 0.2385 0.2751 ( 1818 PWs) bands (ev): -49.8103 -49.8103 -21.8691 -21.8691 -21.7011 -21.7011 -21.6607 -21.6607 -0.3449 -0.3449 4.2599 4.2599 10.3703 10.3703 13.3270 13.3270 14.0787 14.0787 k = 0.5000 0.2447 0.2662 ( 1818 PWs) bands (ev): -49.8103 -49.8103 -21.8691 -21.8691 -21.7011 -21.7011 -21.6603 -21.6603 -0.3563 -0.3563 4.2375 4.2375 10.5031 10.5031 13.4080 13.4080 14.0038 14.0038 k = 0.5000 0.2510 0.2574 ( 1818 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7010 -21.7010 -21.6599 -21.6599 -0.3662 -0.3662 4.2181 4.2181 10.6269 10.6269 13.4781 13.4781 13.9308 13.9308 k = 0.5000 0.2573 0.2485 ( 1820 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7010 -21.7010 -21.6596 -21.6596 -0.3747 -0.3747 4.2016 4.2016 10.7393 10.7393 13.5372 13.5372 13.8617 13.8617 k = 0.5000 0.2636 0.2396 ( 1820 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7010 -21.7010 -21.6593 -21.6593 -0.3816 -0.3816 4.1881 4.1881 10.8376 10.8376 13.5853 13.5853 13.7990 13.7990 k = 0.5000 0.2698 0.2307 ( 1818 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7009 -21.7009 -21.6591 -21.6591 -0.3870 -0.3870 4.1776 4.1776 10.9187 10.9187 13.6225 13.6225 13.7456 13.7456 k = 0.5000 0.2761 0.2219 ( 1814 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7009 -21.7009 -21.6589 -21.6589 -0.3908 -0.3908 4.1701 4.1701 10.9795 10.9795 13.6489 13.6489 13.7046 13.7046 k = 0.5000 0.2824 0.2130 ( 1802 PWs) bands (ev): -49.8104 -49.8104 -21.8690 -21.8690 -21.7007 -21.7007 -21.6587 -21.6587 -0.3931 -0.3931 4.1656 4.1656 11.0172 11.0172 13.6646 13.6646 13.6787 13.6787 k = 0.5000 0.2887 0.2041 ( 1802 PWs) bands (ev): -49.8104 -49.8104 -21.8690 -21.8690 -21.7007 -21.7007 -21.6587 -21.6587 -0.3939 -0.3939 4.1641 4.1641 11.0301 11.0301 13.6699 13.6699 13.6699 13.6699 k = 0.5000 0.2887 0.2041 ( 1802 PWs) bands (ev): -49.8104 -49.8104 -21.8690 -21.8690 -21.7007 -21.7007 -21.6587 -21.6587 -0.3939 -0.3939 4.1641 4.1641 11.0301 11.0301 13.6699 13.6699 13.6699 13.6699 k = 0.4969 0.2869 0.2143 ( 1802 PWs) bands (ev): -49.8104 -49.8104 -21.8690 -21.8690 -21.7007 -21.7007 -21.6587 -21.6587 -0.3932 -0.3932 4.1656 4.1656 11.0174 11.0174 13.6647 13.6647 13.6786 13.6786 k = 0.4938 0.2851 0.2245 ( 1811 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7008 -21.7008 -21.6589 -21.6589 -0.3909 -0.3909 4.1701 4.1701 10.9799 10.9799 13.6493 13.6493 13.7040 13.7040 k = 0.4906 0.2833 0.2347 ( 1818 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7009 -21.7009 -21.6591 -21.6591 -0.3870 -0.3870 4.1775 4.1775 10.9196 10.9196 13.6243 13.6243 13.7435 13.7435 k = 0.4875 0.2815 0.2449 ( 1820 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7010 -21.7010 -21.6593 -21.6593 -0.3817 -0.3817 4.1879 4.1879 10.8390 10.8390 13.5903 13.5903 13.7932 13.7932 k = 0.4844 0.2797 0.2552 ( 1820 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7010 -21.7010 -21.6596 -21.6596 -0.3748 -0.3748 4.2013 4.2013 10.7413 10.7413 13.5484 13.5484 13.8484 13.8484 k = 0.4813 0.2778 0.2654 ( 1818 PWs) bands (ev): -49.8104 -49.8104 -21.8691 -21.8691 -21.7010 -21.7010 -21.6599 -21.6599 -0.3665 -0.3665 4.2176 4.2176 10.6293 10.6293 13.4996 13.4996 13.9041 13.9041 k = 0.4781 0.2760 0.2756 ( 1814 PWs) bands (ev): -49.8103 -49.8103 -21.8691 -21.8691 -21.7011 -21.7011 -21.6602 -21.6602 -0.3566 -0.3566 4.2369 4.2369 10.5057 10.5057 13.4448 13.4448 13.9551 13.9551 k = 0.4750 0.2742 0.2858 ( 1814 PWs) bands (ev): -49.8103 -49.8103 -21.8691 -21.8691 -21.7011 -21.7011 -21.6607 -21.6607 -0.3453 -0.3453 4.2591 4.2591 10.3728 10.3728 13.3853 13.3853 13.9966 13.9966 k = 0.4719 0.2724 0.2960 ( 1822 PWs) bands (ev): -49.8103 -49.8103 -21.8692 -21.8692 -21.7012 -21.7012 -21.6612 -21.6612 -0.3326 -0.3326 4.2842 4.2842 10.2326 10.2326 13.3218 13.3218 14.0242 14.0242 k = 0.4688 0.2706 0.3062 ( 1823 PWs) bands (ev): -49.8103 -49.8103 -21.8692 -21.8692 -21.7013 -21.7013 -21.6618 -21.6618 -0.3185 -0.3185 4.3122 4.3122 10.0866 10.0866 13.2552 13.2552 14.0352 14.0352 k = 0.4656 0.2688 0.3164 ( 1822 PWs) bands (ev): -49.8102 -49.8102 -21.8692 -21.8692 -21.7014 -21.7014 -21.6623 -21.6623 -0.3030 -0.3030 4.3431 4.3431 9.9363 9.9363 13.1863 13.1863 14.0282 14.0282 k = 0.4625 0.2670 0.3266 ( 1818 PWs) bands (ev): -49.8102 -49.8102 -21.8692 -21.8692 -21.7014 -21.7014 -21.6629 -21.6629 -0.2862 -0.2862 4.3769 4.3769 9.7826 9.7826 13.1158 13.1158 14.0034 14.0034 k = 0.4594 0.2652 0.3368 ( 1818 PWs) bands (ev): -49.8101 -49.8101 -21.8692 -21.8692 -21.7015 -21.7015 -21.6636 -21.6636 -0.2681 -0.2681 4.4135 4.4135 9.6265 9.6265 13.0442 13.0442 13.9624 13.9624 k = 0.4562 0.2634 0.3470 ( 1818 PWs) bands (ev): -49.8101 -49.8101 -21.8692 -21.8692 -21.7016 -21.7016 -21.6643 -21.6643 -0.2487 -0.2487 4.4528 4.4528 9.4687 9.4687 12.9719 12.9719 13.9076 13.9076 k = 0.4531 0.2616 0.3572 ( 1816 PWs) bands (ev): -49.8100 -49.8100 -21.8692 -21.8692 -21.7017 -21.7017 -21.6650 -21.6650 -0.2282 -0.2282 4.4950 4.4950 9.3099 9.3099 12.8994 12.8994 13.8415 13.8415 k = 0.4500 0.2598 0.3674 ( 1808 PWs) bands (ev): -49.8099 -49.8099 -21.8692 -21.8692 -21.7017 -21.7017 -21.6657 -21.6657 -0.2066 -0.2066 4.5399 4.5399 9.1506 9.1506 12.8270 12.8270 13.7667 13.7667 k = 0.4469 0.2580 0.3776 ( 1810 PWs) bands (ev): -49.8099 -49.8099 -21.8693 -21.8693 -21.7018 -21.7018 -21.6664 -21.6664 -0.1838 -0.1838 4.5874 4.5874 8.9914 8.9914 12.7551 12.7551 13.6854 13.6854 k = 0.4437 0.2562 0.3878 ( 1812 PWs) bands (ev): -49.8098 -49.8098 -21.8693 -21.8693 -21.7019 -21.7019 -21.6673 -21.6673 -0.1601 -0.1601 4.6377 4.6377 8.8326 8.8326 12.6839 12.6839 13.5996 13.5996 k = 0.4406 0.2544 0.3980 ( 1812 PWs) bands (ev): -49.8098 -49.8098 -21.8694 -21.8694 -21.7020 -21.7020 -21.6681 -21.6681 -0.1355 -0.1355 4.6904 4.6904 8.6747 8.6747 12.6136 12.6136 13.5109 13.5109 k = 0.4375 0.2526 0.4082 ( 1810 PWs) bands (ev): -49.8097 -49.8097 -21.8694 -21.8694 -21.7021 -21.7021 -21.6689 -21.6689 -0.1101 -0.1101 4.7458 4.7458 8.5181 8.5181 12.5444 12.5444 13.4204 13.4204 k = 0.4344 0.2508 0.4185 ( 1812 PWs) bands (ev): -49.8096 -49.8096 -21.8695 -21.8695 -21.7022 -21.7022 -21.6697 -21.6697 -0.0840 -0.0840 4.8035 4.8035 8.3630 8.3630 12.4764 12.4764 13.3292 13.3292 k = 0.4313 0.2490 0.4287 ( 1810 PWs) bands (ev): -49.8096 -49.8096 -21.8696 -21.8696 -21.7023 -21.7023 -21.6705 -21.6705 -0.0572 -0.0572 4.8637 4.8637 8.2100 8.2100 12.4098 12.4098 13.2381 13.2381 k = 0.4281 0.2472 0.4389 ( 1814 PWs) bands (ev): -49.8095 -49.8095 -21.8697 -21.8697 -21.7024 -21.7024 -21.6714 -21.6714 -0.0299 -0.0299 4.9261 4.9261 8.0592 8.0592 12.3447 12.3447 13.1479 13.1479 k = 0.4250 0.2454 0.4491 ( 1816 PWs) bands (ev): -49.8095 -49.8095 -21.8698 -21.8698 -21.7025 -21.7025 -21.6722 -21.6722 -0.0023 -0.0023 4.9906 4.9906 7.9112 7.9112 12.2813 12.2813 13.0589 13.0589 k = 0.4219 0.2436 0.4593 ( 1818 PWs) bands (ev): -49.8094 -49.8094 -21.8700 -21.8700 -21.7027 -21.7027 -21.6730 -21.6730 0.0256 0.0256 5.0571 5.0571 7.7663 7.7663 12.2195 12.2195 12.9717 12.9717 k = 0.4188 0.2418 0.4695 ( 1818 PWs) bands (ev): -49.8093 -49.8093 -21.8701 -21.8701 -21.7027 -21.7027 -21.6737 -21.6737 0.0536 0.0536 5.1253 5.1253 7.6249 7.6249 12.1595 12.1595 12.8867 12.8867 k = 0.4156 0.2400 0.4797 ( 1821 PWs) bands (ev): -49.8093 -49.8093 -21.8703 -21.8703 -21.7029 -21.7029 -21.6745 -21.6745 0.0815 0.0815 5.1951 5.1951 7.4875 7.4875 12.1013 12.1013 12.8040 12.8040 k = 0.4125 0.2382 0.4899 ( 1818 PWs) bands (ev): -49.8092 -49.8092 -21.8704 -21.8704 -21.7029 -21.7029 -21.6752 -21.6752 0.1092 0.1092 5.2661 5.2661 7.3547 7.3547 12.0451 12.0451 12.7240 12.7240 k = 0.4094 0.2364 0.5001 ( 1816 PWs) bands (ev): -49.8091 -49.8091 -21.8705 -21.8705 -21.7030 -21.7030 -21.6758 -21.6758 0.1364 0.1364 5.3377 5.3377 7.2273 7.2273 11.9908 11.9908 12.6469 12.6469 k = 0.4062 0.2345 0.5103 ( 1815 PWs) bands (ev): -49.8091 -49.8091 -21.8706 -21.8706 -21.7031 -21.7031 -21.6765 -21.6765 0.1630 0.1630 5.4095 5.4095 7.1060 7.1060 11.9385 11.9385 12.5728 12.5728 k = 0.4031 0.2327 0.5205 ( 1816 PWs) bands (ev): -49.8090 -49.8090 -21.8708 -21.8708 -21.7031 -21.7031 -21.6771 -21.6771 0.1887 0.1887 5.4805 5.4805 6.9921 6.9921 11.8882 11.8882 12.5020 12.5020 k = 0.4000 0.2309 0.5307 ( 1814 PWs) bands (ev): -49.8090 -49.8090 -21.8709 -21.8709 -21.7032 -21.7032 -21.6776 -21.6776 0.2133 0.2133 5.5493 5.5493 6.8871 6.8871 11.8400 11.8400 12.4344 12.4344 k = 0.3969 0.2291 0.5409 ( 1815 PWs) bands (ev): -49.8089 -49.8089 -21.8711 -21.8711 -21.7033 -21.7033 -21.6781 -21.6781 0.2365 0.2365 5.6141 5.6141 6.7931 6.7931 11.7940 11.7940 12.3703 12.3703 k = 0.3937 0.2273 0.5511 ( 1809 PWs) bands (ev): -49.8089 -49.8089 -21.8712 -21.8712 -21.7033 -21.7033 -21.6785 -21.6785 0.2582 0.2582 5.6723 5.6723 6.7132 6.7132 11.7500 11.7500 12.3098 12.3098 k = 0.3906 0.2255 0.5613 ( 1809 PWs) bands (ev): -49.8088 -49.8088 -21.8713 -21.8713 -21.7034 -21.7034 -21.6789 -21.6789 0.2780 0.2780 5.7200 5.7200 6.6513 6.6513 11.7082 11.7082 12.2528 12.2528 k = 0.3875 0.2237 0.5715 ( 1809 PWs) bands (ev): -49.8088 -49.8088 -21.8715 -21.8715 -21.7035 -21.7035 -21.6792 -21.6792 0.2956 0.2956 5.7530 5.7530 6.6119 6.6119 11.6686 11.6686 12.1996 12.1996 k = 0.3844 0.2219 0.5818 ( 1813 PWs) bands (ev): -49.8088 -49.8088 -21.8716 -21.8716 -21.7036 -21.7036 -21.6795 -21.6795 0.3107 0.3107 5.7679 5.7679 6.5989 6.5989 11.6312 11.6312 12.1502 12.1502 k = 0.3812 0.2201 0.5920 ( 1810 PWs) bands (ev): -49.8087 -49.8087 -21.8717 -21.8717 -21.7036 -21.7036 -21.6797 -21.6797 0.3232 0.3232 5.7639 5.7639 6.6131 6.6131 11.5960 11.5960 12.1046 12.1046 k = 0.3781 0.2183 0.6022 ( 1812 PWs) bands (ev): -49.8087 -49.8087 -21.8719 -21.8719 -21.7037 -21.7037 -21.6799 -21.6799 0.3326 0.3326 5.7440 5.7440 6.6520 6.6520 11.5630 11.5630 12.0629 12.0629 k = 0.3750 0.2165 0.6124 ( 1822 PWs) bands (ev): -49.8087 -49.8087 -21.8720 -21.8720 -21.7038 -21.7038 -21.6801 -21.6801 0.3387 0.3387 5.7132 5.7132 6.7107 6.7107 11.5323 11.5323 12.0251 12.0251 k = 0.6250-0.0722 0.4082 ( 1822 PWs) bands (ev): -49.8087 -49.8087 -21.8720 -21.8720 -21.7038 -21.7038 -21.6801 -21.6801 0.3387 0.3387 5.7132 5.7132 6.7107 6.7107 11.5323 11.5323 12.0251 12.0251 k = 0.6196-0.0816 0.4082 ( 1810 PWs) bands (ev): -49.8087 -49.8087 -21.8721 -21.8721 -21.7038 -21.7038 -21.6801 -21.6801 0.3451 0.3451 5.6546 5.6546 6.8307 6.8307 11.4820 11.4820 11.9639 11.9639 k = 0.6141-0.0910 0.4082 ( 1810 PWs) bands (ev): -49.8087 -49.8087 -21.8722 -21.8722 -21.7038 -21.7038 -21.6802 -21.6802 0.3492 0.3492 5.5987 5.5987 6.9577 6.9577 11.4339 11.4339 11.9048 11.9048 k = 0.6087-0.1004 0.4082 ( 1816 PWs) bands (ev): -49.8087 -49.8087 -21.8724 -21.8724 -21.7040 -21.7040 -21.6802 -21.6802 0.3514 0.3514 5.5455 5.5455 7.0915 7.0915 11.3880 11.3880 11.8478 11.8478 k = 0.6033-0.1098 0.4082 ( 1816 PWs) bands (ev): -49.8086 -49.8086 -21.8725 -21.8725 -21.7041 -21.7041 -21.6802 -21.6802 0.3518 0.3518 5.4948 5.4948 7.2317 7.2317 11.3444 11.3444 11.7930 11.7930 k = 0.5978-0.1192 0.4082 ( 1816 PWs) bands (ev): -49.8086 -49.8086 -21.8726 -21.8726 -21.7041 -21.7041 -21.6802 -21.6802 0.3507 0.3507 5.4468 5.4468 7.3780 7.3780 11.3030 11.3030 11.7405 11.7405 k = 0.5924-0.1286 0.4082 ( 1816 PWs) bands (ev): -49.8086 -49.8086 -21.8728 -21.8728 -21.7042 -21.7042 -21.6801 -21.6801 0.3483 0.3483 5.4014 5.4014 7.5302 7.5302 11.2639 11.2639 11.6901 11.6901 k = 0.5870-0.1381 0.4082 ( 1812 PWs) bands (ev): -49.8086 -49.8086 -21.8728 -21.8728 -21.7043 -21.7043 -21.6799 -21.6799 0.3450 0.3450 5.3587 5.3587 7.6879 7.6879 11.2270 11.2270 11.6421 11.6421 k = 0.5815-0.1475 0.4082 ( 1804 PWs) bands (ev): -49.8086 -49.8086 -21.8729 -21.8729 -21.7044 -21.7044 -21.6797 -21.6797 0.3408 0.3408 5.3185 5.3185 7.8509 7.8509 11.1924 11.1924 11.5963 11.5963 k = 0.5761-0.1569 0.4082 ( 1804 PWs) bands (ev): -49.8086 -49.8086 -21.8730 -21.8730 -21.7045 -21.7045 -21.6795 -21.6795 0.3359 0.3359 5.2810 5.2810 8.0188 8.0188 11.1600 11.1600 11.5527 11.5527 k = 0.5707-0.1663 0.4082 ( 1802 PWs) bands (ev): -49.8085 -49.8085 -21.8731 -21.8731 -21.7046 -21.7046 -21.6792 -21.6792 0.3306 0.3306 5.2460 5.2460 8.1913 8.1913 11.1298 11.1298 11.5113 11.5113 k = 0.5652-0.1757 0.4082 ( 1802 PWs) bands (ev): -49.8085 -49.8085 -21.8732 -21.8732 -21.7047 -21.7047 -21.6790 -21.6790 0.3251 0.3251 5.2137 5.2137 8.3681 8.3681 11.1019 11.1019 11.4720 11.4720 k = 0.5598-0.1851 0.4082 ( 1802 PWs) bands (ev): -49.8085 -49.8085 -21.8732 -21.8732 -21.7048 -21.7048 -21.6788 -21.6788 0.3194 0.3194 5.1839 5.1839 8.5488 8.5488 11.0762 11.0762 11.4345 11.4345 k = 0.5543-0.1945 0.4082 ( 1806 PWs) bands (ev): -49.8085 -49.8085 -21.8733 -21.8733 -21.7050 -21.7050 -21.6786 -21.6786 0.3138 0.3138 5.1568 5.1568 8.7330 8.7330 11.0527 11.0527 11.3986 11.3986 k = 0.5489-0.2040 0.4082 ( 1798 PWs) bands (ev): -49.8085 -49.8085 -21.8734 -21.8734 -21.7050 -21.7050 -21.6783 -21.6783 0.3084 0.3084 5.1322 5.1322 8.9202 8.9202 11.0315 11.0315 11.3639 11.3639 k = 0.5435-0.2134 0.4082 ( 1798 PWs) bands (ev): -49.8085 -49.8085 -21.8734 -21.8734 -21.7051 -21.7051 -21.6781 -21.6781 0.3032 0.3032 5.1102 5.1102 9.1098 9.1098 11.0125 11.0125 11.3297 11.3297 k = 0.5380-0.2228 0.4082 ( 1794 PWs) bands (ev): -49.8085 -49.8085 -21.8734 -21.8734 -21.7052 -21.7052 -21.6779 -21.6779 0.2984 0.2984 5.0909 5.0909 9.3010 9.3010 10.9958 10.9958 11.2951 11.2951 k = 0.5326-0.2322 0.4082 ( 1794 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7053 -21.7053 -21.6777 -21.6777 0.2940 0.2940 5.0741 5.0741 9.4928 9.4928 10.9813 10.9813 11.2584 11.2584 k = 0.5272-0.2416 0.4082 ( 1790 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7053 -21.7053 -21.6775 -21.6775 0.2902 0.2902 5.0599 5.0599 9.6834 9.6834 10.9690 10.9690 11.2174 11.2174 k = 0.5217-0.2510 0.4082 ( 1784 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7054 -21.7054 -21.6773 -21.6773 0.2870 0.2870 5.0482 5.0482 9.8704 9.8704 10.9589 10.9589 11.1691 11.1691 k = 0.5163-0.2604 0.4082 ( 1780 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7054 -21.7054 -21.6772 -21.6772 0.2845 0.2845 5.0392 5.0392 10.0493 10.0493 10.9511 10.9511 11.1102 11.1102 k = 0.5109-0.2698 0.4082 ( 1776 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7054 -21.7054 -21.6770 -21.6770 0.2826 0.2826 5.0328 5.0328 10.2113 10.2113 10.9454 10.9454 11.0410 11.0410 k = 0.5054-0.2793 0.4082 ( 1772 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7054 -21.7054 -21.6769 -21.6769 0.2815 0.2815 5.0289 5.0289 10.3372 10.3372 10.9414 10.9414 10.9739 10.9739 k = 0.5000-0.2887 0.4082 ( 1772 PWs) bands (ev): -49.8085 -49.8085 -21.8735 -21.8735 -21.7054 -21.7054 -21.6769 -21.6769 0.2811 0.2811 5.0276 5.0276 10.3888 10.3888 10.9357 10.9357 10.9466 10.9466 Writing output data file NaH.save init_run : 0.04s CPU 0.15s WALL ( 1 calls) electrons : 23.74s CPU 24.52s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 23.74s CPU 24.51s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 428 calls) cegterg : 21.13s CPU 21.64s WALL ( 434 calls) Called by sum_band: Called by *egterg: h_psi : 10.86s CPU 11.20s WALL ( 5568 calls) s_psi : 0.10s CPU 0.08s WALL ( 5568 calls) g_psi : 0.04s CPU 0.03s WALL ( 4706 calls) cdiaghg : 10.00s CPU 10.31s WALL ( 5134 calls) cegterg:over : 0.63s CPU 0.64s WALL ( 4706 calls) cegterg:upda : 0.50s CPU 0.53s WALL ( 4706 calls) cegterg:last : 0.28s CPU 0.24s WALL ( 941 calls) cdiaghg:chol : 0.49s CPU 0.56s WALL ( 5134 calls) cdiaghg:inve : 0.09s CPU 0.12s WALL ( 5134 calls) cdiaghg:para : 0.70s CPU 0.76s WALL ( 10268 calls) Called by h_psi: h_psi:vloc : 10.51s CPU 10.84s WALL ( 5568 calls) h_psi:vnl : 0.34s CPU 0.34s WALL ( 5568 calls) add_vuspsi : 0.12s CPU 0.10s WALL ( 5568 calls) General routines calbec : 0.20s CPU 0.23s WALL ( 5568 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 9.82s CPU 10.15s WALL ( 237428 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.07s WALL ( 856 calls) Parallel routines fft_scatter : 4.83s CPU 4.98s WALL ( 237451 calls) PWSCF : 29.62s CPU 43.84s WALL This run was terminated on: 19:55:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=