Program PWSCF v.5.1.1 starts on 27Aug2015 at 8:30:48 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BeS.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 17 5 1257 308 50 Max 43 18 6 1260 330 53 Sum 2053 817 241 60375 15185 2445 bravais-lattice index = 14 lattice parameter (alat) = 6.4340 a.u. unit-cell volume = 188.3326 (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 = 71.0000 Ry charge density cutoff = 711.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.433986 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 S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Be read from file: /home/autes/Pseudo/Be.rel-pbe-sl-rrkjus_psl.1.0.0.UPF MD5 check sum: 3d54b317f5f631cde3ecbcbec2334fee Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 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 S 6.00 32.06500 S( 1.00) Be 4.00 9.01220 Be( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 435 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022989 k( 2) = ( 0.0075758 -0.0043739 0.0061856), wk = 0.0022989 k( 3) = ( 0.0151515 -0.0087477 0.0123712), wk = 0.0022989 k( 4) = ( 0.0227273 -0.0131216 0.0185567), wk = 0.0022989 k( 5) = ( 0.0303030 -0.0174955 0.0247423), wk = 0.0022989 k( 6) = ( 0.0378788 -0.0218693 0.0309279), wk = 0.0022989 k( 7) = ( 0.0454546 -0.0262432 0.0371135), wk = 0.0022989 k( 8) = ( 0.0530303 -0.0306171 0.0432991), wk = 0.0022989 k( 9) = ( 0.0606061 -0.0349909 0.0494846), wk = 0.0022989 k( 10) = ( 0.0681818 -0.0393648 0.0556702), wk = 0.0022989 k( 11) = ( 0.0757576 -0.0437387 0.0618558), wk = 0.0022989 k( 12) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0022989 k( 13) = ( 0.0909091 -0.0524864 0.0742270), wk = 0.0022989 k( 14) = ( 0.0984848 -0.0568603 0.0804125), wk = 0.0022989 k( 15) = ( 0.1060606 -0.0612341 0.0865981), wk = 0.0022989 k( 16) = ( 0.1136364 -0.0656080 0.0927837), wk = 0.0022989 k( 17) = ( 0.1212121 -0.0699819 0.0989693), wk = 0.0022989 k( 18) = ( 0.1287879 -0.0743557 0.1051549), wk = 0.0022989 k( 19) = ( 0.1363636 -0.0787296 0.1113404), wk = 0.0022989 k( 20) = ( 0.1439394 -0.0831034 0.1175260), wk = 0.0022989 k( 21) = ( 0.1515151 -0.0874773 0.1237116), wk = 0.0022989 k( 22) = ( 0.1590909 -0.0918512 0.1298972), wk = 0.0022989 k( 23) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0022989 k( 24) = ( 0.1742424 -0.1005989 0.1422683), wk = 0.0022989 k( 25) = ( 0.1818182 -0.1049728 0.1484539), wk = 0.0022989 k( 26) = ( 0.1893939 -0.1093466 0.1546395), wk = 0.0022989 k( 27) = ( 0.1969697 -0.1137205 0.1608251), wk = 0.0022989 k( 28) = ( 0.2045454 -0.1180944 0.1670107), wk = 0.0022989 k( 29) = ( 0.2121212 -0.1224682 0.1731962), wk = 0.0022989 k( 30) = ( 0.2196970 -0.1268421 0.1793818), wk = 0.0022989 k( 31) = ( 0.2272727 -0.1312160 0.1855674), wk = 0.0022989 k( 32) = ( 0.2348485 -0.1355898 0.1917530), wk = 0.0022989 k( 33) = ( 0.2424242 -0.1399637 0.1979386), wk = 0.0022989 k( 34) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0022989 k( 35) = ( 0.2575758 -0.1487114 0.2103097), wk = 0.0022989 k( 36) = ( 0.2651515 -0.1530853 0.2164953), wk = 0.0022989 k( 37) = ( 0.2727273 -0.1574592 0.2226809), wk = 0.0022989 k( 38) = ( 0.2803030 -0.1618330 0.2288665), wk = 0.0022989 k( 39) = ( 0.2878788 -0.1662069 0.2350520), wk = 0.0022989 k( 40) = ( 0.2954545 -0.1705808 0.2412376), wk = 0.0022989 k( 41) = ( 0.3030303 -0.1749546 0.2474232), wk = 0.0022989 k( 42) = ( 0.3106061 -0.1793285 0.2536088), wk = 0.0022989 k( 43) = ( 0.3181818 -0.1837024 0.2597944), wk = 0.0022989 k( 44) = ( 0.3257576 -0.1880762 0.2659800), wk = 0.0022989 k( 45) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0022989 k( 46) = ( 0.3409091 -0.1968240 0.2783511), wk = 0.0022989 k( 47) = ( 0.3484849 -0.2011978 0.2845367), wk = 0.0022989 k( 48) = ( 0.3560606 -0.2055717 0.2907223), wk = 0.0022989 k( 49) = ( 0.3636364 -0.2099456 0.2969078), wk = 0.0022989 k( 50) = ( 0.3712121 -0.2143194 0.3030934), wk = 0.0022989 k( 51) = ( 0.3787879 -0.2186933 0.3092790), wk = 0.0022989 k( 52) = ( 0.3863636 -0.2230672 0.3154646), wk = 0.0022989 k( 53) = ( 0.3939394 -0.2274410 0.3216502), wk = 0.0022989 k( 54) = ( 0.4015151 -0.2318149 0.3278357), wk = 0.0022989 k( 55) = ( 0.4090909 -0.2361887 0.3340213), wk = 0.0022989 k( 56) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0022989 k( 57) = ( 0.4242424 -0.2449365 0.3463925), wk = 0.0022989 k( 58) = ( 0.4318182 -0.2493103 0.3525781), wk = 0.0022989 k( 59) = ( 0.4393939 -0.2536842 0.3587636), wk = 0.0022989 k( 60) = ( 0.4469697 -0.2580581 0.3649492), wk = 0.0022989 k( 61) = ( 0.4545455 -0.2624319 0.3711348), wk = 0.0022989 k( 62) = ( 0.4621212 -0.2668058 0.3773204), wk = 0.0022989 k( 63) = ( 0.4696970 -0.2711797 0.3835060), wk = 0.0022989 k( 64) = ( 0.4772727 -0.2755535 0.3896916), wk = 0.0022989 k( 65) = ( 0.4848485 -0.2799274 0.3958771), wk = 0.0022989 k( 66) = ( 0.4924242 -0.2843013 0.4020627), wk = 0.0022989 k( 67) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022989 k( 68) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022989 k( 69) = ( 0.5000000 -0.2799274 0.4144339), wk = 0.0022989 k( 70) = ( 0.5000000 -0.2711797 0.4206195), wk = 0.0022989 k( 71) = ( 0.5000000 -0.2624319 0.4268050), wk = 0.0022989 k( 72) = ( 0.5000000 -0.2536842 0.4329906), wk = 0.0022989 k( 73) = ( 0.5000000 -0.2449365 0.4391762), wk = 0.0022989 k( 74) = ( 0.5000000 -0.2361887 0.4453618), wk = 0.0022989 k( 75) = ( 0.5000000 -0.2274410 0.4515473), wk = 0.0022989 k( 76) = ( 0.5000000 -0.2186933 0.4577329), wk = 0.0022989 k( 77) = ( 0.5000000 -0.2099456 0.4639185), wk = 0.0022989 k( 78) = ( 0.5000000 -0.2011978 0.4701041), wk = 0.0022989 k( 79) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0022989 k( 80) = ( 0.5000000 -0.1837024 0.4824753), wk = 0.0022989 k( 81) = ( 0.5000000 -0.1749546 0.4886608), wk = 0.0022989 k( 82) = ( 0.5000000 -0.1662069 0.4948464), wk = 0.0022989 k( 83) = ( 0.5000000 -0.1574592 0.5010320), wk = 0.0022989 k( 84) = ( 0.5000000 -0.1487114 0.5072176), wk = 0.0022989 k( 85) = ( 0.5000000 -0.1399637 0.5134032), wk = 0.0022989 k( 86) = ( 0.5000000 -0.1312160 0.5195887), wk = 0.0022989 k( 87) = ( 0.5000000 -0.1224682 0.5257743), wk = 0.0022989 k( 88) = ( 0.5000000 -0.1137205 0.5319599), wk = 0.0022989 k( 89) = ( 0.5000000 -0.1049728 0.5381455), wk = 0.0022989 k( 90) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0022989 k( 91) = ( 0.5000000 -0.0874773 0.5505166), wk = 0.0022989 k( 92) = ( 0.5000000 -0.0787296 0.5567022), wk = 0.0022989 k( 93) = ( 0.5000000 -0.0699819 0.5628878), wk = 0.0022989 k( 94) = ( 0.5000000 -0.0612341 0.5690734), wk = 0.0022989 k( 95) = ( 0.5000000 -0.0524864 0.5752590), wk = 0.0022989 k( 96) = ( 0.5000000 -0.0437387 0.5814445), wk = 0.0022989 k( 97) = ( 0.5000000 -0.0349909 0.5876301), wk = 0.0022989 k( 98) = ( 0.5000000 -0.0262432 0.5938157), wk = 0.0022989 k( 99) = ( 0.5000000 -0.0174955 0.6000013), wk = 0.0022989 k( 100) = ( 0.5000000 -0.0087477 0.6061869), wk = 0.0022989 k( 101) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022989 k( 102) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022989 k( 103) = ( 0.4947917 0.0090211 0.6123724), wk = 0.0022989 k( 104) = ( 0.4895833 0.0180422 0.6123724), wk = 0.0022989 k( 105) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0022989 k( 106) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0022989 k( 107) = ( 0.4739583 0.0451055 0.6123724), wk = 0.0022989 k( 108) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0022989 k( 109) = ( 0.4635417 0.0631477 0.6123724), wk = 0.0022989 k( 110) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0022989 k( 111) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0022989 k( 112) = ( 0.4479167 0.0902110 0.6123724), wk = 0.0022989 k( 113) = ( 0.4427083 0.0992321 0.6123724), wk = 0.0022989 k( 114) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0022989 k( 115) = ( 0.4322917 0.1172743 0.6123724), wk = 0.0022989 k( 116) = ( 0.4270833 0.1262954 0.6123724), wk = 0.0022989 k( 117) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0022989 k( 118) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0022989 k( 119) = ( 0.4114583 0.1533587 0.6123724), wk = 0.0022989 k( 120) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0022989 k( 121) = ( 0.4010417 0.1714009 0.6123724), wk = 0.0022989 k( 122) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0022989 k( 123) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0022989 k( 124) = ( 0.3854167 0.1984641 0.6123724), wk = 0.0022989 k( 125) = ( 0.3802083 0.2074853 0.6123724), wk = 0.0022989 k( 126) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022989 k( 127) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022989 k( 128) = ( 0.3696429 0.2134134 0.6036243), wk = 0.0022989 k( 129) = ( 0.3642857 0.2103205 0.5948761), wk = 0.0022989 k( 130) = ( 0.3589286 0.2072275 0.5861279), wk = 0.0022989 k( 131) = ( 0.3535714 0.2041346 0.5773797), wk = 0.0022989 k( 132) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0022989 k( 133) = ( 0.3428571 0.1979487 0.5598834), wk = 0.0022989 k( 134) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0022989 k( 135) = ( 0.3321429 0.1917628 0.5423870), wk = 0.0022989 k( 136) = ( 0.3267857 0.1886698 0.5336388), wk = 0.0022989 k( 137) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0022989 k( 138) = ( 0.3160714 0.1824839 0.5161425), wk = 0.0022989 k( 139) = ( 0.3107143 0.1793910 0.5073943), wk = 0.0022989 k( 140) = ( 0.3053571 0.1762980 0.4986461), wk = 0.0022989 k( 141) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0022989 k( 142) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0022989 k( 143) = ( 0.2892857 0.1670192 0.4724016), wk = 0.0022989 k( 144) = ( 0.2839286 0.1639262 0.4636534), wk = 0.0022989 k( 145) = ( 0.2785714 0.1608333 0.4549052), wk = 0.0022989 k( 146) = ( 0.2732143 0.1577403 0.4461571), wk = 0.0022989 k( 147) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0022989 k( 148) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0022989 k( 149) = ( 0.2571429 0.1484615 0.4199125), wk = 0.0022989 k( 150) = ( 0.2517857 0.1453685 0.4111644), wk = 0.0022989 k( 151) = ( 0.2464286 0.1422756 0.4024162), wk = 0.0022989 k( 152) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0022989 k( 153) = ( 0.2357143 0.1360897 0.3849198), wk = 0.0022989 k( 154) = ( 0.2303571 0.1329968 0.3761716), wk = 0.0022989 k( 155) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0022989 k( 156) = ( 0.2196429 0.1268109 0.3586753), wk = 0.0022989 k( 157) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0022989 k( 158) = ( 0.2089286 0.1206250 0.3411789), wk = 0.0022989 k( 159) = ( 0.2035714 0.1175320 0.3324308), wk = 0.0022989 k( 160) = ( 0.1982143 0.1144391 0.3236826), wk = 0.0022989 k( 161) = ( 0.1928571 0.1113461 0.3149344), wk = 0.0022989 k( 162) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0022989 k( 163) = ( 0.1821429 0.1051602 0.2974380), wk = 0.0022989 k( 164) = ( 0.1767857 0.1020673 0.2886899), wk = 0.0022989 k( 165) = ( 0.1714286 0.0989743 0.2799417), wk = 0.0022989 k( 166) = ( 0.1660714 0.0958814 0.2711935), wk = 0.0022989 k( 167) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0022989 k( 168) = ( 0.1553571 0.0896955 0.2536972), wk = 0.0022989 k( 169) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0022989 k( 170) = ( 0.1446429 0.0835096 0.2362008), wk = 0.0022989 k( 171) = ( 0.1392857 0.0804166 0.2274526), wk = 0.0022989 k( 172) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0022989 k( 173) = ( 0.1285714 0.0742307 0.2099563), wk = 0.0022989 k( 174) = ( 0.1232143 0.0711378 0.2012081), wk = 0.0022989 k( 175) = ( 0.1178571 0.0680449 0.1924599), wk = 0.0022989 k( 176) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0022989 k( 177) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0022989 k( 178) = ( 0.1017857 0.0587660 0.1662154), wk = 0.0022989 k( 179) = ( 0.0964286 0.0556731 0.1574672), wk = 0.0022989 k( 180) = ( 0.0910714 0.0525801 0.1487190), wk = 0.0022989 k( 181) = ( 0.0857143 0.0494872 0.1399708), wk = 0.0022989 k( 182) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0022989 k( 183) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0022989 k( 184) = ( 0.0696429 0.0402083 0.1137263), wk = 0.0022989 k( 185) = ( 0.0642857 0.0371154 0.1049781), wk = 0.0022989 k( 186) = ( 0.0589286 0.0340224 0.0962300), wk = 0.0022989 k( 187) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0022989 k( 188) = ( 0.0482143 0.0278365 0.0787336), wk = 0.0022989 k( 189) = ( 0.0428571 0.0247436 0.0699854), wk = 0.0022989 k( 190) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0022989 k( 191) = ( 0.0321429 0.0185577 0.0524891), wk = 0.0022989 k( 192) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0022989 k( 193) = ( 0.0214286 0.0123718 0.0349927), wk = 0.0022989 k( 194) = ( 0.0160714 0.0092788 0.0262445), wk = 0.0022989 k( 195) = ( 0.0107143 0.0061859 0.0174964), wk = 0.0022989 k( 196) = ( 0.0053571 0.0030929 0.0087482), wk = 0.0022989 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022989 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022989 k( 199) = ( 0.0087719 0.0050645 0.0035811), wk = 0.0022989 k( 200) = ( 0.0175439 0.0101290 0.0071623), wk = 0.0022989 k( 201) = ( 0.0263158 0.0151934 0.0107434), wk = 0.0022989 k( 202) = ( 0.0350877 0.0202579 0.0143245), wk = 0.0022989 k( 203) = ( 0.0438597 0.0253224 0.0179056), wk = 0.0022989 k( 204) = ( 0.0526316 0.0303869 0.0214868), wk = 0.0022989 k( 205) = ( 0.0614035 0.0354513 0.0250679), wk = 0.0022989 k( 206) = ( 0.0701754 0.0405158 0.0286490), wk = 0.0022989 k( 207) = ( 0.0789474 0.0455803 0.0322301), wk = 0.0022989 k( 208) = ( 0.0877193 0.0506448 0.0358113), wk = 0.0022989 k( 209) = ( 0.0964912 0.0557092 0.0393924), wk = 0.0022989 k( 210) = ( 0.1052632 0.0607737 0.0429735), wk = 0.0022989 k( 211) = ( 0.1140351 0.0658382 0.0465546), wk = 0.0022989 k( 212) = ( 0.1228070 0.0709027 0.0501358), wk = 0.0022989 k( 213) = ( 0.1315790 0.0759671 0.0537169), wk = 0.0022989 k( 214) = ( 0.1403509 0.0810316 0.0572980), wk = 0.0022989 k( 215) = ( 0.1491228 0.0860961 0.0608791), wk = 0.0022989 k( 216) = ( 0.1578947 0.0911606 0.0644603), wk = 0.0022989 k( 217) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0022989 k( 218) = ( 0.1754386 0.1012895 0.0716225), wk = 0.0022989 k( 219) = ( 0.1842105 0.1063540 0.0752036), wk = 0.0022989 k( 220) = ( 0.1929825 0.1114185 0.0787848), wk = 0.0022989 k( 221) = ( 0.2017544 0.1164830 0.0823659), wk = 0.0022989 k( 222) = ( 0.2105263 0.1215474 0.0859470), wk = 0.0022989 k( 223) = ( 0.2192983 0.1266119 0.0895281), wk = 0.0022989 k( 224) = ( 0.2280702 0.1316764 0.0931093), wk = 0.0022989 k( 225) = ( 0.2368421 0.1367409 0.0966904), wk = 0.0022989 k( 226) = ( 0.2456140 0.1418053 0.1002715), wk = 0.0022989 k( 227) = ( 0.2543860 0.1468698 0.1038526), wk = 0.0022989 k( 228) = ( 0.2631579 0.1519343 0.1074338), wk = 0.0022989 k( 229) = ( 0.2719298 0.1569988 0.1110149), wk = 0.0022989 k( 230) = ( 0.2807018 0.1620632 0.1145960), wk = 0.0022989 k( 231) = ( 0.2894737 0.1671277 0.1181771), wk = 0.0022989 k( 232) = ( 0.2982456 0.1721922 0.1217583), wk = 0.0022989 k( 233) = ( 0.3070175 0.1772567 0.1253394), wk = 0.0022989 k( 234) = ( 0.3157895 0.1823211 0.1289205), wk = 0.0022989 k( 235) = ( 0.3245614 0.1873856 0.1325016), wk = 0.0022989 k( 236) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0022989 k( 237) = ( 0.3421053 0.1975146 0.1396639), wk = 0.0022989 k( 238) = ( 0.3508772 0.2025790 0.1432450), wk = 0.0022989 k( 239) = ( 0.3596491 0.2076435 0.1468261), wk = 0.0022989 k( 240) = ( 0.3684211 0.2127080 0.1504073), wk = 0.0022989 k( 241) = ( 0.3771930 0.2177725 0.1539884), wk = 0.0022989 k( 242) = ( 0.3859649 0.2228369 0.1575695), wk = 0.0022989 k( 243) = ( 0.3947368 0.2279014 0.1611506), wk = 0.0022989 k( 244) = ( 0.4035088 0.2329659 0.1647318), wk = 0.0022989 k( 245) = ( 0.4122807 0.2380304 0.1683129), wk = 0.0022989 k( 246) = ( 0.4210526 0.2430948 0.1718940), wk = 0.0022989 k( 247) = ( 0.4298246 0.2481593 0.1754751), wk = 0.0022989 k( 248) = ( 0.4385965 0.2532238 0.1790563), wk = 0.0022989 k( 249) = ( 0.4473684 0.2582883 0.1826374), wk = 0.0022989 k( 250) = ( 0.4561404 0.2633528 0.1862185), wk = 0.0022989 k( 251) = ( 0.4649123 0.2684172 0.1897996), wk = 0.0022989 k( 252) = ( 0.4736842 0.2734817 0.1933808), wk = 0.0022989 k( 253) = ( 0.4824561 0.2785462 0.1969619), wk = 0.0022989 k( 254) = ( 0.4912281 0.2836107 0.2005430), wk = 0.0022989 k( 255) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022989 k( 256) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022989 k( 257) = ( 0.5031250 0.2796540 0.2092272), wk = 0.0022989 k( 258) = ( 0.5062500 0.2706329 0.2143304), wk = 0.0022989 k( 259) = ( 0.5093750 0.2616118 0.2194335), wk = 0.0022989 k( 260) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0022989 k( 261) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0022989 k( 262) = ( 0.5187500 0.2345485 0.2347428), wk = 0.0022989 k( 263) = ( 0.5218750 0.2255274 0.2398459), wk = 0.0022989 k( 264) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0022989 k( 265) = ( 0.5281250 0.2074853 0.2500521), wk = 0.0022989 k( 266) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0022989 k( 267) = ( 0.5343750 0.1894431 0.2602583), wk = 0.0022989 k( 268) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0022989 k( 269) = ( 0.5406250 0.1714009 0.2704645), wk = 0.0022989 k( 270) = ( 0.5437500 0.1623798 0.2755676), wk = 0.0022989 k( 271) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0022989 k( 272) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0022989 k( 273) = ( 0.5531250 0.1353165 0.2908769), wk = 0.0022989 k( 274) = ( 0.5562500 0.1262954 0.2959800), wk = 0.0022989 k( 275) = ( 0.5593750 0.1172743 0.3010831), wk = 0.0022989 k( 276) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0022989 k( 277) = ( 0.5656250 0.0992321 0.3112893), wk = 0.0022989 k( 278) = ( 0.5687500 0.0902110 0.3163924), wk = 0.0022989 k( 279) = ( 0.5718750 0.0811899 0.3214955), wk = 0.0022989 k( 280) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0022989 k( 281) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0022989 k( 282) = ( 0.5812500 0.0541266 0.3368048), wk = 0.0022989 k( 283) = ( 0.5843750 0.0451055 0.3419079), wk = 0.0022989 k( 284) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0022989 k( 285) = ( 0.5906250 0.0270633 0.3521142), wk = 0.0022989 k( 286) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0022989 k( 287) = ( 0.5968750 0.0090211 0.3623204), wk = 0.0022989 k( 288) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0022989 k( 289) = ( 0.6031250 -0.0090211 0.3725266), wk = 0.0022989 k( 290) = ( 0.6062500 -0.0180422 0.3776297), wk = 0.0022989 k( 291) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0022989 k( 292) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0022989 k( 293) = ( 0.6156250 -0.0451055 0.3929390), wk = 0.0022989 k( 294) = ( 0.6187500 -0.0541266 0.3980421), wk = 0.0022989 k( 295) = ( 0.6218750 -0.0631477 0.4031452), wk = 0.0022989 k( 296) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022989 k( 297) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022989 k( 298) = ( 0.6197917 -0.0691618 0.4167535), wk = 0.0022989 k( 299) = ( 0.6145833 -0.0661547 0.4252586), wk = 0.0022989 k( 300) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0022989 k( 301) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0022989 k( 302) = ( 0.5989583 -0.0571336 0.4507742), wk = 0.0022989 k( 303) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0022989 k( 304) = ( 0.5885417 -0.0511196 0.4677845), wk = 0.0022989 k( 305) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0022989 k( 306) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0022989 k( 307) = ( 0.5729167 -0.0420985 0.4933000), wk = 0.0022989 k( 308) = ( 0.5677083 -0.0390914 0.5018052), wk = 0.0022989 k( 309) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0022989 k( 310) = ( 0.5572917 -0.0330774 0.5188155), wk = 0.0022989 k( 311) = ( 0.5520833 -0.0300703 0.5273207), wk = 0.0022989 k( 312) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0022989 k( 313) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0022989 k( 314) = ( 0.5364583 -0.0210492 0.5528362), wk = 0.0022989 k( 315) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0022989 k( 316) = ( 0.5260417 -0.0150352 0.5698466), wk = 0.0022989 k( 317) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0022989 k( 318) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0022989 k( 319) = ( 0.5104167 -0.0060141 0.5953621), wk = 0.0022989 k( 320) = ( 0.5052083 -0.0030070 0.6038673), wk = 0.0022989 k( 321) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022989 k( 322) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022989 k( 323) = ( 0.5000000 0.0061420 0.6036863), wk = 0.0022989 k( 324) = ( 0.5000000 0.0122841 0.5950002), wk = 0.0022989 k( 325) = ( 0.5000000 0.0184261 0.5863140), wk = 0.0022989 k( 326) = ( 0.5000000 0.0245681 0.5776279), wk = 0.0022989 k( 327) = ( 0.5000000 0.0307101 0.5689418), wk = 0.0022989 k( 328) = ( 0.5000000 0.0368521 0.5602556), wk = 0.0022989 k( 329) = ( 0.5000000 0.0429942 0.5515695), wk = 0.0022989 k( 330) = ( 0.5000000 0.0491362 0.5428834), wk = 0.0022989 k( 331) = ( 0.5000000 0.0552782 0.5341972), wk = 0.0022989 k( 332) = ( 0.5000000 0.0614202 0.5255111), wk = 0.0022989 k( 333) = ( 0.5000000 0.0675623 0.5168250), wk = 0.0022989 k( 334) = ( 0.5000000 0.0737043 0.5081388), wk = 0.0022989 k( 335) = ( 0.5000000 0.0798463 0.4994527), wk = 0.0022989 k( 336) = ( 0.5000000 0.0859883 0.4907666), wk = 0.0022989 k( 337) = ( 0.5000000 0.0921304 0.4820804), wk = 0.0022989 k( 338) = ( 0.5000000 0.0982724 0.4733943), wk = 0.0022989 k( 339) = ( 0.5000000 0.1044144 0.4647082), wk = 0.0022989 k( 340) = ( 0.5000000 0.1105564 0.4560220), wk = 0.0022989 k( 341) = ( 0.5000000 0.1166985 0.4473359), wk = 0.0022989 k( 342) = ( 0.5000000 0.1228405 0.4386498), wk = 0.0022989 k( 343) = ( 0.5000000 0.1289825 0.4299636), wk = 0.0022989 k( 344) = ( 0.5000000 0.1351245 0.4212775), wk = 0.0022989 k( 345) = ( 0.5000000 0.1412666 0.4125914), wk = 0.0022989 k( 346) = ( 0.5000000 0.1474086 0.4039052), wk = 0.0022989 k( 347) = ( 0.5000000 0.1535506 0.3952191), wk = 0.0022989 k( 348) = ( 0.5000000 0.1596926 0.3865330), wk = 0.0022989 k( 349) = ( 0.5000000 0.1658347 0.3778468), wk = 0.0022989 k( 350) = ( 0.5000000 0.1719767 0.3691607), wk = 0.0022989 k( 351) = ( 0.5000000 0.1781187 0.3604746), wk = 0.0022989 k( 352) = ( 0.5000000 0.1842607 0.3517884), wk = 0.0022989 k( 353) = ( 0.5000000 0.1904028 0.3431023), wk = 0.0022989 k( 354) = ( 0.5000000 0.1965448 0.3344161), wk = 0.0022989 k( 355) = ( 0.5000000 0.2026868 0.3257300), wk = 0.0022989 k( 356) = ( 0.5000000 0.2088288 0.3170439), wk = 0.0022989 k( 357) = ( 0.5000000 0.2149708 0.3083578), wk = 0.0022989 k( 358) = ( 0.5000000 0.2211129 0.2996716), wk = 0.0022989 k( 359) = ( 0.5000000 0.2272549 0.2909855), wk = 0.0022989 k( 360) = ( 0.5000000 0.2333969 0.2822993), wk = 0.0022989 k( 361) = ( 0.5000000 0.2395389 0.2736132), wk = 0.0022989 k( 362) = ( 0.5000000 0.2456810 0.2649271), wk = 0.0022989 k( 363) = ( 0.5000000 0.2518230 0.2562409), wk = 0.0022989 k( 364) = ( 0.5000000 0.2579650 0.2475548), wk = 0.0022989 k( 365) = ( 0.5000000 0.2641070 0.2388687), wk = 0.0022989 k( 366) = ( 0.5000000 0.2702491 0.2301826), wk = 0.0022989 k( 367) = ( 0.5000000 0.2763911 0.2214964), wk = 0.0022989 k( 368) = ( 0.5000000 0.2825331 0.2128103), wk = 0.0022989 k( 369) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022989 k( 370) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022989 k( 371) = ( 0.4968750 0.2868709 0.2143304), wk = 0.0022989 k( 372) = ( 0.4937500 0.2850667 0.2245366), wk = 0.0022989 k( 373) = ( 0.4906250 0.2832625 0.2347428), wk = 0.0022989 k( 374) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0022989 k( 375) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0022989 k( 376) = ( 0.4812500 0.2778498 0.2653614), wk = 0.0022989 k( 377) = ( 0.4781250 0.2760456 0.2755676), wk = 0.0022989 k( 378) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0022989 k( 379) = ( 0.4718750 0.2724372 0.2959800), wk = 0.0022989 k( 380) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0022989 k( 381) = ( 0.4656250 0.2688287 0.3163924), wk = 0.0022989 k( 382) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0022989 k( 383) = ( 0.4593750 0.2652203 0.3368048), wk = 0.0022989 k( 384) = ( 0.4562500 0.2634161 0.3470110), wk = 0.0022989 k( 385) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0022989 k( 386) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0022989 k( 387) = ( 0.4468750 0.2580034 0.3776297), wk = 0.0022989 k( 388) = ( 0.4437500 0.2561992 0.3878359), wk = 0.0022989 k( 389) = ( 0.4406250 0.2543950 0.3980421), wk = 0.0022989 k( 390) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0022989 k( 391) = ( 0.4343750 0.2507865 0.4184545), wk = 0.0022989 k( 392) = ( 0.4312500 0.2489823 0.4286607), wk = 0.0022989 k( 393) = ( 0.4281250 0.2471781 0.4388669), wk = 0.0022989 k( 394) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0022989 k( 395) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0022989 k( 396) = ( 0.4187500 0.2417654 0.4694855), wk = 0.0022989 k( 397) = ( 0.4156250 0.2399612 0.4796917), wk = 0.0022989 k( 398) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0022989 k( 399) = ( 0.4093750 0.2363528 0.5001042), wk = 0.0022989 k( 400) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0022989 k( 401) = ( 0.4031250 0.2327443 0.5205166), wk = 0.0022989 k( 402) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0022989 k( 403) = ( 0.3968750 0.2291359 0.5409290), wk = 0.0022989 k( 404) = ( 0.3937500 0.2273317 0.5511352), wk = 0.0022989 k( 405) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0022989 k( 406) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0022989 k( 407) = ( 0.3843750 0.2219190 0.5817538), wk = 0.0022989 k( 408) = ( 0.3812500 0.2201148 0.5919600), wk = 0.0022989 k( 409) = ( 0.3781250 0.2183106 0.6021662), wk = 0.0022989 k( 410) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022989 k( 411) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022989 k( 412) = ( 0.6197917 -0.0811899 0.4082483), wk = 0.0022989 k( 413) = ( 0.6145833 -0.0902110 0.4082483), wk = 0.0022989 k( 414) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0022989 k( 415) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0022989 k( 416) = ( 0.5989583 -0.1172743 0.4082483), wk = 0.0022989 k( 417) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0022989 k( 418) = ( 0.5885417 -0.1353165 0.4082483), wk = 0.0022989 k( 419) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0022989 k( 420) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0022989 k( 421) = ( 0.5729167 -0.1623798 0.4082483), wk = 0.0022989 k( 422) = ( 0.5677083 -0.1714009 0.4082483), wk = 0.0022989 k( 423) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0022989 k( 424) = ( 0.5572917 -0.1894431 0.4082483), wk = 0.0022989 k( 425) = ( 0.5520833 -0.1984641 0.4082483), wk = 0.0022989 k( 426) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0022989 k( 427) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0022989 k( 428) = ( 0.5364583 -0.2255274 0.4082483), wk = 0.0022989 k( 429) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0022989 k( 430) = ( 0.5260417 -0.2435697 0.4082483), wk = 0.0022989 k( 431) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0022989 k( 432) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0022989 k( 433) = ( 0.5104167 -0.2706329 0.4082483), wk = 0.0022989 k( 434) = ( 0.5052083 -0.2796540 0.4082483), wk = 0.0022989 k( 435) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022989 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022989 k( 2) = ( 0.0075758 0.0000000 0.0075758), wk = 0.0022989 k( 3) = ( 0.0151515 0.0000000 0.0151515), wk = 0.0022989 k( 4) = ( 0.0227273 0.0000000 0.0227273), wk = 0.0022989 k( 5) = ( 0.0303030 0.0000000 0.0303030), wk = 0.0022989 k( 6) = ( 0.0378788 0.0000000 0.0378788), wk = 0.0022989 k( 7) = ( 0.0454546 0.0000000 0.0454546), wk = 0.0022989 k( 8) = ( 0.0530303 0.0000000 0.0530303), wk = 0.0022989 k( 9) = ( 0.0606061 0.0000000 0.0606061), wk = 0.0022989 k( 10) = ( 0.0681818 0.0000000 0.0681818), wk = 0.0022989 k( 11) = ( 0.0757576 0.0000000 0.0757576), wk = 0.0022989 k( 12) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0022989 k( 13) = ( 0.0909091 0.0000000 0.0909091), wk = 0.0022989 k( 14) = ( 0.0984848 0.0000000 0.0984848), wk = 0.0022989 k( 15) = ( 0.1060606 0.0000000 0.1060606), wk = 0.0022989 k( 16) = ( 0.1136364 0.0000000 0.1136364), wk = 0.0022989 k( 17) = ( 0.1212121 0.0000000 0.1212121), wk = 0.0022989 k( 18) = ( 0.1287879 0.0000000 0.1287879), wk = 0.0022989 k( 19) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0022989 k( 20) = ( 0.1439394 0.0000000 0.1439394), wk = 0.0022989 k( 21) = ( 0.1515151 0.0000000 0.1515151), wk = 0.0022989 k( 22) = ( 0.1590909 0.0000000 0.1590909), wk = 0.0022989 k( 23) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0022989 k( 24) = ( 0.1742424 0.0000000 0.1742424), wk = 0.0022989 k( 25) = ( 0.1818182 0.0000000 0.1818182), wk = 0.0022989 k( 26) = ( 0.1893939 0.0000000 0.1893939), wk = 0.0022989 k( 27) = ( 0.1969697 0.0000000 0.1969697), wk = 0.0022989 k( 28) = ( 0.2045454 0.0000000 0.2045454), wk = 0.0022989 k( 29) = ( 0.2121212 0.0000000 0.2121212), wk = 0.0022989 k( 30) = ( 0.2196970 0.0000000 0.2196970), wk = 0.0022989 k( 31) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0022989 k( 32) = ( 0.2348485 0.0000000 0.2348485), wk = 0.0022989 k( 33) = ( 0.2424242 0.0000000 0.2424242), wk = 0.0022989 k( 34) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0022989 k( 35) = ( 0.2575758 0.0000000 0.2575758), wk = 0.0022989 k( 36) = ( 0.2651515 0.0000000 0.2651515), wk = 0.0022989 k( 37) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0022989 k( 38) = ( 0.2803030 0.0000000 0.2803030), wk = 0.0022989 k( 39) = ( 0.2878788 0.0000000 0.2878788), wk = 0.0022989 k( 40) = ( 0.2954545 0.0000000 0.2954545), wk = 0.0022989 k( 41) = ( 0.3030303 0.0000000 0.3030303), wk = 0.0022989 k( 42) = ( 0.3106061 0.0000000 0.3106061), wk = 0.0022989 k( 43) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0022989 k( 44) = ( 0.3257576 0.0000000 0.3257576), wk = 0.0022989 k( 45) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0022989 k( 46) = ( 0.3409091 0.0000000 0.3409091), wk = 0.0022989 k( 47) = ( 0.3484849 0.0000000 0.3484848), wk = 0.0022989 k( 48) = ( 0.3560606 0.0000000 0.3560606), wk = 0.0022989 k( 49) = ( 0.3636364 0.0000000 0.3636364), wk = 0.0022989 k( 50) = ( 0.3712121 0.0000000 0.3712121), wk = 0.0022989 k( 51) = ( 0.3787879 0.0000000 0.3787879), wk = 0.0022989 k( 52) = ( 0.3863636 0.0000000 0.3863636), wk = 0.0022989 k( 53) = ( 0.3939394 0.0000000 0.3939394), wk = 0.0022989 k( 54) = ( 0.4015151 0.0000000 0.4015151), wk = 0.0022989 k( 55) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0022989 k( 56) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0022989 k( 57) = ( 0.4242424 0.0000000 0.4242424), wk = 0.0022989 k( 58) = ( 0.4318182 0.0000000 0.4318182), wk = 0.0022989 k( 59) = ( 0.4393939 0.0000000 0.4393939), wk = 0.0022989 k( 60) = ( 0.4469697 0.0000000 0.4469697), wk = 0.0022989 k( 61) = ( 0.4545455 0.0000000 0.4545454), wk = 0.0022989 k( 62) = ( 0.4621212 0.0000000 0.4621212), wk = 0.0022989 k( 63) = ( 0.4696970 0.0000000 0.4696970), wk = 0.0022989 k( 64) = ( 0.4772727 0.0000000 0.4772727), wk = 0.0022989 k( 65) = ( 0.4848485 0.0000000 0.4848485), wk = 0.0022989 k( 66) = ( 0.4924242 0.0000000 0.4924242), wk = 0.0022989 k( 67) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022989 k( 68) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022989 k( 69) = ( 0.5000000 0.0075758 0.5075758), wk = 0.0022989 k( 70) = ( 0.5000000 0.0151515 0.5151515), wk = 0.0022989 k( 71) = ( 0.5000000 0.0227273 0.5227273), wk = 0.0022989 k( 72) = ( 0.5000000 0.0303030 0.5303030), wk = 0.0022989 k( 73) = ( 0.5000000 0.0378788 0.5378788), wk = 0.0022989 k( 74) = ( 0.5000000 0.0454546 0.5454545), wk = 0.0022989 k( 75) = ( 0.5000000 0.0530303 0.5530303), wk = 0.0022989 k( 76) = ( 0.5000000 0.0606061 0.5606061), wk = 0.0022989 k( 77) = ( 0.5000000 0.0681818 0.5681818), wk = 0.0022989 k( 78) = ( 0.5000000 0.0757576 0.5757576), wk = 0.0022989 k( 79) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0022989 k( 80) = ( 0.5000000 0.0909091 0.5909091), wk = 0.0022989 k( 81) = ( 0.5000000 0.0984849 0.5984848), wk = 0.0022989 k( 82) = ( 0.5000000 0.1060606 0.6060606), wk = 0.0022989 k( 83) = ( 0.5000000 0.1136364 0.6136364), wk = 0.0022989 k( 84) = ( 0.5000000 0.1212121 0.6212121), wk = 0.0022989 k( 85) = ( 0.5000000 0.1287879 0.6287879), wk = 0.0022989 k( 86) = ( 0.5000000 0.1363636 0.6363636), wk = 0.0022989 k( 87) = ( 0.5000000 0.1439394 0.6439394), wk = 0.0022989 k( 88) = ( 0.5000000 0.1515151 0.6515151), wk = 0.0022989 k( 89) = ( 0.5000000 0.1590909 0.6590909), wk = 0.0022989 k( 90) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0022989 k( 91) = ( 0.5000000 0.1742424 0.6742424), wk = 0.0022989 k( 92) = ( 0.5000000 0.1818182 0.6818182), wk = 0.0022989 k( 93) = ( 0.5000000 0.1893939 0.6893939), wk = 0.0022989 k( 94) = ( 0.5000000 0.1969697 0.6969697), wk = 0.0022989 k( 95) = ( 0.5000000 0.2045455 0.7045455), wk = 0.0022989 k( 96) = ( 0.5000000 0.2121212 0.7121212), wk = 0.0022989 k( 97) = ( 0.5000000 0.2196970 0.7196970), wk = 0.0022989 k( 98) = ( 0.5000000 0.2272727 0.7272727), wk = 0.0022989 k( 99) = ( 0.5000000 0.2348485 0.7348485), wk = 0.0022989 k( 100) = ( 0.5000000 0.2424242 0.7424242), wk = 0.0022989 k( 101) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022989 k( 102) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022989 k( 103) = ( 0.4947917 0.2552083 0.7500000), wk = 0.0022989 k( 104) = ( 0.4895833 0.2604167 0.7500000), wk = 0.0022989 k( 105) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0022989 k( 106) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0022989 k( 107) = ( 0.4739583 0.2760417 0.7500000), wk = 0.0022989 k( 108) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0022989 k( 109) = ( 0.4635417 0.2864583 0.7500000), wk = 0.0022989 k( 110) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0022989 k( 111) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0022989 k( 112) = ( 0.4479167 0.3020833 0.7500000), wk = 0.0022989 k( 113) = ( 0.4427083 0.3072917 0.7500000), wk = 0.0022989 k( 114) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0022989 k( 115) = ( 0.4322917 0.3177083 0.7500000), wk = 0.0022989 k( 116) = ( 0.4270833 0.3229167 0.7500000), wk = 0.0022989 k( 117) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0022989 k( 118) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0022989 k( 119) = ( 0.4114583 0.3385417 0.7500000), wk = 0.0022989 k( 120) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0022989 k( 121) = ( 0.4010417 0.3489583 0.7500000), wk = 0.0022989 k( 122) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0022989 k( 123) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0022989 k( 124) = ( 0.3854167 0.3645833 0.7500000), wk = 0.0022989 k( 125) = ( 0.3802083 0.3697917 0.7500000), wk = 0.0022989 k( 126) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022989 k( 127) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022989 k( 128) = ( 0.3696429 0.3696429 0.7392857), wk = 0.0022989 k( 129) = ( 0.3642857 0.3642857 0.7285714), wk = 0.0022989 k( 130) = ( 0.3589286 0.3589286 0.7178571), wk = 0.0022989 k( 131) = ( 0.3535714 0.3535714 0.7071429), wk = 0.0022989 k( 132) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0022989 k( 133) = ( 0.3428571 0.3428571 0.6857143), wk = 0.0022989 k( 134) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0022989 k( 135) = ( 0.3321429 0.3321429 0.6642857), wk = 0.0022989 k( 136) = ( 0.3267857 0.3267857 0.6535714), wk = 0.0022989 k( 137) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0022989 k( 138) = ( 0.3160714 0.3160714 0.6321429), wk = 0.0022989 k( 139) = ( 0.3107143 0.3107143 0.6214286), wk = 0.0022989 k( 140) = ( 0.3053571 0.3053571 0.6107143), wk = 0.0022989 k( 141) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0022989 k( 142) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0022989 k( 143) = ( 0.2892857 0.2892857 0.5785714), wk = 0.0022989 k( 144) = ( 0.2839286 0.2839286 0.5678571), wk = 0.0022989 k( 145) = ( 0.2785714 0.2785714 0.5571429), wk = 0.0022989 k( 146) = ( 0.2732143 0.2732143 0.5464286), wk = 0.0022989 k( 147) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0022989 k( 148) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0022989 k( 149) = ( 0.2571429 0.2571429 0.5142857), wk = 0.0022989 k( 150) = ( 0.2517857 0.2517857 0.5035714), wk = 0.0022989 k( 151) = ( 0.2464286 0.2464286 0.4928571), wk = 0.0022989 k( 152) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0022989 k( 153) = ( 0.2357143 0.2357143 0.4714286), wk = 0.0022989 k( 154) = ( 0.2303571 0.2303571 0.4607143), wk = 0.0022989 k( 155) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0022989 k( 156) = ( 0.2196429 0.2196429 0.4392857), wk = 0.0022989 k( 157) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0022989 k( 158) = ( 0.2089286 0.2089286 0.4178571), wk = 0.0022989 k( 159) = ( 0.2035714 0.2035714 0.4071429), wk = 0.0022989 k( 160) = ( 0.1982143 0.1982143 0.3964286), wk = 0.0022989 k( 161) = ( 0.1928571 0.1928571 0.3857143), wk = 0.0022989 k( 162) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0022989 k( 163) = ( 0.1821429 0.1821429 0.3642857), wk = 0.0022989 k( 164) = ( 0.1767857 0.1767857 0.3535714), wk = 0.0022989 k( 165) = ( 0.1714286 0.1714286 0.3428571), wk = 0.0022989 k( 166) = ( 0.1660714 0.1660714 0.3321429), wk = 0.0022989 k( 167) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0022989 k( 168) = ( 0.1553571 0.1553571 0.3107143), wk = 0.0022989 k( 169) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0022989 k( 170) = ( 0.1446429 0.1446429 0.2892857), wk = 0.0022989 k( 171) = ( 0.1392857 0.1392857 0.2785714), wk = 0.0022989 k( 172) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0022989 k( 173) = ( 0.1285714 0.1285714 0.2571429), wk = 0.0022989 k( 174) = ( 0.1232143 0.1232143 0.2464286), wk = 0.0022989 k( 175) = ( 0.1178571 0.1178571 0.2357143), wk = 0.0022989 k( 176) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0022989 k( 177) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0022989 k( 178) = ( 0.1017857 0.1017857 0.2035714), wk = 0.0022989 k( 179) = ( 0.0964286 0.0964286 0.1928571), wk = 0.0022989 k( 180) = ( 0.0910714 0.0910714 0.1821429), wk = 0.0022989 k( 181) = ( 0.0857143 0.0857143 0.1714286), wk = 0.0022989 k( 182) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0022989 k( 183) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0022989 k( 184) = ( 0.0696429 0.0696429 0.1392857), wk = 0.0022989 k( 185) = ( 0.0642857 0.0642857 0.1285714), wk = 0.0022989 k( 186) = ( 0.0589286 0.0589286 0.1178571), wk = 0.0022989 k( 187) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0022989 k( 188) = ( 0.0482143 0.0482143 0.0964286), wk = 0.0022989 k( 189) = ( 0.0428571 0.0428571 0.0857143), wk = 0.0022989 k( 190) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0022989 k( 191) = ( 0.0321429 0.0321429 0.0642857), wk = 0.0022989 k( 192) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0022989 k( 193) = ( 0.0214286 0.0214286 0.0428571), wk = 0.0022989 k( 194) = ( 0.0160714 0.0160714 0.0321429), wk = 0.0022989 k( 195) = ( 0.0107143 0.0107143 0.0214286), wk = 0.0022989 k( 196) = ( 0.0053571 0.0053571 0.0107143), wk = 0.0022989 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022989 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022989 k( 199) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0022989 k( 200) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0022989 k( 201) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0022989 k( 202) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0022989 k( 203) = ( 0.0438597 0.0438597 0.0438597), wk = 0.0022989 k( 204) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0022989 k( 205) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0022989 k( 206) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0022989 k( 207) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0022989 k( 208) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0022989 k( 209) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0022989 k( 210) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0022989 k( 211) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0022989 k( 212) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0022989 k( 213) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0022989 k( 214) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0022989 k( 215) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0022989 k( 216) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0022989 k( 217) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0022989 k( 218) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0022989 k( 219) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0022989 k( 220) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0022989 k( 221) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0022989 k( 222) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0022989 k( 223) = ( 0.2192983 0.2192982 0.2192983), wk = 0.0022989 k( 224) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0022989 k( 225) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0022989 k( 226) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0022989 k( 227) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0022989 k( 228) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0022989 k( 229) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0022989 k( 230) = ( 0.2807018 0.2807018 0.2807017), wk = 0.0022989 k( 231) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0022989 k( 232) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0022989 k( 233) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0022989 k( 234) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0022989 k( 235) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0022989 k( 236) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0022989 k( 237) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0022989 k( 238) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0022989 k( 239) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0022989 k( 240) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0022989 k( 241) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0022989 k( 242) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0022989 k( 243) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0022989 k( 244) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0022989 k( 245) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0022989 k( 246) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0022989 k( 247) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0022989 k( 248) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0022989 k( 249) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0022989 k( 250) = ( 0.4561404 0.4561404 0.4561404), wk = 0.0022989 k( 251) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0022989 k( 252) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0022989 k( 253) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0022989 k( 254) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0022989 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022989 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022989 k( 257) = ( 0.5031250 0.4937500 0.5031250), wk = 0.0022989 k( 258) = ( 0.5062500 0.4875000 0.5062500), wk = 0.0022989 k( 259) = ( 0.5093750 0.4812500 0.5093750), wk = 0.0022989 k( 260) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0022989 k( 261) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0022989 k( 262) = ( 0.5187500 0.4625000 0.5187500), wk = 0.0022989 k( 263) = ( 0.5218750 0.4562500 0.5218750), wk = 0.0022989 k( 264) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0022989 k( 265) = ( 0.5281250 0.4437500 0.5281250), wk = 0.0022989 k( 266) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0022989 k( 267) = ( 0.5343750 0.4312500 0.5343750), wk = 0.0022989 k( 268) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0022989 k( 269) = ( 0.5406250 0.4187500 0.5406250), wk = 0.0022989 k( 270) = ( 0.5437500 0.4125000 0.5437500), wk = 0.0022989 k( 271) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0022989 k( 272) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0022989 k( 273) = ( 0.5531250 0.3937500 0.5531250), wk = 0.0022989 k( 274) = ( 0.5562500 0.3875000 0.5562500), wk = 0.0022989 k( 275) = ( 0.5593750 0.3812500 0.5593750), wk = 0.0022989 k( 276) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0022989 k( 277) = ( 0.5656250 0.3687500 0.5656250), wk = 0.0022989 k( 278) = ( 0.5687500 0.3625000 0.5687500), wk = 0.0022989 k( 279) = ( 0.5718750 0.3562500 0.5718750), wk = 0.0022989 k( 280) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0022989 k( 281) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0022989 k( 282) = ( 0.5812500 0.3375000 0.5812500), wk = 0.0022989 k( 283) = ( 0.5843750 0.3312500 0.5843750), wk = 0.0022989 k( 284) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0022989 k( 285) = ( 0.5906250 0.3187500 0.5906250), wk = 0.0022989 k( 286) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0022989 k( 287) = ( 0.5968750 0.3062500 0.5968750), wk = 0.0022989 k( 288) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0022989 k( 289) = ( 0.6031250 0.2937500 0.6031250), wk = 0.0022989 k( 290) = ( 0.6062500 0.2875000 0.6062500), wk = 0.0022989 k( 291) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0022989 k( 292) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0022989 k( 293) = ( 0.6156250 0.2687500 0.6156250), wk = 0.0022989 k( 294) = ( 0.6187500 0.2625000 0.6187500), wk = 0.0022989 k( 295) = ( 0.6218750 0.2562500 0.6218750), wk = 0.0022989 k( 296) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022989 k( 297) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022989 k( 298) = ( 0.6197917 0.2500000 0.6302083), wk = 0.0022989 k( 299) = ( 0.6145833 0.2500000 0.6354167), wk = 0.0022989 k( 300) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0022989 k( 301) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0022989 k( 302) = ( 0.5989583 0.2500000 0.6510417), wk = 0.0022989 k( 303) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0022989 k( 304) = ( 0.5885417 0.2500000 0.6614583), wk = 0.0022989 k( 305) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0022989 k( 306) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0022989 k( 307) = ( 0.5729167 0.2500000 0.6770833), wk = 0.0022989 k( 308) = ( 0.5677083 0.2500000 0.6822917), wk = 0.0022989 k( 309) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0022989 k( 310) = ( 0.5572917 0.2500000 0.6927083), wk = 0.0022989 k( 311) = ( 0.5520833 0.2500000 0.6979167), wk = 0.0022989 k( 312) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0022989 k( 313) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0022989 k( 314) = ( 0.5364583 0.2500000 0.7135417), wk = 0.0022989 k( 315) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0022989 k( 316) = ( 0.5260417 0.2500000 0.7239583), wk = 0.0022989 k( 317) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0022989 k( 318) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0022989 k( 319) = ( 0.5104167 0.2500000 0.7395833), wk = 0.0022989 k( 320) = ( 0.5052083 0.2500000 0.7447917), wk = 0.0022989 k( 321) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022989 k( 322) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022989 k( 323) = ( 0.5000000 0.2553191 0.7446808), wk = 0.0022989 k( 324) = ( 0.5000000 0.2606383 0.7393617), wk = 0.0022989 k( 325) = ( 0.5000000 0.2659575 0.7340425), wk = 0.0022989 k( 326) = ( 0.5000000 0.2712766 0.7287234), wk = 0.0022989 k( 327) = ( 0.5000000 0.2765957 0.7234043), wk = 0.0022989 k( 328) = ( 0.5000000 0.2819149 0.7180851), wk = 0.0022989 k( 329) = ( 0.5000000 0.2872340 0.7127660), wk = 0.0022989 k( 330) = ( 0.5000000 0.2925532 0.7074468), wk = 0.0022989 k( 331) = ( 0.5000000 0.2978723 0.7021277), wk = 0.0022989 k( 332) = ( 0.5000000 0.3031915 0.6968085), wk = 0.0022989 k( 333) = ( 0.5000000 0.3085106 0.6914894), wk = 0.0022989 k( 334) = ( 0.5000000 0.3138298 0.6861702), wk = 0.0022989 k( 335) = ( 0.5000000 0.3191489 0.6808511), wk = 0.0022989 k( 336) = ( 0.5000000 0.3244681 0.6755319), wk = 0.0022989 k( 337) = ( 0.5000000 0.3297872 0.6702128), wk = 0.0022989 k( 338) = ( 0.5000000 0.3351064 0.6648936), wk = 0.0022989 k( 339) = ( 0.5000000 0.3404255 0.6595745), wk = 0.0022989 k( 340) = ( 0.5000000 0.3457447 0.6542553), wk = 0.0022989 k( 341) = ( 0.5000000 0.3510638 0.6489362), wk = 0.0022989 k( 342) = ( 0.5000000 0.3563830 0.6436170), wk = 0.0022989 k( 343) = ( 0.5000000 0.3617021 0.6382979), wk = 0.0022989 k( 344) = ( 0.5000000 0.3670213 0.6329787), wk = 0.0022989 k( 345) = ( 0.5000000 0.3723404 0.6276596), wk = 0.0022989 k( 346) = ( 0.5000000 0.3776596 0.6223404), wk = 0.0022989 k( 347) = ( 0.5000000 0.3829787 0.6170213), wk = 0.0022989 k( 348) = ( 0.5000000 0.3882979 0.6117021), wk = 0.0022989 k( 349) = ( 0.5000000 0.3936170 0.6063830), wk = 0.0022989 k( 350) = ( 0.5000000 0.3989362 0.6010638), wk = 0.0022989 k( 351) = ( 0.5000000 0.4042553 0.5957447), wk = 0.0022989 k( 352) = ( 0.5000000 0.4095745 0.5904255), wk = 0.0022989 k( 353) = ( 0.5000000 0.4148936 0.5851064), wk = 0.0022989 k( 354) = ( 0.5000000 0.4202128 0.5797872), wk = 0.0022989 k( 355) = ( 0.5000000 0.4255319 0.5744681), wk = 0.0022989 k( 356) = ( 0.5000000 0.4308511 0.5691489), wk = 0.0022989 k( 357) = ( 0.5000000 0.4361702 0.5638298), wk = 0.0022989 k( 358) = ( 0.5000000 0.4414894 0.5585106), wk = 0.0022989 k( 359) = ( 0.5000000 0.4468085 0.5531915), wk = 0.0022989 k( 360) = ( 0.5000000 0.4521277 0.5478723), wk = 0.0022989 k( 361) = ( 0.5000000 0.4574468 0.5425532), wk = 0.0022989 k( 362) = ( 0.5000000 0.4627660 0.5372340), wk = 0.0022989 k( 363) = ( 0.5000000 0.4680851 0.5319149), wk = 0.0022989 k( 364) = ( 0.5000000 0.4734043 0.5265957), wk = 0.0022989 k( 365) = ( 0.5000000 0.4787234 0.5212766), wk = 0.0022989 k( 366) = ( 0.5000000 0.4840426 0.5159575), wk = 0.0022989 k( 367) = ( 0.5000000 0.4893617 0.5106383), wk = 0.0022989 k( 368) = ( 0.5000000 0.4946809 0.5053191), wk = 0.0022989 k( 369) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022989 k( 370) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022989 k( 371) = ( 0.4968750 0.4968750 0.5062500), wk = 0.0022989 k( 372) = ( 0.4937500 0.4937500 0.5125000), wk = 0.0022989 k( 373) = ( 0.4906250 0.4906250 0.5187500), wk = 0.0022989 k( 374) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0022989 k( 375) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0022989 k( 376) = ( 0.4812500 0.4812500 0.5375000), wk = 0.0022989 k( 377) = ( 0.4781250 0.4781250 0.5437500), wk = 0.0022989 k( 378) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0022989 k( 379) = ( 0.4718750 0.4718750 0.5562500), wk = 0.0022989 k( 380) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0022989 k( 381) = ( 0.4656250 0.4656250 0.5687500), wk = 0.0022989 k( 382) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0022989 k( 383) = ( 0.4593750 0.4593750 0.5812500), wk = 0.0022989 k( 384) = ( 0.4562500 0.4562500 0.5875000), wk = 0.0022989 k( 385) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0022989 k( 386) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0022989 k( 387) = ( 0.4468750 0.4468750 0.6062500), wk = 0.0022989 k( 388) = ( 0.4437500 0.4437500 0.6125000), wk = 0.0022989 k( 389) = ( 0.4406250 0.4406250 0.6187500), wk = 0.0022989 k( 390) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0022989 k( 391) = ( 0.4343750 0.4343750 0.6312500), wk = 0.0022989 k( 392) = ( 0.4312500 0.4312500 0.6375000), wk = 0.0022989 k( 393) = ( 0.4281250 0.4281250 0.6437500), wk = 0.0022989 k( 394) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0022989 k( 395) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0022989 k( 396) = ( 0.4187500 0.4187500 0.6625000), wk = 0.0022989 k( 397) = ( 0.4156250 0.4156250 0.6687500), wk = 0.0022989 k( 398) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0022989 k( 399) = ( 0.4093750 0.4093750 0.6812500), wk = 0.0022989 k( 400) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0022989 k( 401) = ( 0.4031250 0.4031250 0.6937500), wk = 0.0022989 k( 402) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0022989 k( 403) = ( 0.3968750 0.3968750 0.7062500), wk = 0.0022989 k( 404) = ( 0.3937500 0.3937500 0.7125000), wk = 0.0022989 k( 405) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0022989 k( 406) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0022989 k( 407) = ( 0.3843750 0.3843750 0.7312500), wk = 0.0022989 k( 408) = ( 0.3812500 0.3812500 0.7375000), wk = 0.0022989 k( 409) = ( 0.3781250 0.3781250 0.7437500), wk = 0.0022989 k( 410) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022989 k( 411) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022989 k( 412) = ( 0.6197917 0.2395833 0.6197917), wk = 0.0022989 k( 413) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0022989 k( 414) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0022989 k( 415) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0022989 k( 416) = ( 0.5989583 0.1979167 0.5989583), wk = 0.0022989 k( 417) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0022989 k( 418) = ( 0.5885417 0.1770833 0.5885417), wk = 0.0022989 k( 419) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0022989 k( 420) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0022989 k( 421) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0022989 k( 422) = ( 0.5677083 0.1354167 0.5677083), wk = 0.0022989 k( 423) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0022989 k( 424) = ( 0.5572917 0.1145833 0.5572917), wk = 0.0022989 k( 425) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0022989 k( 426) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0022989 k( 427) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0022989 k( 428) = ( 0.5364583 0.0729167 0.5364583), wk = 0.0022989 k( 429) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0022989 k( 430) = ( 0.5260417 0.0520833 0.5260417), wk = 0.0022989 k( 431) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0022989 k( 432) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0022989 k( 433) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0022989 k( 434) = ( 0.5052083 0.0104167 0.5052083), wk = 0.0022989 k( 435) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022989 Dense grid: 60375 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 15185 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 84, 18) NL pseudopotentials 0.03 Mb ( 42, 48) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1258) G-vector shells 0.00 Mb ( 406) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.09 Mb ( 84, 72) Each subspace H/S matrix 0.08 Mb ( 72, 72) Each matrix 0.03 Mb ( 48, 2, 18) The potential is recalculated from file : ./BeS.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.3 secs Computing kpt #: 2 total cpu time spent up to now is 40.6 secs Computing kpt #: 3 total cpu time spent up to now is 40.8 secs Computing kpt #: 4 total cpu time spent up to now is 40.9 secs Computing kpt #: 5 total cpu time spent up to now is 41.1 secs Computing kpt #: 6 total cpu time spent up to now is 41.3 secs Computing kpt #: 7 total cpu time spent up to now is 41.4 secs Computing kpt #: 8 total cpu time spent up to now is 41.6 secs Computing kpt #: 9 total cpu time spent up to now is 41.8 secs Computing kpt #: 10 total cpu time spent up to now is 41.9 secs Computing kpt #: 11 total cpu time spent up to now is 42.1 secs Computing kpt #: 12 total cpu time spent up to now is 42.3 secs Computing kpt #: 13 total cpu time spent up to now is 42.5 secs Computing kpt #: 14 total cpu time spent up to now is 42.6 secs Computing kpt #: 15 total cpu time spent up to now is 42.8 secs Computing kpt #: 16 total cpu time spent up to now is 43.0 secs Computing kpt #: 17 total cpu time spent up to now is 43.2 secs Computing kpt #: 18 total cpu time spent up to now is 43.4 secs Computing kpt #: 19 total cpu time spent up to now is 43.6 secs Computing kpt #: 20 total cpu time spent up to now is 43.8 secs Computing kpt #: 21 total cpu time spent up to now is 44.0 secs Computing kpt #: 22 total cpu time spent up to now is 44.2 secs Computing kpt #: 23 total cpu time spent up to now is 44.4 secs Computing kpt #: 24 total cpu time spent up to now is 44.6 secs Computing kpt #: 25 total cpu time spent up to now is 44.8 secs Computing kpt #: 26 total cpu time spent up to now is 45.0 secs Computing kpt #: 27 total cpu time spent up to now is 45.2 secs Computing kpt #: 28 total cpu time spent up to now is 45.4 secs Computing kpt #: 29 total cpu time spent up to now is 45.6 secs Computing kpt #: 30 total cpu time spent up to now is 45.8 secs Computing kpt #: 31 total cpu time spent up to now is 46.0 secs Computing kpt #: 32 total cpu time spent up to now is 46.2 secs Computing kpt #: 33 total cpu time spent up to now is 46.4 secs Computing kpt #: 34 total cpu time spent up to now is 46.6 secs Computing kpt #: 35 total cpu time spent up to now is 46.8 secs Computing kpt #: 36 total cpu time spent up to now is 47.0 secs Computing kpt #: 37 total cpu time spent up to now is 47.2 secs Computing kpt #: 38 total cpu time spent up to now is 47.4 secs Computing kpt #: 39 total cpu time spent up to now is 47.6 secs Computing kpt #: 40 total cpu time spent up to now is 47.8 secs Computing kpt #: 41 total cpu time spent up to now is 48.0 secs Computing kpt #: 42 total cpu time spent up to now is 48.1 secs Computing kpt #: 43 total cpu time spent up to now is 48.3 secs Computing kpt #: 44 total cpu time spent up to now is 48.5 secs Computing kpt #: 45 total cpu time spent up to now is 48.7 secs Computing kpt #: 46 total cpu time spent up to now is 48.9 secs Computing kpt #: 47 total cpu time spent up to now is 49.1 secs Computing kpt #: 48 total cpu time spent up to now is 49.3 secs Computing kpt #: 49 total cpu time spent up to now is 49.5 secs Computing kpt #: 50 total cpu time spent up to now is 49.8 secs Computing kpt #: 51 total cpu time spent up to now is 50.0 secs Computing kpt #: 52 total cpu time spent up to now is 50.2 secs Computing kpt #: 53 total cpu time spent up to now is 50.4 secs Computing kpt #: 54 total cpu time spent up to now is 50.7 secs Computing kpt #: 55 total cpu time spent up to now is 50.9 secs Computing kpt #: 56 total cpu time spent up to now is 51.1 secs Computing kpt #: 57 total cpu time spent up to now is 51.4 secs Computing kpt #: 58 total cpu time spent up to now is 51.6 secs Computing kpt #: 59 total cpu time spent up to now is 51.8 secs Computing kpt #: 60 total cpu time spent up to now is 52.1 secs Computing kpt #: 61 total cpu time spent up to now is 52.4 secs Computing kpt #: 62 total cpu time spent up to now is 52.6 secs Computing kpt #: 63 total cpu time spent up to now is 52.9 secs Computing kpt #: 64 total cpu time spent up to now is 53.1 secs Computing kpt #: 65 total cpu time spent up to now is 53.4 secs Computing kpt #: 66 total cpu time spent up to now is 53.6 secs Computing kpt #: 67 total cpu time spent up to now is 53.8 secs Computing kpt #: 68 total cpu time spent up to now is 54.0 secs Computing kpt #: 69 total cpu time spent up to now is 54.2 secs Computing kpt #: 70 total cpu time spent up to now is 54.4 secs Computing kpt #: 71 total cpu time spent up to now is 54.6 secs Computing kpt #: 72 total cpu time spent up to now is 54.8 secs Computing kpt #: 73 total cpu time spent up to now is 55.0 secs Computing kpt #: 74 total cpu time spent up to now is 55.2 secs Computing kpt #: 75 total cpu time spent up to now is 55.4 secs Computing kpt #: 76 total cpu time spent up to now is 55.6 secs Computing kpt #: 77 total cpu time spent up to now is 55.9 secs Computing kpt #: 78 total cpu time spent up to now is 56.1 secs Computing kpt #: 79 total cpu time spent up to now is 56.3 secs Computing kpt #: 80 total cpu time spent up to now is 56.5 secs Computing kpt #: 81 total cpu time spent up to now is 56.8 secs Computing kpt #: 82 total cpu time spent up to now is 57.0 secs Computing kpt #: 83 total cpu time spent up to now is 57.2 secs Computing kpt #: 84 total cpu time spent up to now is 57.5 secs Computing kpt #: 85 total cpu time spent up to now is 57.8 secs Computing kpt #: 86 total cpu time spent up to now is 58.0 secs Computing kpt #: 87 total cpu time spent up to now is 58.3 secs Computing kpt #: 88 total cpu time spent up to now is 58.5 secs Computing kpt #: 89 total cpu time spent up to now is 58.7 secs Computing kpt #: 90 total cpu time spent up to now is 58.9 secs Computing kpt #: 91 total cpu time spent up to now is 59.1 secs Computing kpt #: 92 total cpu time spent up to now is 59.3 secs Computing kpt #: 93 total cpu time spent up to now is 59.5 secs Computing kpt #: 94 total cpu time spent up to now is 59.6 secs Computing kpt #: 95 total cpu time spent up to now is 59.8 secs Computing kpt #: 96 total cpu time spent up to now is 60.0 secs Computing kpt #: 97 total cpu time spent up to now is 60.2 secs Computing kpt #: 98 total cpu time spent up to now is 60.4 secs Computing kpt #: 99 total cpu time spent up to now is 60.6 secs Computing kpt #: 100 total cpu time spent up to now is 60.8 secs Computing kpt #: 101 total cpu time spent up to now is 61.0 secs Computing kpt #: 102 total cpu time spent up to now is 61.2 secs Computing kpt #: 103 total cpu time spent up to now is 61.4 secs Computing kpt #: 104 total cpu time spent up to now is 61.6 secs Computing kpt #: 105 total cpu time spent up to now is 61.8 secs Computing kpt #: 106 total cpu time spent up to now is 62.0 secs Computing kpt #: 107 total cpu time spent up to now is 62.3 secs Computing kpt #: 108 total cpu time spent up to now is 62.5 secs Computing kpt #: 109 total cpu time spent up to now is 62.7 secs Computing kpt #: 110 total cpu time spent up to now is 62.9 secs Computing kpt #: 111 total cpu time spent up to now is 63.2 secs Computing kpt #: 112 total cpu time spent up to now is 63.4 secs Computing kpt #: 113 total cpu time spent up to now is 63.6 secs Computing kpt #: 114 total cpu time spent up to now is 63.8 secs Computing kpt #: 115 total cpu time spent up to now is 64.1 secs Computing kpt #: 116 total cpu time spent up to now is 64.3 secs Computing kpt #: 117 total cpu time spent up to now is 64.5 secs Computing kpt #: 118 total cpu time spent up to now is 64.8 secs Computing kpt #: 119 total cpu time spent up to now is 65.1 secs Computing kpt #: 120 total cpu time spent up to now is 65.4 secs Computing kpt #: 121 total cpu time spent up to now is 65.6 secs Computing kpt #: 122 total cpu time spent up to now is 65.9 secs Computing kpt #: 123 total cpu time spent up to now is 66.2 secs Computing kpt #: 124 total cpu time spent up to now is 66.5 secs Computing kpt #: 125 total cpu time spent up to now is 66.8 secs Computing kpt #: 126 total cpu time spent up to now is 67.1 secs Computing kpt #: 127 total cpu time spent up to now is 67.4 secs Computing kpt #: 128 total cpu time spent up to now is 67.7 secs Computing kpt #: 129 total cpu time spent up to now is 68.1 secs Computing kpt #: 130 total cpu time spent up to now is 68.4 secs Computing kpt #: 131 total cpu time spent up to now is 68.8 secs Computing kpt #: 132 total cpu time spent up to now is 69.2 secs Computing kpt #: 133 total cpu time spent up to now is 69.5 secs Computing kpt #: 134 total cpu time spent up to now is 69.8 secs Computing kpt #: 135 total cpu time spent up to now is 70.1 secs Computing kpt #: 136 total cpu time spent up to now is 70.5 secs Computing kpt #: 137 total cpu time spent up to now is 70.9 secs Computing kpt #: 138 total cpu time spent up to now is 71.1 secs Computing kpt #: 139 total cpu time spent up to now is 71.4 secs Computing kpt #: 140 total cpu time spent up to now is 71.6 secs Computing kpt #: 141 total cpu time spent up to now is 71.9 secs Computing kpt #: 142 total cpu time spent up to now is 72.1 secs Computing kpt #: 143 total cpu time spent up to now is 72.3 secs Computing kpt #: 144 total cpu time spent up to now is 72.5 secs Computing kpt #: 145 total cpu time spent up to now is 72.7 secs Computing kpt #: 146 total cpu time spent up to now is 72.9 secs Computing kpt #: 147 total cpu time spent up to now is 73.1 secs Computing kpt #: 148 total cpu time spent up to now is 73.3 secs Computing kpt #: 149 total cpu time spent up to now is 73.6 secs Computing kpt #: 150 total cpu time spent up to now is 73.9 secs Computing kpt #: 151 total cpu time spent up to now is 74.2 secs Computing kpt #: 152 total cpu time spent up to now is 74.4 secs Computing kpt #: 153 total cpu time spent up to now is 74.6 secs Computing kpt #: 154 total cpu time spent up to now is 74.8 secs Computing kpt #: 155 total cpu time spent up to now is 75.0 secs Computing kpt #: 156 total cpu time spent up to now is 75.3 secs Computing kpt #: 157 total cpu time spent up to now is 75.6 secs Computing kpt #: 158 total cpu time spent up to now is 75.9 secs Computing kpt #: 159 total cpu time spent up to now is 76.2 secs Computing kpt #: 160 total cpu time spent up to now is 76.4 secs Computing kpt #: 161 total cpu time spent up to now is 76.6 secs Computing kpt #: 162 total cpu time spent up to now is 77.0 secs Computing kpt #: 163 total cpu time spent up to now is 77.2 secs Computing kpt #: 164 total cpu time spent up to now is 77.4 secs Computing kpt #: 165 total cpu time spent up to now is 77.6 secs Computing kpt #: 166 total cpu time spent up to now is 77.9 secs Computing kpt #: 167 total cpu time spent up to now is 78.1 secs Computing kpt #: 168 total cpu time spent up to now is 78.3 secs Computing kpt #: 169 total cpu time spent up to now is 78.5 secs Computing kpt #: 170 total cpu time spent up to now is 78.8 secs Computing kpt #: 171 total cpu time spent up to now is 79.0 secs Computing kpt #: 172 total cpu time spent up to now is 79.2 secs Computing kpt #: 173 total cpu time spent up to now is 79.4 secs Computing kpt #: 174 total cpu time spent up to now is 79.9 secs Computing kpt #: 175 total cpu time spent up to now is 80.2 secs Computing kpt #: 176 total cpu time spent up to now is 80.4 secs Computing kpt #: 177 total cpu time spent up to now is 80.5 secs Computing kpt #: 178 total cpu time spent up to now is 81.0 secs Computing kpt #: 179 total cpu time spent up to now is 81.2 secs Computing kpt #: 180 total cpu time spent up to now is 81.3 secs Computing kpt #: 181 total cpu time spent up to now is 81.5 secs Computing kpt #: 182 total cpu time spent up to now is 81.7 secs Computing kpt #: 183 total cpu time spent up to now is 82.1 secs Computing kpt #: 184 total cpu time spent up to now is 82.3 secs Computing kpt #: 185 total cpu time spent up to now is 82.4 secs Computing kpt #: 186 total cpu time spent up to now is 82.6 secs Computing kpt #: 187 total cpu time spent up to now is 82.9 secs Computing kpt #: 188 total cpu time spent up to now is 83.0 secs Computing kpt #: 189 total cpu time spent up to now is 83.2 secs Computing kpt #: 190 total cpu time spent up to now is 83.3 secs Computing kpt #: 191 total cpu time spent up to now is 83.5 secs Computing kpt #: 192 total cpu time spent up to now is 83.7 secs Computing kpt #: 193 total cpu time spent up to now is 83.9 secs Computing kpt #: 194 total cpu time spent up to now is 84.1 secs Computing kpt #: 195 total cpu time spent up to now is 84.2 secs Computing kpt #: 196 total cpu time spent up to now is 84.4 secs Computing kpt #: 197 total cpu time spent up to now is 84.5 secs Computing kpt #: 198 total cpu time spent up to now is 84.7 secs Computing kpt #: 199 total cpu time spent up to now is 84.8 secs Computing kpt #: 200 total cpu time spent up to now is 85.0 secs Computing kpt #: 201 total cpu time spent up to now is 85.1 secs Computing kpt #: 202 total cpu time spent up to now is 85.3 secs Computing kpt #: 203 total cpu time spent up to now is 85.5 secs Computing kpt #: 204 total cpu time spent up to now is 85.7 secs Computing kpt #: 205 total cpu time spent up to now is 85.9 secs Computing kpt #: 206 total cpu time spent up to now is 86.1 secs Computing kpt #: 207 total cpu time spent up to now is 86.3 secs Computing kpt #: 208 total cpu time spent up to now is 86.5 secs Computing kpt #: 209 total cpu time spent up to now is 86.7 secs Computing kpt #: 210 total cpu time spent up to now is 86.8 secs Computing kpt #: 211 total cpu time spent up to now is 87.1 secs Computing kpt #: 212 total cpu time spent up to now is 87.3 secs Computing kpt #: 213 total cpu time spent up to now is 87.4 secs Computing kpt #: 214 total cpu time spent up to now is 87.6 secs Computing kpt #: 215 total cpu time spent up to now is 87.8 secs Computing kpt #: 216 total cpu time spent up to now is 88.1 secs Computing kpt #: 217 total cpu time spent up to now is 88.3 secs Computing kpt #: 218 total cpu time spent up to now is 88.5 secs Computing kpt #: 219 total cpu time spent up to now is 88.8 secs Computing kpt #: 220 total cpu time spent up to now is 89.0 secs Computing kpt #: 221 total cpu time spent up to now is 89.2 secs Computing kpt #: 222 total cpu time spent up to now is 89.4 secs Computing kpt #: 223 total cpu time spent up to now is 89.6 secs Computing kpt #: 224 total cpu time spent up to now is 89.7 secs Computing kpt #: 225 total cpu time spent up to now is 89.9 secs Computing kpt #: 226 total cpu time spent up to now is 90.1 secs Computing kpt #: 227 total cpu time spent up to now is 90.3 secs Computing kpt #: 228 total cpu time spent up to now is 90.5 secs Computing kpt #: 229 total cpu time spent up to now is 90.7 secs Computing kpt #: 230 total cpu time spent up to now is 90.9 secs Computing kpt #: 231 total cpu time spent up to now is 91.1 secs Computing kpt #: 232 total cpu time spent up to now is 91.3 secs Computing kpt #: 233 total cpu time spent up to now is 91.5 secs Computing kpt #: 234 total cpu time spent up to now is 91.7 secs Computing kpt #: 235 total cpu time spent up to now is 91.9 secs Computing kpt #: 236 total cpu time spent up to now is 92.1 secs Computing kpt #: 237 total cpu time spent up to now is 92.4 secs Computing kpt #: 238 total cpu time spent up to now is 92.6 secs Computing kpt #: 239 total cpu time spent up to now is 92.8 secs Computing kpt #: 240 total cpu time spent up to now is 93.1 secs Computing kpt #: 241 total cpu time spent up to now is 93.3 secs Computing kpt #: 242 total cpu time spent up to now is 93.6 secs Computing kpt #: 243 total cpu time spent up to now is 93.8 secs Computing kpt #: 244 total cpu time spent up to now is 94.1 secs Computing kpt #: 245 total cpu time spent up to now is 94.3 secs Computing kpt #: 246 total cpu time spent up to now is 94.5 secs Computing kpt #: 247 total cpu time spent up to now is 94.7 secs Computing kpt #: 248 total cpu time spent up to now is 94.9 secs Computing kpt #: 249 total cpu time spent up to now is 95.1 secs Computing kpt #: 250 total cpu time spent up to now is 95.3 secs Computing kpt #: 251 total cpu time spent up to now is 95.5 secs Computing kpt #: 252 total cpu time spent up to now is 95.7 secs Computing kpt #: 253 total cpu time spent up to now is 95.9 secs Computing kpt #: 254 total cpu time spent up to now is 96.1 secs Computing kpt #: 255 total cpu time spent up to now is 96.3 secs Computing kpt #: 256 total cpu time spent up to now is 96.5 secs Computing kpt #: 257 total cpu time spent up to now is 96.7 secs Computing kpt #: 258 total cpu time spent up to now is 96.9 secs Computing kpt #: 259 total cpu time spent up to now is 97.1 secs Computing kpt #: 260 total cpu time spent up to now is 97.3 secs Computing kpt #: 261 total cpu time spent up to now is 97.4 secs Computing kpt #: 262 total cpu time spent up to now is 97.7 secs Computing kpt #: 263 total cpu time spent up to now is 97.9 secs Computing kpt #: 264 total cpu time spent up to now is 98.1 secs Computing kpt #: 265 total cpu time spent up to now is 98.3 secs Computing kpt #: 266 total cpu time spent up to now is 98.6 secs Computing kpt #: 267 total cpu time spent up to now is 98.8 secs Computing kpt #: 268 total cpu time spent up to now is 99.1 secs Computing kpt #: 269 total cpu time spent up to now is 99.4 secs Computing kpt #: 270 total cpu time spent up to now is 99.6 secs Computing kpt #: 271 total cpu time spent up to now is 99.9 secs Computing kpt #: 272 total cpu time spent up to now is 100.2 secs Computing kpt #: 273 total cpu time spent up to now is 100.4 secs Computing kpt #: 274 total cpu time spent up to now is 100.6 secs Computing kpt #: 275 total cpu time spent up to now is 100.9 secs Computing kpt #: 276 total cpu time spent up to now is 101.1 secs Computing kpt #: 277 total cpu time spent up to now is 101.3 secs Computing kpt #: 278 total cpu time spent up to now is 101.6 secs Computing kpt #: 279 total cpu time spent up to now is 101.8 secs Computing kpt #: 280 total cpu time spent up to now is 102.0 secs Computing kpt #: 281 total cpu time spent up to now is 102.2 secs Computing kpt #: 282 total cpu time spent up to now is 102.4 secs Computing kpt #: 283 total cpu time spent up to now is 102.7 secs Computing kpt #: 284 total cpu time spent up to now is 102.9 secs Computing kpt #: 285 total cpu time spent up to now is 103.1 secs Computing kpt #: 286 total cpu time spent up to now is 103.4 secs Computing kpt #: 287 total cpu time spent up to now is 103.6 secs Computing kpt #: 288 total cpu time spent up to now is 103.9 secs Computing kpt #: 289 total cpu time spent up to now is 104.2 secs Computing kpt #: 290 total cpu time spent up to now is 104.6 secs Computing kpt #: 291 total cpu time spent up to now is 105.1 secs Computing kpt #: 292 total cpu time spent up to now is 105.4 secs Computing kpt #: 293 total cpu time spent up to now is 106.0 secs Computing kpt #: 294 total cpu time spent up to now is 106.3 secs Computing kpt #: 295 total cpu time spent up to now is 106.6 secs Computing kpt #: 296 total cpu time spent up to now is 106.9 secs Computing kpt #: 297 total cpu time spent up to now is 107.2 secs Computing kpt #: 298 total cpu time spent up to now is 107.5 secs Computing kpt #: 299 total cpu time spent up to now is 107.8 secs Computing kpt #: 300 total cpu time spent up to now is 108.1 secs Computing kpt #: 301 total cpu time spent up to now is 108.4 secs Computing kpt #: 302 total cpu time spent up to now is 108.7 secs Computing kpt #: 303 total cpu time spent up to now is 109.0 secs Computing kpt #: 304 total cpu time spent up to now is 109.2 secs Computing kpt #: 305 total cpu time spent up to now is 109.5 secs Computing kpt #: 306 total cpu time spent up to now is 109.7 secs Computing kpt #: 307 total cpu time spent up to now is 110.0 secs Computing kpt #: 308 total cpu time spent up to now is 110.3 secs Computing kpt #: 309 total cpu time spent up to now is 110.6 secs Computing kpt #: 310 total cpu time spent up to now is 110.9 secs Computing kpt #: 311 total cpu time spent up to now is 111.2 secs Computing kpt #: 312 total cpu time spent up to now is 111.5 secs Computing kpt #: 313 total cpu time spent up to now is 111.8 secs Computing kpt #: 314 total cpu time spent up to now is 112.0 secs Computing kpt #: 315 total cpu time spent up to now is 112.2 secs Computing kpt #: 316 total cpu time spent up to now is 112.5 secs Computing kpt #: 317 total cpu time spent up to now is 112.8 secs Computing kpt #: 318 total cpu time spent up to now is 113.0 secs Computing kpt #: 319 total cpu time spent up to now is 113.2 secs Computing kpt #: 320 total cpu time spent up to now is 113.4 secs Computing kpt #: 321 total cpu time spent up to now is 113.6 secs Computing kpt #: 322 total cpu time spent up to now is 113.8 secs Computing kpt #: 323 total cpu time spent up to now is 114.0 secs Computing kpt #: 324 total cpu time spent up to now is 114.2 secs Computing kpt #: 325 total cpu time spent up to now is 114.4 secs Computing kpt #: 326 total cpu time spent up to now is 114.6 secs Computing kpt #: 327 total cpu time spent up to now is 114.8 secs Computing kpt #: 328 total cpu time spent up to now is 115.0 secs Computing kpt #: 329 total cpu time spent up to now is 115.2 secs Computing kpt #: 330 total cpu time spent up to now is 115.4 secs Computing kpt #: 331 total cpu time spent up to now is 115.6 secs Computing kpt #: 332 total cpu time spent up to now is 116.0 secs Computing kpt #: 333 total cpu time spent up to now is 116.4 secs Computing kpt #: 334 total cpu time spent up to now is 116.8 secs Computing kpt #: 335 total cpu time spent up to now is 117.2 secs Computing kpt #: 336 total cpu time spent up to now is 117.5 secs Computing kpt #: 337 total cpu time spent up to now is 117.9 secs Computing kpt #: 338 total cpu time spent up to now is 118.2 secs Computing kpt #: 339 total cpu time spent up to now is 118.6 secs Computing kpt #: 340 total cpu time spent up to now is 118.9 secs Computing kpt #: 341 total cpu time spent up to now is 119.2 secs Computing kpt #: 342 total cpu time spent up to now is 119.5 secs Computing kpt #: 343 total cpu time spent up to now is 119.8 secs Computing kpt #: 344 total cpu time spent up to now is 120.0 secs Computing kpt #: 345 total cpu time spent up to now is 120.3 secs Computing kpt #: 346 total cpu time spent up to now is 120.6 secs Computing kpt #: 347 total cpu time spent up to now is 120.9 secs Computing kpt #: 348 total cpu time spent up to now is 121.1 secs Computing kpt #: 349 total cpu time spent up to now is 121.4 secs Computing kpt #: 350 total cpu time spent up to now is 121.7 secs Computing kpt #: 351 total cpu time spent up to now is 122.0 secs Computing kpt #: 352 total cpu time spent up to now is 122.3 secs Computing kpt #: 353 total cpu time spent up to now is 122.6 secs Computing kpt #: 354 total cpu time spent up to now is 122.8 secs Computing kpt #: 355 total cpu time spent up to now is 123.1 secs Computing kpt #: 356 total cpu time spent up to now is 123.5 secs Computing kpt #: 357 total cpu time spent up to now is 123.9 secs Computing kpt #: 358 total cpu time spent up to now is 124.2 secs Computing kpt #: 359 total cpu time spent up to now is 124.4 secs Computing kpt #: 360 total cpu time spent up to now is 124.6 secs Computing kpt #: 361 total cpu time spent up to now is 124.8 secs Computing kpt #: 362 total cpu time spent up to now is 125.0 secs Computing kpt #: 363 total cpu time spent up to now is 125.2 secs Computing kpt #: 364 total cpu time spent up to now is 125.4 secs Computing kpt #: 365 total cpu time spent up to now is 125.6 secs Computing kpt #: 366 total cpu time spent up to now is 125.8 secs Computing kpt #: 367 total cpu time spent up to now is 126.0 secs Computing kpt #: 368 total cpu time spent up to now is 126.2 secs Computing kpt #: 369 total cpu time spent up to now is 126.4 secs Computing kpt #: 370 total cpu time spent up to now is 126.6 secs Computing kpt #: 371 total cpu time spent up to now is 126.8 secs Computing kpt #: 372 total cpu time spent up to now is 127.0 secs Computing kpt #: 373 total cpu time spent up to now is 127.2 secs Computing kpt #: 374 total cpu time spent up to now is 127.4 secs Computing kpt #: 375 total cpu time spent up to now is 127.6 secs Computing kpt #: 376 total cpu time spent up to now is 127.8 secs Computing kpt #: 377 total cpu time spent up to now is 128.2 secs Computing kpt #: 378 total cpu time spent up to now is 128.5 secs Computing kpt #: 379 total cpu time spent up to now is 128.7 secs Computing kpt #: 380 total cpu time spent up to now is 129.0 secs Computing kpt #: 381 total cpu time spent up to now is 129.4 secs Computing kpt #: 382 total cpu time spent up to now is 129.6 secs Computing kpt #: 383 total cpu time spent up to now is 130.0 secs Computing kpt #: 384 total cpu time spent up to now is 130.3 secs Computing kpt #: 385 total cpu time spent up to now is 130.5 secs Computing kpt #: 386 total cpu time spent up to now is 130.7 secs Computing kpt #: 387 total cpu time spent up to now is 131.0 secs Computing kpt #: 388 total cpu time spent up to now is 131.2 secs Computing kpt #: 389 total cpu time spent up to now is 131.4 secs Computing kpt #: 390 total cpu time spent up to now is 131.7 secs Computing kpt #: 391 total cpu time spent up to now is 131.9 secs Computing kpt #: 392 total cpu time spent up to now is 132.1 secs Computing kpt #: 393 total cpu time spent up to now is 132.4 secs Computing kpt #: 394 total cpu time spent up to now is 132.6 secs Computing kpt #: 395 total cpu time spent up to now is 132.8 secs Computing kpt #: 396 total cpu time spent up to now is 133.1 secs Computing kpt #: 397 total cpu time spent up to now is 133.3 secs Computing kpt #: 398 total cpu time spent up to now is 133.6 secs Computing kpt #: 399 total cpu time spent up to now is 133.8 secs Computing kpt #: 400 total cpu time spent up to now is 134.1 secs Computing kpt #: 401 total cpu time spent up to now is 134.4 secs Computing kpt #: 402 total cpu time spent up to now is 134.7 secs Computing kpt #: 403 total cpu time spent up to now is 135.0 secs Computing kpt #: 404 total cpu time spent up to now is 135.3 secs Computing kpt #: 405 total cpu time spent up to now is 135.6 secs Computing kpt #: 406 total cpu time spent up to now is 135.9 secs Computing kpt #: 407 total cpu time spent up to now is 136.4 secs Computing kpt #: 408 total cpu time spent up to now is 136.7 secs Computing kpt #: 409 total cpu time spent up to now is 137.0 secs Computing kpt #: 410 total cpu time spent up to now is 137.3 secs Computing kpt #: 411 total cpu time spent up to now is 137.6 secs Computing kpt #: 412 total cpu time spent up to now is 137.9 secs Computing kpt #: 413 total cpu time spent up to now is 138.2 secs Computing kpt #: 414 total cpu time spent up to now is 138.5 secs Computing kpt #: 415 total cpu time spent up to now is 138.8 secs Computing kpt #: 416 total cpu time spent up to now is 139.0 secs Computing kpt #: 417 total cpu time spent up to now is 139.3 secs Computing kpt #: 418 total cpu time spent up to now is 139.7 secs Computing kpt #: 419 total cpu time spent up to now is 140.0 secs Computing kpt #: 420 total cpu time spent up to now is 140.3 secs Computing kpt #: 421 total cpu time spent up to now is 140.6 secs Computing kpt #: 422 total cpu time spent up to now is 140.9 secs Computing kpt #: 423 total cpu time spent up to now is 141.1 secs Computing kpt #: 424 total cpu time spent up to now is 141.3 secs Computing kpt #: 425 total cpu time spent up to now is 141.6 secs Computing kpt #: 426 total cpu time spent up to now is 141.9 secs Computing kpt #: 427 total cpu time spent up to now is 142.1 secs Computing kpt #: 428 total cpu time spent up to now is 142.4 secs Computing kpt #: 429 total cpu time spent up to now is 142.7 secs Computing kpt #: 430 total cpu time spent up to now is 143.0 secs Computing kpt #: 431 total cpu time spent up to now is 143.2 secs Computing kpt #: 432 total cpu time spent up to now is 143.4 secs Computing kpt #: 433 total cpu time spent up to now is 143.6 secs Computing kpt #: 434 total cpu time spent up to now is 143.8 secs Computing kpt #: 435 total cpu time spent up to now is 144.0 secs ethr = 1.00E-10, avg # of iterations = 19.7 total cpu time spent up to now is 144.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -93.2988 -93.2988 -8.0954 -8.0954 5.6756 5.6756 5.7721 5.7721 5.7721 5.7721 11.3735 11.3735 11.3800 11.3800 11.3800 11.3800 11.8149 11.8149 k = 0.0076-0.0044 0.0062 ( 1917 PWs) bands (ev): -93.2988 -93.2988 -8.0945 -8.0945 5.6724 5.6724 5.7682 5.7682 5.7693 5.7693 11.3727 11.3727 11.3810 11.3810 11.3841 11.3841 11.8223 11.8223 k = 0.0152-0.0087 0.0124 ( 1917 PWs) bands (ev): -93.2988 -93.2988 -8.0918 -8.0918 5.6627 5.6627 5.7569 5.7569 5.7611 5.7611 11.3631 11.3631 11.3922 11.3922 11.3964 11.3964 11.8437 11.8437 k = 0.0227-0.0131 0.0186 ( 1913 PWs) bands (ev): -93.2988 -93.2988 -8.0872 -8.0872 5.6464 5.6464 5.7383 5.7383 5.7476 5.7476 11.3470 11.3470 11.4122 11.4122 11.4167 11.4167 11.8777 11.8777 k = 0.0303-0.0175 0.0247 ( 1913 PWs) bands (ev): -93.2988 -93.2988 -8.0809 -8.0809 5.6232 5.6232 5.7132 5.7132 5.7288 5.7288 11.3266 11.3266 11.4402 11.4402 11.4450 11.4450 11.9225 11.9225 k = 0.0379-0.0219 0.0309 ( 1913 PWs) bands (ev): -93.2988 -93.2988 -8.0727 -8.0727 5.5928 5.5928 5.6823 5.6823 5.7049 5.7049 11.3034 11.3034 11.4760 11.4760 11.4810 11.4810 11.9764 11.9764 k = 0.0455-0.0262 0.0371 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -8.0628 -8.0628 5.5548 5.5548 5.6467 5.6467 5.6763 5.6763 11.2779 11.2779 11.5192 11.5192 11.5246 11.5246 12.0383 12.0383 k = 0.0530-0.0306 0.0433 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -8.0510 -8.0510 5.5089 5.5089 5.6073 5.6073 5.6430 5.6430 11.2509 11.2509 11.5697 11.5697 11.5755 11.5755 12.1069 12.1069 k = 0.0606-0.0350 0.0495 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -8.0375 -8.0375 5.4551 5.4551 5.5647 5.5647 5.6055 5.6055 11.2225 11.2225 11.6271 11.6271 11.6333 11.6333 12.1815 12.1815 k = 0.0682-0.0394 0.0557 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -8.0222 -8.0222 5.3938 5.3938 5.5194 5.5194 5.5640 5.5640 11.1929 11.1929 11.6911 11.6911 11.6979 11.6979 12.2610 12.2610 k = 0.0758-0.0437 0.0619 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -8.0051 -8.0051 5.3258 5.3258 5.4715 5.4715 5.5188 5.5188 11.1620 11.1620 11.7615 11.7615 11.7687 11.7687 12.3445 12.3445 k = 0.0833-0.0481 0.0680 ( 1913 PWs) bands (ev): -93.2988 -93.2988 -7.9863 -7.9863 5.2516 5.2516 5.4210 5.4210 5.4703 5.4703 11.1300 11.1300 11.8378 11.8378 11.8456 11.8456 12.4311 12.4311 k = 0.0909-0.0525 0.0742 ( 1913 PWs) bands (ev): -93.2988 -93.2988 -7.9657 -7.9657 5.1720 5.1720 5.3682 5.3682 5.4188 5.4188 11.0968 11.0968 11.9198 11.9198 11.9282 11.9282 12.5197 12.5197 k = 0.0985-0.0569 0.0804 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -7.9434 -7.9434 5.0876 5.0876 5.3131 5.3131 5.3646 5.3646 11.0625 11.0625 12.0071 12.0071 12.0162 12.0162 12.6091 12.6091 k = 0.1061-0.0612 0.0866 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -7.9195 -7.9195 4.9990 4.9990 5.2560 5.2560 5.3080 5.3080 11.0270 11.0270 12.0994 12.0994 12.1091 12.1091 12.6978 12.6978 k = 0.1136-0.0656 0.0928 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -7.8938 -7.8938 4.9066 4.9066 5.1971 5.1971 5.2494 5.2494 10.9903 10.9903 12.1964 12.1964 12.2068 12.2068 12.7843 12.7843 k = 0.1212-0.0700 0.0990 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -7.8665 -7.8665 4.8108 4.8108 5.1365 5.1365 5.1890 5.1890 10.9525 10.9525 12.2979 12.2979 12.3089 12.3089 12.8668 12.8668 k = 0.1288-0.0744 0.1052 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -7.8376 -7.8376 4.7122 4.7122 5.0746 5.0746 5.1270 5.1270 10.9135 10.9135 12.4035 12.4035 12.4152 12.4152 12.9431 12.9431 k = 0.1364-0.0787 0.1113 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -7.8070 -7.8070 4.6111 4.6111 5.0115 5.0115 5.0639 5.0639 10.8735 10.8735 12.5129 12.5129 12.5253 12.5253 13.0109 13.0109 k = 0.1439-0.0831 0.1175 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -7.7749 -7.7749 4.5077 4.5077 4.9475 4.9475 4.9997 4.9997 10.8323 10.8323 12.6259 12.6259 12.6390 12.6390 13.0679 13.0679 k = 0.1515-0.0875 0.1237 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -7.7412 -7.7412 4.4025 4.4025 4.8827 4.8827 4.9347 4.9347 10.7902 10.7902 12.7423 12.7423 12.7560 12.7560 13.1114 13.1114 k = 0.1591-0.0919 0.1299 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -7.7060 -7.7060 4.2957 4.2957 4.8175 4.8175 4.8692 4.8692 10.7470 10.7470 12.8617 12.8617 12.8762 12.8762 13.1394 13.1394 k = 0.1667-0.0962 0.1361 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -7.6693 -7.6693 4.1875 4.1875 4.7519 4.7519 4.8033 4.8033 10.7029 10.7029 12.9840 12.9840 12.9993 12.9993 13.1501 13.1501 k = 0.1742-0.1006 0.1423 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -7.6312 -7.6312 4.0782 4.0782 4.6862 4.6862 4.7373 4.7373 10.6579 10.6579 13.1065 13.1065 13.1252 13.1252 13.1449 13.1449 k = 0.1818-0.1050 0.1485 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -7.5916 -7.5916 3.9680 3.9680 4.6205 4.6205 4.6713 4.6713 10.6120 10.6120 13.1143 13.1143 13.2387 13.2387 13.2536 13.2536 k = 0.1894-0.1093 0.1546 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -7.5507 -7.5507 3.8571 3.8571 4.5549 4.5549 4.6054 4.6054 10.5651 10.5651 13.0714 13.0714 13.3683 13.3683 13.3843 13.3843 k = 0.1970-0.1137 0.1608 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -7.5085 -7.5085 3.7457 3.7457 4.4897 4.4897 4.5398 4.5398 10.5175 10.5175 13.0126 13.0126 13.5005 13.5005 13.5172 13.5172 k = 0.2045-0.1181 0.1670 ( 1924 PWs) bands (ev): -93.2988 -93.2988 -7.4651 -7.4651 3.6340 3.6340 4.4249 4.4249 4.4747 4.4747 10.4690 10.4690 12.9406 12.9406 13.6349 13.6349 13.6522 13.6522 k = 0.2121-0.1225 0.1732 ( 1924 PWs) bands (ev): -93.2988 -93.2988 -7.4204 -7.4204 3.5221 3.5221 4.3607 4.3607 4.4102 4.4102 10.4197 10.4197 12.8577 12.8577 13.7713 13.7713 13.7891 13.7891 k = 0.2197-0.1268 0.1794 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -7.3745 -7.3745 3.4101 3.4101 4.2971 4.2971 4.3463 4.3463 10.3697 10.3697 12.7665 12.7665 13.9094 13.9094 13.9278 13.9278 k = 0.2273-0.1312 0.1856 ( 1920 PWs) bands (ev): -93.2988 -93.2988 -7.3276 -7.3276 3.2983 3.2983 4.2344 4.2344 4.2833 4.2833 10.3189 10.3189 12.6691 12.6691 14.0493 14.0493 14.0682 14.0682 k = 0.2348-0.1356 0.1918 ( 1920 PWs) bands (ev): -93.2988 -93.2988 -7.2796 -7.2796 3.1868 3.1868 4.1726 4.1726 4.2211 4.2211 10.2673 10.2673 12.5674 12.5674 14.1907 14.1907 14.2100 14.2100 k = 0.2424-0.1400 0.1979 ( 1924 PWs) bands (ev): -93.2988 -93.2988 -7.2306 -7.2306 3.0756 3.0756 4.1117 4.1117 4.1600 4.1600 10.2150 10.2150 12.4632 12.4632 14.3335 14.3335 14.3533 14.3533 k = 0.2500-0.1443 0.2041 ( 1924 PWs) bands (ev): -93.2988 -93.2988 -7.1808 -7.1808 2.9650 2.9650 4.0519 4.0519 4.0999 4.0999 10.1619 10.1619 12.3579 12.3579 14.4777 14.4777 14.4979 14.4979 k = 0.2576-0.1487 0.2103 ( 1924 PWs) bands (ev): -93.2988 -93.2988 -7.1301 -7.1301 2.8550 2.8550 3.9933 3.9933 4.0410 4.0410 10.1082 10.1082 12.2525 12.2525 14.6230 14.6230 14.6438 14.6438 k = 0.2652-0.1531 0.2165 ( 1924 PWs) bands (ev): -93.2988 -93.2988 -7.0787 -7.0787 2.7458 2.7458 3.9359 3.9359 3.9834 3.9834 10.0538 10.0538 12.1481 12.1481 14.7696 14.7696 14.7907 14.7907 k = 0.2727-0.1575 0.2227 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -7.0267 -7.0267 2.6375 2.6375 3.8798 3.8798 3.9270 3.9270 9.9988 9.9988 12.0454 12.0454 14.9171 14.9171 14.9386 14.9386 k = 0.2803-0.1618 0.2289 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -6.9741 -6.9741 2.5303 2.5303 3.8251 3.8251 3.8720 3.8720 9.9432 9.9432 11.9451 11.9451 15.0656 15.0656 15.0875 15.0875 k = 0.2879-0.1662 0.2351 ( 1912 PWs) bands (ev): -93.2988 -93.2988 -6.9211 -6.9211 2.4242 2.4242 3.7717 3.7717 3.8184 3.8184 9.8871 9.8871 11.8478 11.8478 15.2149 15.2149 15.2371 15.2371 k = 0.2955-0.1706 0.2412 ( 1912 PWs) bands (ev): -93.2988 -93.2988 -6.8677 -6.8677 2.3195 2.3195 3.7199 3.7199 3.7664 3.7664 9.8307 9.8307 11.7537 11.7537 15.3649 15.3649 15.3875 15.3875 k = 0.3030-0.1750 0.2474 ( 1912 PWs) bands (ev): -93.2988 -93.2988 -6.8141 -6.8141 2.2162 2.2162 3.6696 3.6696 3.7158 3.7158 9.7739 9.7739 11.6634 11.6634 15.5155 15.5155 15.5385 15.5385 k = 0.3106-0.1793 0.2536 ( 1912 PWs) bands (ev): -93.2988 -93.2988 -6.7604 -6.7604 2.1145 2.1145 3.6208 3.6208 3.6669 3.6669 9.7170 9.7170 11.5769 11.5769 15.6666 15.6666 15.6899 15.6899 k = 0.3182-0.1837 0.2598 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -6.7067 -6.7067 2.0145 2.0145 3.5737 3.5737 3.6195 3.6195 9.6600 9.6600 11.4945 11.4945 15.8181 15.8181 15.8418 15.8418 k = 0.3258-0.1881 0.2660 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -6.6531 -6.6531 1.9165 1.9165 3.5282 3.5282 3.5739 3.5739 9.6032 9.6032 11.4162 11.4162 15.9699 15.9699 15.9938 15.9938 k = 0.3333-0.1925 0.2722 ( 1932 PWs) bands (ev): -93.2988 -93.2988 -6.5999 -6.5999 1.8205 1.8205 3.4844 3.4844 3.5299 3.5299 9.5468 9.5468 11.3422 11.3422 16.1217 16.1217 16.1460 16.1460 k = 0.3409-0.1968 0.2784 ( 1924 PWs) bands (ev): -93.2988 -93.2988 -6.5471 -6.5471 1.7267 1.7267 3.4424 3.4424 3.4877 3.4877 9.4909 9.4909 11.2725 11.2725 16.2735 16.2735 16.2981 16.2981 k = 0.3485-0.2012 0.2845 ( 1924 PWs) bands (ev): -93.2988 -93.2988 -6.4949 -6.4949 1.6353 1.6353 3.4021 3.4021 3.4472 3.4472 9.4357 9.4357 11.2069 11.2069 16.4251 16.4251 16.4500 16.4500 k = 0.3561-0.2056 0.2907 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -6.4435 -6.4435 1.5465 1.5465 3.3636 3.3636 3.4086 3.4086 9.3815 9.3815 11.1455 11.1455 16.5762 16.5762 16.6014 16.6014 k = 0.3636-0.2099 0.2969 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -6.3930 -6.3930 1.4605 1.4605 3.3269 3.3269 3.3718 3.3718 9.3286 9.3286 11.0882 11.0882 16.7266 16.7266 16.7521 16.7521 k = 0.3712-0.2143 0.3031 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -6.3436 -6.3436 1.3774 1.3774 3.2921 3.2921 3.3368 3.3368 9.2771 9.2771 11.0348 11.0348 16.8761 16.8761 16.9019 16.9019 k = 0.3788-0.2187 0.3093 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -6.2956 -6.2956 1.2975 1.2975 3.2592 3.2592 3.3037 3.3037 9.2272 9.2272 10.9853 10.9853 17.0243 17.0243 17.0504 17.0504 k = 0.3864-0.2231 0.3155 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.2490 -6.2490 1.2210 1.2210 3.2281 3.2281 3.2726 3.2726 9.1792 9.1792 10.9395 10.9395 17.1709 17.1709 17.1973 17.1973 k = 0.3939-0.2274 0.3217 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -6.2042 -6.2042 1.1480 1.1480 3.1990 3.1990 3.2433 3.2433 9.1333 9.1333 10.8973 10.8973 17.3155 17.3155 17.3421 17.3421 k = 0.4015-0.2318 0.3278 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -6.1612 -6.1612 1.0788 1.0788 3.1717 3.1717 3.2160 3.2160 9.0898 9.0898 10.8586 10.8586 17.4574 17.4574 17.4843 17.4843 k = 0.4091-0.2362 0.3340 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -6.1204 -6.1204 1.0136 1.0136 3.1465 3.1465 3.1907 3.1907 9.0487 9.0487 10.8233 10.8233 17.5962 17.5962 17.6234 17.6234 k = 0.4167-0.2406 0.3402 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.0819 -6.0819 0.9526 0.9526 3.1232 3.1232 3.1673 3.1673 9.0103 9.0103 10.7912 10.7912 17.7312 17.7312 17.7586 17.7586 k = 0.4242-0.2449 0.3464 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.0458 -6.0458 0.8961 0.8961 3.1019 3.1019 3.1459 3.1459 8.9747 8.9747 10.7623 10.7623 17.8614 17.8614 17.8890 17.8890 k = 0.4318-0.2493 0.3526 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.0125 -6.0125 0.8442 0.8442 3.0826 3.0826 3.1265 3.1265 8.9420 8.9420 10.7364 10.7364 17.9859 17.9859 18.0138 18.0138 k = 0.4394-0.2537 0.3588 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -5.9821 -5.9821 0.7971 0.7971 3.0653 3.0653 3.1091 3.1091 8.9125 8.9125 10.7135 10.7135 18.1035 18.1035 18.1317 18.1317 k = 0.4470-0.2581 0.3649 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -5.9548 -5.9548 0.7551 0.7551 3.0500 3.0500 3.0938 3.0938 8.8862 8.8862 10.6934 10.6934 18.2131 18.2131 18.2416 18.2416 k = 0.4545-0.2624 0.3711 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -5.9307 -5.9307 0.7182 0.7182 3.0367 3.0367 3.0804 3.0804 8.8631 8.8631 10.6762 10.6762 18.3131 18.3131 18.3418 18.3418 k = 0.4621-0.2668 0.3773 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -5.9101 -5.9101 0.6868 0.6868 3.0254 3.0254 3.0692 3.0692 8.8435 8.8435 10.6618 10.6618 18.4018 18.4018 18.4307 18.4307 k = 0.4697-0.2712 0.3835 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -5.8930 -5.8930 0.6608 0.6608 3.0162 3.0162 3.0599 3.0599 8.8274 8.8274 10.6500 10.6500 18.4776 18.4776 18.5068 18.5068 k = 0.4773-0.2756 0.3897 ( 1888 PWs) bands (ev): -93.2988 -93.2988 -5.8796 -5.8796 0.6405 0.6405 3.0090 3.0090 3.0527 3.0527 8.8148 8.8148 10.6409 10.6409 18.5389 18.5389 18.5681 18.5681 k = 0.4848-0.2799 0.3959 ( 1888 PWs) bands (ev): -93.2988 -93.2988 -5.8699 -5.8699 0.6259 0.6259 3.0039 3.0039 3.0476 3.0476 8.8057 8.8057 10.6344 10.6344 18.5839 18.5839 18.6133 18.6133 k = 0.4924-0.2843 0.4021 ( 1888 PWs) bands (ev): -93.2988 -93.2988 -5.8641 -5.8641 0.6171 0.6171 3.0008 3.0008 3.0445 3.0445 8.8003 8.8003 10.6305 10.6305 18.6115 18.6115 18.6410 18.6410 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): -93.2988 -93.2988 -5.8622 -5.8622 0.6142 0.6142 2.9998 2.9998 3.0435 3.0435 8.7985 8.7985 10.6292 10.6292 18.6208 18.6208 18.6503 18.6503 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): -93.2988 -93.2988 -5.8622 -5.8622 0.6142 0.6142 2.9998 2.9998 3.0435 3.0435 8.7985 8.7985 10.6292 10.6292 18.6208 18.6208 18.6503 18.6503 k = 0.5000-0.2799 0.4144 ( 1886 PWs) bands (ev): -93.2988 -93.2988 -5.8620 -5.8620 0.6150 0.6152 2.9975 2.9980 3.0414 3.0414 8.8037 8.8037 10.6332 10.6336 18.6142 18.6169 18.6450 18.6451 k = 0.5000-0.2712 0.4206 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.8616 -5.8616 0.6177 0.6181 2.9911 2.9920 3.0351 3.0351 8.8194 8.8194 10.6457 10.6464 18.5969 18.6023 18.6290 18.6291 k = 0.5000-0.2624 0.4268 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.8610 -5.8610 0.6222 0.6228 2.9807 2.9819 3.0247 3.0248 8.8454 8.8455 10.6665 10.6675 18.5688 18.5767 18.6020 18.6023 k = 0.5000-0.2537 0.4330 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -5.8601 -5.8601 0.6285 0.6294 2.9662 2.9680 3.0104 3.0104 8.8817 8.8817 10.6955 10.6969 18.5296 18.5397 18.5638 18.5645 k = 0.5000-0.2449 0.4392 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -5.8589 -5.8589 0.6367 0.6378 2.9480 2.9502 2.9923 2.9923 8.9279 8.9279 10.7327 10.7345 18.4789 18.4905 18.5139 18.5154 k = 0.5000-0.2362 0.4454 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -5.8576 -5.8575 0.6467 0.6480 2.9261 2.9288 2.9707 2.9707 8.9838 8.9839 10.7779 10.7800 18.4160 18.4283 18.4520 18.4551 k = 0.5000-0.2274 0.4515 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -5.8560 -5.8559 0.6585 0.6600 2.9008 2.9040 2.9457 2.9459 9.0491 9.0492 10.8309 10.8333 18.3404 18.3520 18.3780 18.3838 k = 0.5000-0.2187 0.4577 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -5.8541 -5.8541 0.6721 0.6739 2.8721 2.8759 2.9179 2.9182 9.1234 9.1235 10.8915 10.8943 18.2510 18.2610 18.2925 18.3016 k = 0.5000-0.2099 0.4639 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -5.8521 -5.8521 0.6875 0.6895 2.8403 2.8446 2.8875 2.8879 9.2064 9.2065 10.9595 10.9626 18.1469 18.1550 18.1961 18.2087 k = 0.5000-0.2012 0.4701 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -5.8499 -5.8499 0.7047 0.7070 2.8054 2.8103 2.8551 2.8557 9.2976 9.2977 11.0347 11.0380 18.0280 18.0343 18.0897 18.1053 k = 0.5000-0.1925 0.4763 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.8476 -5.8476 0.7236 0.7262 2.7677 2.7732 2.8211 2.8218 9.3967 9.3968 11.1167 11.1204 17.8946 17.8995 17.9738 17.9917 k = 0.5000-0.1837 0.4825 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8451 -5.8451 0.7443 0.7472 2.7272 2.7333 2.7860 2.7868 9.5032 9.5033 11.2054 11.2093 17.7476 17.7515 17.8490 17.8685 k = 0.5000-0.1750 0.4887 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8425 -5.8425 0.7667 0.7699 2.6841 2.6907 2.7502 2.7511 9.6167 9.6169 11.3004 11.3046 17.5885 17.5916 17.7159 17.7365 k = 0.5000-0.1662 0.4948 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8398 -5.8398 0.7907 0.7943 2.6387 2.6458 2.7142 2.7151 9.7368 9.7370 11.4015 11.4060 17.4187 17.4213 17.5751 17.5965 k = 0.5000-0.1575 0.5010 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8371 -5.8370 0.8165 0.8204 2.5912 2.5988 2.6782 2.6791 9.8631 9.8632 11.5084 11.5131 17.2398 17.2420 17.4276 17.4493 k = 0.5000-0.1487 0.5072 ( 1890 PWs) bands (ev): -93.2988 -93.2988 -5.8343 -5.8342 0.8438 0.8482 2.5418 2.5499 2.6426 2.6434 9.9950 9.9951 11.6208 11.6257 17.0534 17.0553 17.2740 17.2959 k = 0.5000-0.1400 0.5134 ( 1890 PWs) bands (ev): -93.2988 -93.2988 -5.8314 -5.8314 0.8727 0.8776 2.4908 2.4994 2.6075 2.6084 10.1321 10.1323 11.7384 11.7436 16.8610 16.8627 17.1151 17.1371 k = 0.5000-0.1312 0.5196 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.8286 -5.8286 0.9032 0.9085 2.4385 2.4476 2.5734 2.5741 10.2741 10.2742 11.8610 11.8663 16.6639 16.6654 16.9519 16.9738 k = 0.5000-0.1225 0.5258 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8258 -5.8258 0.9351 0.9410 2.3851 2.3949 2.5403 2.5410 10.4203 10.4204 11.9881 11.9937 16.4636 16.4649 16.7850 16.8067 k = 0.5000-0.1137 0.5320 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8231 -5.8231 0.9685 0.9750 2.3308 2.3413 2.5085 2.5091 10.5703 10.5704 12.1196 12.1253 16.2611 16.2624 16.6151 16.6365 k = 0.5000-0.1050 0.5381 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8205 -5.8204 1.0031 1.0104 2.2760 2.2872 2.4783 2.4788 10.7234 10.7236 12.2551 12.2609 16.0578 16.0589 16.4429 16.4641 k = 0.5000-0.0962 0.5443 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8179 -5.8179 1.0390 1.0471 2.2208 2.2329 2.4497 2.4503 10.8790 10.8792 12.3942 12.4001 15.8547 15.8558 16.2691 16.2901 k = 0.5000-0.0875 0.5505 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8155 -5.8155 1.0760 1.0851 2.1655 2.1786 2.4231 2.4236 11.0363 11.0364 12.5365 12.5425 15.6531 15.6541 16.0944 16.1151 k = 0.5000-0.0787 0.5567 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -5.8133 -5.8133 1.1139 1.1242 2.1104 2.1247 2.3985 2.3990 11.1943 11.1944 12.6816 12.6876 15.4543 15.4552 15.9194 15.9399 k = 0.5000-0.0700 0.5629 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8112 -5.8112 1.1525 1.1642 2.0557 2.0714 2.3762 2.3766 11.3517 11.3518 12.8289 12.8349 15.2597 15.2607 15.7448 15.7653 k = 0.5000-0.0612 0.5691 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8093 -5.8093 1.1915 1.2049 2.0019 2.0193 2.3561 2.3565 11.5069 11.5071 12.9777 12.9836 15.0714 15.0722 15.5717 15.5922 k = 0.5000-0.0525 0.5753 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8077 -5.8076 1.2304 1.2459 1.9493 1.9687 2.3385 2.3389 11.6578 11.6579 13.1270 13.1325 14.8915 14.8923 15.4011 15.4217 k = 0.5000-0.0437 0.5814 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8062 -5.8062 1.2686 1.2867 1.8985 1.9206 2.3235 2.3238 11.8013 11.8014 13.2752 13.2802 14.7232 14.7241 15.2347 15.2557 k = 0.5000-0.0350 0.5876 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8050 -5.8050 1.3051 1.3264 1.8506 1.8759 2.3111 2.3114 11.9332 11.9333 13.4197 13.4240 14.5708 14.5717 15.0752 15.0968 k = 0.5000-0.0262 0.5938 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8041 -5.8041 1.3383 1.3635 1.8070 1.8362 2.3013 2.3016 12.0482 12.0482 13.5560 13.5593 14.4400 14.4408 14.9272 14.9497 k = 0.5000-0.0175 0.6000 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8034 -5.8034 1.3659 1.3954 1.7704 1.8040 2.2943 2.2946 12.1390 12.1391 13.6756 13.6774 14.3377 14.3385 14.7991 14.8231 k = 0.5000-0.0087 0.6062 ( 1888 PWs) bands (ev): -93.2988 -93.2988 -5.8030 -5.8030 1.3847 1.4181 1.7449 1.7824 2.2901 2.2904 12.1980 12.1980 13.7630 13.7632 14.2718 14.2727 14.7066 14.7322 k = 0.5000 0.0000 0.6124 ( 1888 PWs) bands (ev): -93.2988 -93.2988 -5.8029 -5.8028 1.3914 1.4265 1.7356 1.7748 2.2887 2.2890 12.2185 12.2186 13.7957 13.7963 14.2490 14.2498 14.6716 14.6980 k = 0.5000 0.0000 0.6124 ( 1888 PWs) bands (ev): -93.2988 -93.2988 -5.8029 -5.8028 1.3914 1.4265 1.7356 1.7748 2.2887 2.2890 12.2185 12.2186 13.7957 13.7963 14.2490 14.2498 14.6716 14.6980 k = 0.4948 0.0090 0.6124 ( 1888 PWs) bands (ev): -93.2988 -93.2988 -5.8033 -5.8033 1.3875 1.4219 1.7373 1.7757 2.2938 2.2954 12.2069 12.2076 13.7735 13.7737 14.2684 14.2692 14.6902 14.7162 k = 0.4896 0.0180 0.6124 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8046 -5.8045 1.3770 1.4096 1.7397 1.7762 2.3111 2.3140 12.1716 12.1729 13.7197 13.7204 14.3212 14.3221 14.7391 14.7642 k = 0.4844 0.0271 0.6124 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -5.8066 -5.8065 1.3619 1.3924 1.7397 1.7737 2.3410 2.3451 12.1122 12.1142 13.6561 13.6579 14.3942 14.3949 14.8102 14.8343 k = 0.4792 0.0361 0.6124 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -5.8092 -5.8091 1.3438 1.3722 1.7356 1.7673 2.3829 2.3878 12.0300 12.0327 13.5959 13.5988 14.4780 14.4790 14.8985 14.9215 k = 0.4740 0.0451 0.6124 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -5.8123 -5.8123 1.3239 1.3505 1.7274 1.7569 2.4349 2.4403 11.9283 11.9315 13.5438 13.5477 14.5686 14.5706 15.0002 15.0221 k = 0.4688 0.0541 0.6124 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8159 -5.8159 1.3033 1.3283 1.7157 1.7433 2.4951 2.5008 11.8111 11.8147 13.5004 13.5051 14.6645 14.6678 15.1125 15.1333 k = 0.4635 0.0631 0.6124 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -5.8198 -5.8198 1.2825 1.3061 1.7015 1.7276 2.5616 2.5673 11.6827 11.6866 13.4645 13.4700 14.7649 14.7697 15.2330 15.2530 k = 0.4583 0.0722 0.6124 ( 1901 PWs) bands (ev): -93.2988 -93.2988 -5.8240 -5.8240 1.2619 1.2844 1.6856 1.7104 2.6324 2.6381 11.5470 11.5511 13.4348 13.4409 14.8692 14.8754 15.3603 15.3795 k = 0.4531 0.0812 0.6124 ( 1897 PWs) bands (ev): -93.2988 -93.2988 -5.8284 -5.8283 1.2418 1.2634 1.6688 1.6926 2.7063 2.7118 11.4075 11.4117 13.4096 13.4163 14.9769 14.9845 15.4929 15.5116 k = 0.4479 0.0902 0.6124 ( 1897 PWs) bands (ev): -93.2988 -93.2988 -5.8328 -5.8328 1.2226 1.2434 1.6518 1.6746 2.7818 2.7871 11.2669 11.2712 13.3881 13.3951 15.0872 15.0961 15.6297 15.6481 k = 0.4427 0.0992 0.6124 ( 1897 PWs) bands (ev): -93.2988 -93.2988 -5.8373 -5.8372 1.2043 1.2244 1.6348 1.6569 2.8578 2.8628 11.1276 11.1319 13.3692 13.3766 15.1996 15.2096 15.7699 15.7880 k = 0.4375 0.1083 0.6124 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.8417 -5.8416 1.1870 1.2066 1.6183 1.6398 2.9333 2.9381 10.9916 10.9959 13.3526 13.3602 15.3134 15.3244 15.9126 15.9306 k = 0.4323 0.1173 0.6124 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.8460 -5.8459 1.1710 1.1900 1.6026 1.6235 3.0074 3.0118 10.8605 10.8647 13.3377 13.3456 15.4278 15.4397 16.0568 16.0749 k = 0.4271 0.1263 0.6124 ( 1897 PWs) bands (ev): -93.2988 -93.2988 -5.8501 -5.8501 1.1561 1.1747 1.5877 1.6082 3.0790 3.0831 10.7357 10.7398 13.3245 13.3325 15.5421 15.5548 16.2017 16.2200 k = 0.4219 0.1353 0.6124 ( 1897 PWs) bands (ev): -93.2988 -93.2988 -5.8540 -5.8540 1.1426 1.1608 1.5740 1.5941 3.1473 3.1511 10.6186 10.6225 13.3127 13.3208 15.6556 15.6689 16.3460 16.3646 k = 0.4167 0.1443 0.6124 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.8576 -5.8576 1.1303 1.1483 1.5614 1.5813 3.2115 3.2149 10.5102 10.5140 13.3022 13.3105 15.7672 15.7809 16.4883 16.5074 k = 0.4115 0.1534 0.6124 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -5.8609 -5.8609 1.1195 1.1372 1.5502 1.5697 3.2706 3.2736 10.4118 10.4154 13.2929 13.3013 15.8759 15.8896 16.6268 16.6466 k = 0.4062 0.1624 0.6124 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -5.8639 -5.8638 1.1100 1.1275 1.5403 1.5596 3.3239 3.3265 10.3242 10.3276 13.2850 13.2935 15.9801 15.9936 16.7591 16.7797 k = 0.4010 0.1714 0.6124 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -5.8664 -5.8664 1.1020 1.1193 1.5318 1.5510 3.3705 3.3727 10.2485 10.2517 13.2782 13.2868 16.0780 16.0909 16.8819 16.9035 k = 0.3958 0.1804 0.6124 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -5.8685 -5.8685 1.0954 1.1126 1.5249 1.5439 3.4098 3.4116 10.1853 10.1883 13.2727 13.2813 16.1669 16.1786 16.9910 17.0138 k = 0.3906 0.1894 0.6124 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -5.8702 -5.8702 1.0903 1.1073 1.5194 1.5383 3.4411 3.4425 10.1353 10.1382 13.2684 13.2770 16.2436 16.2535 17.0814 17.1055 k = 0.3854 0.1985 0.6124 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -5.8714 -5.8714 1.0866 1.1036 1.5155 1.5343 3.4639 3.4648 10.0993 10.1020 13.2653 13.2740 16.3040 16.3113 17.1484 17.1735 k = 0.3802 0.2075 0.6124 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.8721 -5.8721 1.0844 1.1013 1.5131 1.5319 3.4779 3.4783 10.0774 10.0801 13.2635 13.2722 16.3436 16.3475 17.1888 17.2144 k = 0.3750 0.2165 0.6124 ( 1890 PWs) bands (ev): -93.2988 -93.2988 -5.8724 -5.8723 1.0836 1.1006 1.5124 1.5311 3.4827 3.4828 10.0701 10.0728 13.2629 13.2716 16.3584 16.3590 17.2021 17.2279 k = 0.3750 0.2165 0.6124 ( 1890 PWs) bands (ev): -93.2988 -93.2988 -5.8724 -5.8723 1.0836 1.1006 1.5124 1.5311 3.4827 3.4828 10.0701 10.0728 13.2629 13.2716 16.3584 16.3590 17.2021 17.2279 k = 0.3696 0.2134 0.6036 ( 1890 PWs) bands (ev): -93.2988 -93.2988 -5.8806 -5.8805 1.1145 1.1361 1.4524 1.4759 3.5210 3.5211 10.1308 10.1335 13.4736 13.4826 16.2245 16.2251 17.1099 17.1350 k = 0.3643 0.2103 0.5949 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8902 -5.8902 1.1388 1.1665 1.4033 1.4328 3.5606 3.5606 10.1917 10.1945 13.6862 13.6955 16.0913 16.0918 17.0143 17.0381 k = 0.3589 0.2072 0.5861 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.9015 -5.9014 1.1507 1.1835 1.3736 1.4081 3.6013 3.6014 10.2531 10.2559 13.8992 13.9089 15.9588 15.9593 16.9139 16.9356 k = 0.3536 0.2041 0.5774 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.9143 -5.9143 1.1452 1.1769 1.3736 1.4070 3.6433 3.6433 10.3149 10.3178 14.1107 14.1208 15.8272 15.8277 16.8067 16.8256 k = 0.3482 0.2010 0.5686 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.9289 -5.9289 1.1248 1.1508 1.3995 1.4272 3.6863 3.6863 10.3774 10.3803 14.3186 14.3290 15.6967 15.6972 16.6915 16.7072 k = 0.3429 0.1979 0.5599 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.9453 -5.9453 1.0968 1.1173 1.4393 1.4615 3.7303 3.7304 10.4404 10.4434 14.5198 14.5305 15.5675 15.5679 16.5684 16.5809 k = 0.3375 0.1949 0.5511 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.9636 -5.9636 1.0672 1.0836 1.4862 1.5043 3.7754 3.7754 10.5042 10.5072 14.7102 14.7210 15.4397 15.4400 16.4388 16.4490 k = 0.3321 0.1918 0.5424 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.9838 -5.9837 1.0390 1.0526 1.5373 1.5525 3.8213 3.8214 10.5686 10.5716 14.8844 14.8950 15.3134 15.3137 16.3052 16.3143 k = 0.3268 0.1887 0.5336 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -6.0059 -6.0059 1.0141 1.0255 1.5915 1.6045 3.8681 3.8682 10.6338 10.6368 15.0352 15.0453 15.1892 15.1893 16.1703 16.1796 k = 0.3214 0.1856 0.5249 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -6.0300 -6.0300 0.9934 1.0032 1.6480 1.6594 3.9158 3.9158 10.6996 10.7026 15.0627 15.0641 15.1597 15.1663 16.0368 16.0480 k = 0.3161 0.1825 0.5161 ( 1890 PWs) bands (ev): -93.2988 -93.2988 -6.0561 -6.0561 0.9774 0.9860 1.7066 1.7168 3.9641 3.9642 10.7660 10.7691 14.9425 14.9432 15.2422 15.2456 15.9081 15.9230 k = 0.3107 0.1794 0.5074 ( 1891 PWs) bands (ev): -93.2988 -93.2988 -6.0842 -6.0842 0.9664 0.9741 1.7672 1.7763 4.0131 4.0132 10.8330 10.8362 14.8230 14.8236 15.2805 15.2831 15.7885 15.8092 k = 0.3054 0.1763 0.4986 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -6.1143 -6.1142 0.9607 0.9677 1.8295 1.8378 4.0627 4.0627 10.9006 10.9038 14.7052 14.7057 15.2683 15.2785 15.6840 15.7118 k = 0.3000 0.1732 0.4899 ( 1903 PWs) bands (ev): -93.2988 -93.2988 -6.1463 -6.1462 0.9605 0.9668 1.8934 1.9012 4.1128 4.1128 10.9686 10.9718 14.5892 14.5897 15.2131 15.2297 15.5987 15.6324 k = 0.2946 0.1701 0.4811 ( 1903 PWs) bands (ev): -93.2988 -93.2988 -6.1801 -6.1801 0.9658 0.9716 1.9590 1.9662 4.1633 4.1633 11.0369 11.0401 14.4752 14.4756 15.1262 15.1458 15.5299 15.5661 k = 0.2893 0.1670 0.4724 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -6.2158 -6.2158 0.9765 0.9819 2.0262 2.0329 4.2141 4.2142 11.1055 11.1087 14.3631 14.3636 15.0205 15.0405 15.4697 15.5057 k = 0.2839 0.1639 0.4637 ( 1911 PWs) bands (ev): -93.2988 -93.2988 -6.2532 -6.2532 0.9929 0.9979 2.0948 2.1012 4.2652 4.2653 11.1741 11.1773 14.2531 14.2535 14.9050 14.9245 15.4118 15.4468 k = 0.2786 0.1608 0.4549 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -6.2923 -6.2923 1.0147 1.0194 2.1649 2.1709 4.3165 4.3166 11.2426 11.2458 14.1451 14.1456 14.7850 14.8036 15.3537 15.3873 k = 0.2732 0.1577 0.4462 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -6.3329 -6.3329 1.0420 1.0465 2.2364 2.2421 4.3679 4.3679 11.3108 11.3140 14.0393 14.0397 14.6634 14.6812 15.2947 15.3270 k = 0.2679 0.1546 0.4374 ( 1903 PWs) bands (ev): -93.2988 -93.2988 -6.3751 -6.3750 1.0747 1.0789 2.3093 2.3147 4.4193 4.4193 11.3785 11.3817 13.9355 13.9359 14.5419 14.5588 15.2350 15.2661 k = 0.2625 0.1516 0.4287 ( 1903 PWs) bands (ev): -93.2988 -93.2988 -6.4185 -6.4185 1.1128 1.1168 2.3835 2.3887 4.4705 4.4706 11.4455 11.4487 13.8339 13.8343 14.4213 14.4374 15.1749 15.2050 k = 0.2571 0.1485 0.4199 ( 1913 PWs) bands (ev): -93.2988 -93.2988 -6.4632 -6.4632 1.1560 1.1599 2.4589 2.4640 4.5217 4.5217 11.5114 11.5146 13.7344 13.7347 14.3022 14.3177 15.1150 15.1441 k = 0.2518 0.1454 0.4112 ( 1915 PWs) bands (ev): -93.2988 -93.2988 -6.5090 -6.5090 1.2044 1.2081 2.5356 2.5405 4.5725 4.5725 11.5760 11.5791 13.6370 13.6374 14.1851 14.2000 15.0558 15.0839 k = 0.2464 0.1423 0.4024 ( 1915 PWs) bands (ev): -93.2988 -93.2988 -6.5558 -6.5558 1.2578 1.2613 2.6135 2.6182 4.6230 4.6230 11.6389 11.6419 13.5418 13.5421 14.0703 14.0846 14.9976 15.0248 k = 0.2411 0.1392 0.3937 ( 1909 PWs) bands (ev): -93.2988 -93.2988 -6.6035 -6.6035 1.3161 1.3195 2.6925 2.6971 4.6730 4.6731 11.6997 11.7026 13.4487 13.4491 13.9581 13.9718 14.9409 14.9672 k = 0.2357 0.1361 0.3849 ( 1909 PWs) bands (ev): -93.2988 -93.2988 -6.6519 -6.6519 1.3791 1.3824 2.7726 2.7770 4.7225 4.7226 11.7579 11.7607 13.3578 13.3581 13.8485 13.8618 14.8859 14.9114 k = 0.2304 0.1330 0.3762 ( 1909 PWs) bands (ev): -93.2988 -93.2988 -6.7009 -6.7009 1.4468 1.4500 2.8537 2.8580 4.7714 4.7714 11.8132 11.8159 13.2690 13.2694 13.7419 13.7546 14.8331 14.8578 k = 0.2250 0.1299 0.3674 ( 1909 PWs) bands (ev): -93.2988 -93.2988 -6.7504 -6.7503 1.5189 1.5220 2.9358 2.9400 4.8195 4.8196 11.8650 11.8675 13.1824 13.1827 13.6383 13.6506 14.7827 14.8065 k = 0.2196 0.1268 0.3587 ( 1913 PWs) bands (ev): -93.2988 -93.2988 -6.8002 -6.8002 1.5954 1.5985 3.0188 3.0229 4.8668 4.8669 11.9127 11.9150 13.0979 13.0982 13.5380 13.5498 14.7349 14.7578 k = 0.2143 0.1237 0.3499 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -6.8502 -6.8502 1.6761 1.6791 3.1026 3.1067 4.9133 4.9134 11.9557 11.9578 13.0154 13.0157 13.4411 13.4524 14.6899 14.7120 k = 0.2089 0.1206 0.3412 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -6.9004 -6.9004 1.7609 1.7638 3.1872 3.1912 4.9588 4.9589 11.9936 11.9954 12.9351 12.9354 13.3477 13.3586 14.6480 14.6691 k = 0.2036 0.1175 0.3324 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -6.9506 -6.9505 1.8495 1.8524 3.2725 3.2765 5.0033 5.0033 12.0256 12.0272 12.8569 12.8572 13.2581 13.2685 14.6091 14.6292 k = 0.1982 0.1144 0.3237 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -7.0006 -7.0006 1.9420 1.9448 3.3585 3.3624 5.0466 5.0467 12.0513 12.0526 12.7807 12.7810 13.1725 13.1823 14.5731 14.5922 k = 0.1929 0.1113 0.3149 ( 1901 PWs) bands (ev): -93.2988 -93.2988 -7.0504 -7.0504 2.0380 2.0408 3.4450 3.4488 5.0888 5.0888 12.0701 12.0711 12.7067 12.7069 13.0910 13.1002 14.5400 14.5580 k = 0.1875 0.1083 0.3062 ( 1901 PWs) bands (ev): -93.2988 -93.2988 -7.0999 -7.0998 2.1375 2.1403 3.5320 3.5357 5.1297 5.1298 12.0817 12.0824 12.6346 12.6349 13.0136 13.0223 14.5093 14.5262 k = 0.1821 0.1052 0.2974 ( 1901 PWs) bands (ev): -93.2988 -93.2988 -7.1489 -7.1489 2.2404 2.2431 3.6193 3.6230 5.1694 5.1695 12.0858 12.0863 12.5646 12.5649 12.9406 12.9486 14.4806 14.4964 k = 0.1768 0.1021 0.2887 ( 1903 PWs) bands (ev): -93.2988 -93.2988 -7.1974 -7.1974 2.3463 2.3490 3.7069 3.7106 5.2077 5.2078 12.0823 12.0826 12.4966 12.4969 12.8718 12.8791 14.4532 14.4678 k = 0.1714 0.0990 0.2799 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.2452 -7.2452 2.4553 2.4580 3.7947 3.7984 5.2447 5.2447 12.0715 12.0716 12.4306 12.4309 12.8070 12.8137 14.4261 14.4395 k = 0.1661 0.0959 0.2712 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.2924 -7.2924 2.5671 2.5697 3.8826 3.8863 5.2802 5.2803 12.0538 12.0538 12.3667 12.3669 12.7460 12.7519 14.3982 14.4105 k = 0.1607 0.0928 0.2624 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.3388 -7.3388 2.6815 2.6841 3.9705 3.9741 5.3143 5.3144 12.0299 12.0299 12.3047 12.3049 12.6882 12.6933 14.3684 14.3795 k = 0.1554 0.0897 0.2537 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.3842 -7.3842 2.7984 2.8010 4.0582 4.0618 5.3469 5.3470 12.0006 12.0007 12.2447 12.2449 12.6332 12.6375 14.3353 14.3452 k = 0.1500 0.0866 0.2449 ( 1911 PWs) bands (ev): -93.2988 -93.2988 -7.4288 -7.4288 2.9176 2.9202 4.1456 4.1491 5.3781 5.3782 11.9671 11.9671 12.1867 12.1869 12.5802 12.5838 14.2974 14.3061 k = 0.1446 0.0835 0.2362 ( 1911 PWs) bands (ev): -93.2988 -93.2988 -7.4723 -7.4723 3.0389 3.0415 4.2325 4.2361 5.4078 5.4079 11.9303 11.9303 12.1307 12.1309 12.5287 12.5316 14.2535 14.2611 k = 0.1393 0.0804 0.2275 ( 1911 PWs) bands (ev): -93.2988 -93.2988 -7.5147 -7.5147 3.1621 3.1647 4.3190 4.3225 5.4360 5.4361 11.8911 11.8912 12.0766 12.0768 12.4781 12.4803 14.2021 14.2086 k = 0.1339 0.0773 0.2187 ( 1911 PWs) bands (ev): -93.2988 -93.2988 -7.5560 -7.5560 3.2870 3.2896 4.4047 4.4082 5.4628 5.4628 11.8505 11.8506 12.0245 12.0247 12.4280 12.4297 14.1424 14.1479 k = 0.1286 0.0742 0.2100 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.5961 -7.5961 3.4133 3.4159 4.4895 4.4930 5.4880 5.4881 11.8093 11.8094 11.9744 11.9746 12.3781 12.3793 14.0735 14.0781 k = 0.1232 0.0711 0.2012 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.6349 -7.6349 3.5408 3.5434 4.5733 4.5768 5.5119 5.5120 11.7681 11.7683 11.9263 11.9265 12.3282 12.3290 13.9950 13.9988 k = 0.1179 0.0680 0.1925 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.6724 -7.6724 3.6693 3.6719 4.6559 4.6593 5.5343 5.5344 11.7274 11.7277 11.8801 11.8803 12.2780 12.2785 13.9071 13.9100 k = 0.1125 0.0650 0.1837 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.7086 -7.7085 3.7985 3.8010 4.7371 4.7405 5.5553 5.5554 11.6878 11.6882 11.8359 11.8361 12.2277 12.2279 13.8099 13.8122 k = 0.1071 0.0619 0.1750 ( 1903 PWs) bands (ev): -93.2988 -93.2988 -7.7433 -7.7433 3.9280 3.9305 4.8168 4.8201 5.5750 5.5751 11.6496 11.6501 11.7938 11.7939 12.1771 12.1772 13.7043 13.7059 k = 0.1018 0.0588 0.1662 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.7766 -7.7766 4.0574 4.0599 4.8946 4.8979 5.5934 5.5935 11.6132 11.6138 11.7536 11.7537 12.1263 12.1263 13.5912 13.5923 k = 0.0964 0.0557 0.1575 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -7.8084 -7.8084 4.1865 4.1890 4.9704 4.9736 5.6106 5.6107 11.5787 11.5794 11.7154 11.7155 12.0753 12.0754 13.4718 13.4725 k = 0.0911 0.0526 0.1487 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -7.8386 -7.8386 4.3148 4.3173 5.0440 5.0472 5.6265 5.6266 11.5464 11.5473 11.6792 11.6793 12.0244 12.0244 13.3475 13.3478 k = 0.0857 0.0495 0.1400 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -7.8673 -7.8673 4.4419 4.4443 5.1152 5.1183 5.6412 5.6413 11.5165 11.5175 11.6450 11.6451 11.9735 11.9736 13.2196 13.2197 k = 0.0804 0.0464 0.1312 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -7.8945 -7.8945 4.5672 4.5695 5.1837 5.1867 5.6548 5.6549 11.4892 11.4903 11.6128 11.6129 11.9229 11.9230 13.0896 13.0897 k = 0.0750 0.0433 0.1225 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.9199 -7.9199 4.6901 4.6924 5.2493 5.2522 5.6674 5.6675 11.4645 11.4658 11.5827 11.5828 11.8726 11.8728 12.9590 12.9593 k = 0.0696 0.0402 0.1137 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.9438 -7.9438 4.8101 4.8123 5.3118 5.3146 5.6790 5.6791 11.4426 11.4439 11.5546 11.5547 11.8227 11.8231 12.8294 12.8297 k = 0.0643 0.0371 0.1050 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.9660 -7.9660 4.9264 4.9285 5.3709 5.3735 5.6896 5.6898 11.4235 11.4249 11.5286 11.5286 11.7735 11.7741 12.7022 12.7025 k = 0.0589 0.0340 0.0962 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.9864 -7.9864 5.0382 5.0403 5.4263 5.4289 5.6994 5.6996 11.4072 11.4088 11.5046 11.5046 11.7252 11.7259 12.5787 12.5790 k = 0.0536 0.0309 0.0875 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -8.0052 -8.0052 5.1447 5.1467 5.4780 5.4804 5.7085 5.7086 11.3939 11.3955 11.4826 11.4827 11.6778 11.6787 12.4605 12.4608 k = 0.0482 0.0278 0.0787 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -8.0222 -8.0222 5.2450 5.2469 5.5256 5.5278 5.7168 5.7170 11.3835 11.3851 11.4628 11.4628 11.6318 11.6328 12.3488 12.3490 k = 0.0429 0.0247 0.0700 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -8.0375 -8.0375 5.3379 5.3396 5.5690 5.5710 5.7247 5.7249 11.3759 11.3775 11.4450 11.4450 11.5875 11.5886 12.2450 12.2451 k = 0.0375 0.0217 0.0612 ( 1903 PWs) bands (ev): -93.2988 -93.2988 -8.0510 -8.0510 5.4222 5.4237 5.6082 5.6100 5.7322 5.7324 11.3709 11.3725 11.4293 11.4293 11.5453 11.5465 12.1501 12.1502 k = 0.0321 0.0186 0.0525 ( 1905 PWs) bands (ev): -93.2988 -93.2988 -8.0628 -8.0628 5.4964 5.4977 5.6433 5.6448 5.7395 5.7397 11.3684 11.3699 11.4156 11.4157 11.5059 11.5071 12.0653 12.0654 k = 0.0268 0.0155 0.0437 ( 1909 PWs) bands (ev): -93.2988 -93.2988 -8.0727 -8.0727 5.5587 5.5597 5.6749 5.6761 5.7468 5.7469 11.3681 11.3694 11.4041 11.4041 11.4701 11.4712 11.9915 11.9916 k = 0.0214 0.0124 0.0350 ( 1911 PWs) bands (ev): -93.2988 -93.2988 -8.0809 -8.0809 5.6072 5.6079 5.7038 5.7046 5.7540 5.7541 11.3694 11.3706 11.3946 11.3947 11.4388 11.4398 11.9296 11.9296 k = 0.0161 0.0093 0.0262 ( 1915 PWs) bands (ev): -93.2988 -93.2988 -8.0872 -8.0872 5.6410 5.6413 5.7303 5.7306 5.7609 5.7609 11.3716 11.3726 11.3873 11.3875 11.4131 11.4139 11.8803 11.8803 k = 0.0107 0.0062 0.0175 ( 1917 PWs) bands (ev): -93.2988 -93.2988 -8.0918 -8.0918 5.6616 5.6617 5.7523 5.7524 5.7667 5.7668 11.3738 11.3745 11.3823 11.3825 11.3942 11.3947 11.8443 11.8443 k = 0.0054 0.0031 0.0087 ( 1917 PWs) bands (ev): -93.2988 -93.2988 -8.0945 -8.0945 5.6723 5.6723 5.7670 5.7670 5.7707 5.7707 11.3743 11.3745 11.3802 11.3802 11.3832 11.3833 11.8223 11.8223 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -93.2988 -93.2988 -8.0954 -8.0954 5.6756 5.6756 5.7721 5.7721 5.7721 5.7721 11.3735 11.3735 11.3800 11.3800 11.3800 11.3800 11.8149 11.8149 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -93.2988 -93.2988 -8.0954 -8.0954 5.6756 5.6756 5.7721 5.7721 5.7721 5.7721 11.3735 11.3735 11.3800 11.3800 11.3800 11.3800 11.8149 11.8149 k = 0.0088 0.0051 0.0036 ( 1917 PWs) bands (ev): -93.2988 -93.2988 -8.0945 -8.0945 5.6723 5.6723 5.7667 5.7667 5.7709 5.7709 11.3748 11.3748 11.3809 11.3809 11.3821 11.3821 11.8224 11.8224 k = 0.0175 0.0101 0.0072 ( 1917 PWs) bands (ev): -93.2988 -93.2988 -8.0918 -8.0918 5.6611 5.6611 5.7520 5.7520 5.7675 5.7675 11.3773 11.3773 11.3852 11.3852 11.3883 11.3883 11.8446 11.8446 k = 0.0263 0.0152 0.0107 ( 1917 PWs) bands (ev): -93.2988 -93.2988 -8.0872 -8.0872 5.6384 5.6384 5.7319 5.7319 5.7617 5.7617 11.3791 11.3791 11.3947 11.3947 11.3986 11.3986 11.8815 11.8815 k = 0.0351 0.0203 0.0143 ( 1911 PWs) bands (ev): -93.2988 -93.2988 -8.0808 -8.0808 5.5995 5.5995 5.7119 5.7119 5.7538 5.7538 11.3803 11.3803 11.4086 11.4086 11.4129 11.4130 11.9324 11.9324 k = 0.0439 0.0253 0.0179 ( 1911 PWs) bands (ev): -93.2988 -93.2988 -8.0726 -8.0726 5.5431 5.5431 5.6941 5.6941 5.7436 5.7437 11.3814 11.3814 11.4266 11.4266 11.4311 11.4312 11.9968 11.9968 k = 0.0526 0.0304 0.0215 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -8.0626 -8.0626 5.4712 5.4712 5.6775 5.6775 5.7314 5.7314 11.3822 11.3822 11.4483 11.4483 11.4531 11.4532 12.0739 12.0739 k = 0.0614 0.0355 0.0251 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -8.0508 -8.0508 5.3862 5.3862 5.6606 5.6606 5.7172 5.7172 11.3828 11.3828 11.4736 11.4736 11.4786 11.4787 12.1626 12.1626 k = 0.0702 0.0405 0.0286 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -8.0372 -8.0372 5.2900 5.2900 5.6429 5.6429 5.7010 5.7010 11.3831 11.3831 11.5022 11.5022 11.5074 11.5075 12.2619 12.2619 k = 0.0789 0.0456 0.0322 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -8.0219 -8.0219 5.1841 5.1841 5.6240 5.6240 5.6831 5.6831 11.3831 11.3831 11.5339 11.5339 11.5394 11.5395 12.3706 12.3706 k = 0.0877 0.0506 0.0358 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -8.0048 -8.0048 5.0697 5.0697 5.6038 5.6038 5.6635 5.6635 11.3829 11.3829 11.5685 11.5685 11.5742 11.5743 12.4877 12.4877 k = 0.0965 0.0557 0.0394 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -7.9859 -7.9859 4.9479 4.9479 5.5822 5.5822 5.6423 5.6423 11.3825 11.3825 11.6056 11.6056 11.6115 11.6117 12.6121 12.6121 k = 0.1053 0.0608 0.0430 ( 1901 PWs) bands (ev): -93.2988 -93.2988 -7.9654 -7.9654 4.8197 4.8197 5.5594 5.5594 5.6196 5.6196 11.3819 11.3819 11.6449 11.6449 11.6511 11.6513 12.7429 12.7429 k = 0.1140 0.0658 0.0466 ( 1901 PWs) bands (ev): -93.2988 -93.2988 -7.9431 -7.9431 4.6861 4.6861 5.5354 5.5354 5.5957 5.5957 11.3811 11.3811 11.6862 11.6862 11.6926 11.6928 12.8790 12.8790 k = 0.1228 0.0709 0.0501 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -7.9192 -7.9192 4.5478 4.5478 5.5104 5.5104 5.5706 5.5706 11.3801 11.3801 11.7289 11.7289 11.7357 11.7359 13.0196 13.0196 k = 0.1316 0.0760 0.0537 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -7.8937 -7.8937 4.4057 4.4057 5.4843 5.4843 5.5445 5.5445 11.3790 11.3790 11.7729 11.7729 11.7799 11.7801 13.1640 13.1640 k = 0.1404 0.0810 0.0573 ( 1901 PWs) bands (ev): -93.2988 -93.2988 -7.8665 -7.8665 4.2603 4.2603 5.4574 5.4574 5.5175 5.5175 11.3777 11.3777 11.8177 11.8177 11.8249 11.8251 13.3113 13.3113 k = 0.1491 0.0861 0.0609 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.8377 -7.8377 4.1122 4.1122 5.4298 5.4298 5.4897 5.4897 11.3763 11.3763 11.8628 11.8628 11.8703 11.8706 13.4609 13.4609 k = 0.1579 0.0912 0.0645 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.8075 -7.8075 3.9621 3.9621 5.4015 5.4015 5.4613 5.4613 11.3747 11.3747 11.9080 11.9080 11.9157 11.9160 13.6121 13.6121 k = 0.1667 0.0962 0.0680 ( 1913 PWs) bands (ev): -93.2988 -93.2988 -7.7757 -7.7757 3.8104 3.8104 5.3728 5.3728 5.4323 5.4324 11.3730 11.3730 11.9528 11.9528 11.9607 11.9610 13.7644 13.7644 k = 0.1754 0.1013 0.0716 ( 1913 PWs) bands (ev): -93.2988 -93.2988 -7.7424 -7.7424 3.6576 3.6576 5.3436 5.3436 5.4030 5.4030 11.3711 11.3711 11.9968 11.9968 12.0049 12.0052 13.9173 13.9173 k = 0.1842 0.1064 0.0752 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.7078 -7.7078 3.5040 3.5040 5.3142 5.3142 5.3734 5.3734 11.3691 11.3691 12.0397 12.0397 12.0480 12.0483 14.0701 14.0701 k = 0.1930 0.1114 0.0788 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.6718 -7.6718 3.3501 3.3501 5.2846 5.2846 5.3436 5.3436 11.3670 11.3670 12.0810 12.0810 12.0894 12.0897 14.2226 14.2226 k = 0.2018 0.1165 0.0824 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -7.6345 -7.6345 3.1963 3.1963 5.2550 5.2550 5.3137 5.3137 11.3648 11.3648 12.1204 12.1204 12.1289 12.1292 14.3741 14.3741 k = 0.2105 0.1215 0.0859 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -7.5959 -7.5959 3.0428 3.0428 5.2253 5.2253 5.2839 5.2839 11.3625 11.3625 12.1575 12.1575 12.1662 12.1665 14.5243 14.5243 k = 0.2193 0.1266 0.0895 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -7.5562 -7.5562 2.8899 2.8899 5.1958 5.1958 5.2542 5.2542 11.3601 11.3601 12.1922 12.1922 12.2010 12.2013 14.6727 14.6727 k = 0.2281 0.1317 0.0931 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -7.5154 -7.5154 2.7380 2.7380 5.1665 5.1665 5.2247 5.2247 11.3576 11.3576 12.2241 12.2241 12.2329 12.2333 14.8191 14.8191 k = 0.2368 0.1367 0.0967 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -7.4735 -7.4735 2.5872 2.5872 5.1375 5.1375 5.1954 5.1955 11.3550 11.3550 12.2531 12.2531 12.2619 12.2623 14.9630 14.9630 k = 0.2456 0.1418 0.1003 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -7.4307 -7.4307 2.4379 2.4379 5.1089 5.1089 5.1666 5.1666 11.3523 11.3523 12.2790 12.2790 12.2878 12.2882 15.1040 15.1040 k = 0.2544 0.1469 0.1039 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -7.3870 -7.3870 2.2904 2.2904 5.0807 5.0807 5.1382 5.1382 11.3496 11.3496 12.3017 12.3017 12.3106 12.3109 15.2418 15.2418 k = 0.2632 0.1519 0.1074 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -7.3426 -7.3426 2.1448 2.1448 5.0530 5.0530 5.1103 5.1104 11.3468 11.3468 12.3212 12.3212 12.3300 12.3304 15.3761 15.3761 k = 0.2719 0.1570 0.1110 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -7.2975 -7.2975 2.0013 2.0013 5.0259 5.0259 5.0830 5.0831 11.3439 11.3439 12.3376 12.3376 12.3463 12.3466 15.5066 15.5066 k = 0.2807 0.1621 0.1146 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -7.2518 -7.2518 1.8603 1.8603 4.9994 4.9994 5.0564 5.0564 11.3410 11.3410 12.3508 12.3508 12.3595 12.3598 15.6328 15.6328 k = 0.2895 0.1671 0.1182 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.2058 -7.2058 1.7219 1.7219 4.9736 4.9736 5.0304 5.0304 11.3381 11.3381 12.3611 12.3611 12.3696 12.3699 15.7545 15.7545 k = 0.2982 0.1722 0.1218 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.1594 -7.1594 1.5864 1.5864 4.9485 4.9485 5.0052 5.0052 11.3351 11.3351 12.3685 12.3685 12.3769 12.3773 15.8714 15.8714 k = 0.3070 0.1773 0.1253 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -7.1128 -7.1128 1.4539 1.4539 4.9243 4.9243 4.9808 4.9808 11.3322 11.3322 12.3733 12.3733 12.3816 12.3819 15.9832 15.9832 k = 0.3158 0.1823 0.1289 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -7.0663 -7.0663 1.3248 1.3248 4.9008 4.9008 4.9572 4.9572 11.3293 11.3293 12.3756 12.3756 12.3839 12.3842 16.0897 16.0897 k = 0.3246 0.1874 0.1325 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -7.0198 -7.0198 1.1993 1.1993 4.8782 4.8782 4.9344 4.9344 11.3263 11.3263 12.3758 12.3758 12.3839 12.3842 16.1906 16.1906 k = 0.3333 0.1925 0.1361 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.9737 -6.9737 1.0775 1.0775 4.8565 4.8565 4.9126 4.9126 11.3235 11.3235 12.3741 12.3741 12.3821 12.3823 16.2857 16.2857 k = 0.3421 0.1975 0.1397 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.9280 -6.9280 0.9597 0.9597 4.8358 4.8358 4.8917 4.8917 11.3206 11.3206 12.3707 12.3707 12.3785 12.3788 16.3749 16.3749 k = 0.3509 0.2026 0.1432 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.8830 -6.8830 0.8463 0.8463 4.8160 4.8160 4.8718 4.8718 11.3178 11.3178 12.3658 12.3658 12.3736 12.3738 16.4582 16.4582 k = 0.3596 0.2076 0.1468 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -6.8389 -6.8389 0.7373 0.7373 4.7972 4.7972 4.8529 4.8530 11.3151 11.3151 12.3599 12.3599 12.3675 12.3677 16.5354 16.5354 k = 0.3684 0.2127 0.1504 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -6.7958 -6.7958 0.6332 0.6332 4.7794 4.7794 4.8351 4.8351 11.3125 11.3125 12.3530 12.3530 12.3605 12.3607 16.6065 16.6065 k = 0.3772 0.2178 0.1540 ( 1907 PWs) bands (ev): -93.2988 -93.2988 -6.7540 -6.7540 0.5340 0.5340 4.7627 4.7627 4.8183 4.8183 11.3100 11.3100 12.3454 12.3454 12.3528 12.3530 16.6717 16.6717 k = 0.3860 0.2228 0.1576 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -6.7137 -6.7137 0.4402 0.4402 4.7470 4.7470 4.8025 4.8025 11.3076 11.3076 12.3374 12.3374 12.3447 12.3449 16.7310 16.7310 k = 0.3947 0.2279 0.1612 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.6751 -6.6751 0.3519 0.3519 4.7325 4.7325 4.7879 4.7879 11.3053 11.3053 12.3292 12.3292 12.3364 12.3366 16.7846 16.7846 k = 0.4035 0.2330 0.1647 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.6385 -6.6385 0.2694 0.2694 4.7190 4.7190 4.7744 4.7744 11.3032 11.3032 12.3209 12.3209 12.3280 12.3282 16.8327 16.8327 k = 0.4123 0.2380 0.1683 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.6041 -6.6041 0.1930 0.1930 4.7067 4.7067 4.7620 4.7620 11.3011 11.3011 12.3128 12.3128 12.3198 12.3199 16.8755 16.8755 k = 0.4211 0.2431 0.1719 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.5720 -6.5720 0.1229 0.1229 4.6955 4.6955 4.7507 4.7507 11.2993 11.2993 12.3049 12.3049 12.3119 12.3120 16.9132 16.9132 k = 0.4298 0.2482 0.1755 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.5427 -6.5427 0.0594 0.0594 4.6854 4.6854 4.7406 4.7406 11.2976 11.2976 12.2975 12.2975 12.3044 12.3045 16.9461 16.9461 k = 0.4386 0.2532 0.1791 ( 1913 PWs) bands (ev): -93.2988 -93.2988 -6.5161 -6.5161 0.0028 0.0028 4.6765 4.6765 4.7316 4.7316 11.2961 11.2961 12.2907 12.2907 12.2975 12.2976 16.9745 16.9745 k = 0.4474 0.2583 0.1826 ( 1913 PWs) bands (ev): -93.2988 -93.2988 -6.4927 -6.4927 -0.0468 -0.0468 4.6688 4.6688 4.7239 4.7239 11.2948 11.2948 12.2845 12.2845 12.2913 12.2914 16.9985 16.9985 k = 0.4561 0.2634 0.1862 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4725 -6.4725 -0.0892 -0.0892 4.6622 4.6622 4.7173 4.7173 11.2937 11.2937 12.2792 12.2792 12.2859 12.2860 17.0185 17.0185 k = 0.4649 0.2684 0.1898 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4557 -6.4557 -0.1241 -0.1241 4.6569 4.6569 4.7119 4.7119 11.2927 11.2927 12.2747 12.2747 12.2814 12.2814 17.0345 17.0345 k = 0.4737 0.2735 0.1934 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4425 -6.4425 -0.1514 -0.1514 4.6527 4.6527 4.7077 4.7077 11.2920 11.2920 12.2711 12.2711 12.2778 12.2778 17.0468 17.0468 k = 0.4825 0.2785 0.1970 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4330 -6.4330 -0.1710 -0.1710 4.6497 4.6497 4.7047 4.7047 11.2915 11.2915 12.2685 12.2685 12.2752 12.2752 17.0555 17.0555 k = 0.4912 0.2836 0.2005 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -6.4272 -6.4272 -0.1828 -0.1828 4.6479 4.6479 4.7029 4.7029 11.2912 11.2912 12.2669 12.2669 12.2736 12.2736 17.0606 17.0606 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -6.4253 -6.4253 -0.1868 -0.1868 4.6473 4.6473 4.7023 4.7023 11.2910 11.2910 12.2664 12.2664 12.2731 12.2731 17.0623 17.0623 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -6.4253 -6.4253 -0.1868 -0.1868 4.6473 4.6473 4.7023 4.7023 11.2910 11.2910 12.2664 12.2664 12.2731 12.2731 17.0623 17.0623 k = 0.5031 0.2797 0.2092 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -6.4247 -6.4247 -0.1858 -0.1857 4.6437 4.6438 4.6988 4.6988 11.2958 11.2960 12.2662 12.2667 12.2753 12.2754 17.0621 17.0640 k = 0.5062 0.2706 0.2143 ( 1906 PWs) bands (ev): -93.2988 -93.2988 -6.4229 -6.4229 -0.1826 -0.1825 4.6323 4.6326 4.6893 4.6893 11.3101 11.3103 12.2620 12.2630 12.2863 12.2864 17.0632 17.0669 k = 0.5094 0.2616 0.2194 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4198 -6.4198 -0.1774 -0.1773 4.6115 4.6120 4.6756 4.6757 11.3332 11.3335 12.2544 12.2557 12.3061 12.3062 17.0652 17.0707 k = 0.5125 0.2526 0.2245 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4155 -6.4155 -0.1701 -0.1699 4.5797 4.5803 4.6597 4.6598 11.3639 11.3644 12.2450 12.2467 12.3339 12.3340 17.0674 17.0747 k = 0.5156 0.2436 0.2296 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4100 -6.4100 -0.1607 -0.1605 4.5368 4.5376 4.6422 4.6424 11.4004 11.4010 12.2357 12.2378 12.3697 12.3697 17.0690 17.0781 k = 0.5188 0.2345 0.2347 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4033 -6.4033 -0.1493 -0.1490 4.4836 4.4846 4.6230 4.6231 11.4401 11.4407 12.2290 12.2314 12.4131 12.4132 17.0689 17.0796 k = 0.5219 0.2255 0.2398 ( 1906 PWs) bands (ev): -93.2988 -93.2988 -6.3955 -6.3955 -0.1357 -0.1354 4.4213 4.4224 4.6017 4.6018 11.4793 11.4799 12.2285 12.2310 12.4641 12.4641 17.0658 17.0782 k = 0.5250 0.2165 0.2449 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.3865 -6.3864 -0.1201 -0.1197 4.3508 4.3520 4.5782 4.5783 11.5135 11.5139 12.2385 12.2411 12.5224 12.5225 17.0584 17.0723 k = 0.5281 0.2075 0.2501 ( 1903 PWs) bands (ev): -93.2988 -93.2988 -6.3763 -6.3763 -0.1024 -0.1020 4.2728 4.2742 4.5525 4.5526 11.5376 11.5378 12.2639 12.2664 12.5879 12.5879 17.0452 17.0604 k = 0.5312 0.1985 0.2552 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -6.3651 -6.3651 -0.0827 -0.0822 4.1883 4.1897 4.5246 4.5247 11.5478 11.5480 12.3082 12.3105 12.6603 12.6604 17.0248 17.0413 k = 0.5344 0.1894 0.2603 ( 1903 PWs) bands (ev): -93.2988 -93.2988 -6.3529 -6.3529 -0.0609 -0.0603 4.0979 4.0994 4.4948 4.4949 11.5425 11.5431 12.3727 12.3746 12.7395 12.7395 16.9959 17.0135 k = 0.5375 0.1804 0.2654 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.3396 -6.3396 -0.0371 -0.0365 4.0023 4.0040 4.4631 4.4632 11.5230 11.5241 12.4561 12.4576 12.8251 12.8252 16.9574 16.9757 k = 0.5406 0.1714 0.2705 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -6.3254 -6.3253 -0.0113 -0.0106 3.9024 3.9042 4.4298 4.4299 11.4917 11.4932 12.5556 12.5567 12.9170 12.9170 16.9083 16.9272 k = 0.5437 0.1624 0.2756 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -6.3102 -6.3102 0.0165 0.0173 3.7986 3.8006 4.3949 4.3950 11.4514 11.4532 12.6684 12.6692 13.0148 13.0149 16.8481 16.8675 k = 0.5469 0.1534 0.2807 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.2942 -6.2941 0.0463 0.0472 3.6917 3.6938 4.3588 4.3588 11.4043 11.4064 12.7919 12.7924 13.1183 13.1184 16.7769 16.7963 k = 0.5500 0.1443 0.2858 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -6.2773 -6.2773 0.0780 0.0791 3.5822 3.5845 4.3215 4.3216 11.3523 11.3546 12.9243 12.9245 13.2273 13.2274 16.6948 16.7141 k = 0.5531 0.1353 0.2909 ( 1897 PWs) bands (ev): -93.2988 -93.2988 -6.2597 -6.2597 0.1117 0.1129 3.4707 3.4731 4.2833 4.2834 11.2966 11.2991 13.0637 13.0637 13.3414 13.3415 16.6027 16.6217 k = 0.5563 0.1263 0.2960 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -6.2414 -6.2414 0.1473 0.1486 3.3576 3.3602 4.2443 4.2444 11.2383 11.2410 13.2086 13.2089 13.4604 13.4605 16.5017 16.5201 k = 0.5594 0.1173 0.3011 ( 1901 PWs) bands (ev): -93.2988 -93.2988 -6.2225 -6.2225 0.1848 0.1862 3.2436 3.2463 4.2048 4.2049 11.1783 11.1810 13.3580 13.3586 13.5840 13.5841 16.3931 16.4109 k = 0.5625 0.1083 0.3062 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.2031 -6.2031 0.2242 0.2257 3.1289 3.1318 4.1649 4.1649 11.1171 11.1200 13.5108 13.5116 13.7118 13.7119 16.2786 16.2958 k = 0.5656 0.0992 0.3113 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -6.1832 -6.1832 0.2654 0.2671 3.0141 3.0172 4.1247 4.1248 11.0553 11.0582 13.6655 13.6666 13.8435 13.8436 16.1602 16.1766 k = 0.5687 0.0902 0.3164 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -6.1630 -6.1629 0.3084 0.3102 2.8996 2.9029 4.0844 4.0845 10.9933 10.9962 13.8206 13.8222 13.9788 13.9789 16.0401 16.0556 k = 0.5719 0.0812 0.3215 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.1425 -6.1424 0.3531 0.3551 2.7858 2.7893 4.0443 4.0443 10.9314 10.9344 13.9741 13.9760 14.1173 14.1174 15.9211 15.9357 k = 0.5750 0.0722 0.3266 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -6.1218 -6.1218 0.3995 0.4018 2.6731 2.6768 4.0043 4.0044 10.8699 10.8729 14.1226 14.1251 14.2586 14.2587 15.8070 15.8206 k = 0.5781 0.0631 0.3317 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -6.1011 -6.1010 0.4476 0.4501 2.5617 2.5658 3.9647 3.9647 10.8091 10.8121 14.2610 14.2644 14.4023 14.4023 15.7034 15.7160 k = 0.5813 0.0541 0.3368 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -6.0804 -6.0804 0.4972 0.5000 2.4522 2.4566 3.9255 3.9256 10.7491 10.7521 14.3812 14.3856 14.5477 14.5478 15.6193 15.6305 k = 0.5844 0.0451 0.3419 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -6.0599 -6.0599 0.5482 0.5514 2.3449 2.3496 3.8870 3.8870 10.6902 10.6932 14.4703 14.4760 14.6945 14.6946 15.5676 15.5772 k = 0.5875 0.0361 0.3470 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -6.0397 -6.0397 0.6007 0.6042 2.2400 2.2452 3.8491 3.8492 10.6325 10.6355 14.5137 14.5211 14.8421 14.8422 15.5633 15.5711 k = 0.5906 0.0271 0.3521 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -6.0200 -6.0199 0.6543 0.6583 2.1382 2.1439 3.8121 3.8122 10.5761 10.5791 14.5045 14.5132 14.9899 14.9901 15.6135 15.6199 k = 0.5938 0.0180 0.3572 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -6.0008 -6.0007 0.7090 0.7136 2.0396 2.0459 3.7760 3.7761 10.5212 10.5242 14.4496 14.4592 15.1373 15.1375 15.7112 15.7168 k = 0.5969 0.0090 0.3623 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.9823 -5.9823 0.7644 0.7698 1.9448 1.9519 3.7409 3.7409 10.4679 10.4708 14.3634 14.3734 15.2833 15.2836 15.8423 15.8477 k = 0.6000 0.0000 0.3674 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.9647 -5.9646 0.8202 0.8265 1.8544 1.8625 3.7069 3.7069 10.4163 10.4192 14.2580 14.2681 15.4271 15.4274 15.9944 16.0001 k = 0.6031-0.0090 0.3725 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.9481 -5.9480 0.8759 0.8833 1.7691 1.7783 3.6740 3.6741 10.3663 10.3692 14.1415 14.1515 15.5676 15.5680 16.1591 16.1655 k = 0.6062-0.0180 0.3776 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.9326 -5.9326 0.9304 0.9394 1.6899 1.7006 3.6424 3.6425 10.3182 10.3211 14.0188 14.0286 15.7038 15.7042 16.3309 16.3384 k = 0.6094-0.0271 0.3827 ( 1891 PWs) bands (ev): -93.2988 -93.2988 -5.9184 -5.9184 0.9825 0.9934 1.6183 1.6310 3.6122 3.6122 10.2720 10.2748 13.8928 13.9025 15.8343 15.8347 16.5058 16.5149 k = 0.6125-0.0361 0.3878 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.9057 -5.9057 1.0295 1.0429 1.5569 1.5721 3.5833 3.5833 10.2276 10.2304 13.7655 13.7749 15.9578 15.9583 16.6798 16.6912 k = 0.6156-0.0451 0.3929 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.8946 -5.8946 1.0675 1.0837 1.5102 1.5282 3.5558 3.5559 10.1852 10.1880 13.6380 13.6473 16.0731 16.0737 16.8475 16.8621 k = 0.6188-0.0541 0.3980 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -5.8853 -5.8852 1.0910 1.1095 1.4845 1.5048 3.5299 3.5299 10.1448 10.1476 13.5114 13.5204 16.1790 16.1796 17.0003 17.0192 k = 0.6219-0.0631 0.4031 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.8778 -5.8778 1.0960 1.1146 1.4857 1.5062 3.5055 3.5055 10.1065 10.1092 13.3861 13.3950 16.2743 16.2749 17.1238 17.1473 k = 0.6250-0.0722 0.4082 ( 1890 PWs) bands (ev): -93.2988 -93.2988 -5.8724 -5.8723 1.0836 1.1006 1.5124 1.5311 3.4827 3.4828 10.0701 10.0728 13.2629 13.2716 16.3584 16.3590 17.2021 17.2279 k = 0.6250-0.0722 0.4082 ( 1890 PWs) bands (ev): -93.2988 -93.2988 -5.8724 -5.8723 1.0836 1.1006 1.5124 1.5311 3.4827 3.4828 10.0701 10.0728 13.2629 13.2716 16.3584 16.3590 17.2021 17.2279 k = 0.6198-0.0692 0.4168 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.8721 -5.8721 1.0844 1.1013 1.5131 1.5319 3.4779 3.4783 10.0774 10.0801 13.2635 13.2722 16.3436 16.3475 17.1888 17.2144 k = 0.6146-0.0662 0.4253 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -5.8714 -5.8714 1.0866 1.1036 1.5155 1.5343 3.4639 3.4648 10.0993 10.1020 13.2653 13.2740 16.3040 16.3113 17.1484 17.1735 k = 0.6094-0.0631 0.4338 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -5.8702 -5.8702 1.0903 1.1073 1.5194 1.5383 3.4411 3.4425 10.1353 10.1382 13.2684 13.2770 16.2436 16.2535 17.0814 17.1055 k = 0.6042-0.0601 0.4423 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -5.8685 -5.8685 1.0954 1.1126 1.5249 1.5439 3.4098 3.4116 10.1853 10.1883 13.2727 13.2813 16.1669 16.1786 16.9910 17.0138 k = 0.5990-0.0571 0.4508 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -5.8664 -5.8664 1.1020 1.1193 1.5318 1.5510 3.3705 3.3727 10.2485 10.2517 13.2782 13.2868 16.0780 16.0909 16.8819 16.9035 k = 0.5938-0.0541 0.4593 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -5.8639 -5.8638 1.1100 1.1275 1.5403 1.5596 3.3239 3.3265 10.3242 10.3276 13.2850 13.2935 15.9801 15.9936 16.7591 16.7797 k = 0.5885-0.0511 0.4678 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -5.8609 -5.8609 1.1195 1.1372 1.5502 1.5697 3.2706 3.2736 10.4118 10.4154 13.2929 13.3013 15.8759 15.8896 16.6268 16.6466 k = 0.5833-0.0481 0.4763 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.8576 -5.8576 1.1303 1.1483 1.5614 1.5813 3.2115 3.2149 10.5102 10.5140 13.3022 13.3105 15.7672 15.7809 16.4883 16.5074 k = 0.5781-0.0451 0.4848 ( 1897 PWs) bands (ev): -93.2988 -93.2988 -5.8540 -5.8540 1.1426 1.1608 1.5740 1.5941 3.1473 3.1511 10.6186 10.6225 13.3127 13.3208 15.6556 15.6689 16.3460 16.3646 k = 0.5729-0.0421 0.4933 ( 1897 PWs) bands (ev): -93.2988 -93.2988 -5.8501 -5.8501 1.1561 1.1747 1.5877 1.6082 3.0790 3.0831 10.7357 10.7398 13.3245 13.3325 15.5421 15.5548 16.2017 16.2200 k = 0.5677-0.0391 0.5018 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.8460 -5.8459 1.1710 1.1900 1.6026 1.6235 3.0074 3.0118 10.8605 10.8647 13.3377 13.3456 15.4278 15.4397 16.0568 16.0749 k = 0.5625-0.0361 0.5103 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.8417 -5.8416 1.1870 1.2066 1.6183 1.6398 2.9333 2.9381 10.9916 10.9959 13.3526 13.3602 15.3134 15.3244 15.9126 15.9306 k = 0.5573-0.0331 0.5188 ( 1897 PWs) bands (ev): -93.2988 -93.2988 -5.8373 -5.8372 1.2043 1.2244 1.6348 1.6569 2.8578 2.8628 11.1276 11.1319 13.3692 13.3766 15.1996 15.2096 15.7699 15.7880 k = 0.5521-0.0301 0.5273 ( 1897 PWs) bands (ev): -93.2988 -93.2988 -5.8328 -5.8328 1.2226 1.2434 1.6518 1.6746 2.7818 2.7871 11.2669 11.2712 13.3881 13.3951 15.0872 15.0961 15.6297 15.6481 k = 0.5469-0.0271 0.5358 ( 1897 PWs) bands (ev): -93.2988 -93.2988 -5.8284 -5.8283 1.2418 1.2634 1.6688 1.6926 2.7063 2.7118 11.4075 11.4117 13.4096 13.4163 14.9769 14.9845 15.4929 15.5116 k = 0.5417-0.0241 0.5443 ( 1901 PWs) bands (ev): -93.2988 -93.2988 -5.8240 -5.8240 1.2619 1.2844 1.6856 1.7104 2.6324 2.6381 11.5470 11.5511 13.4348 13.4409 14.8692 14.8754 15.3603 15.3795 k = 0.5365-0.0210 0.5528 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -5.8198 -5.8198 1.2825 1.3061 1.7015 1.7276 2.5616 2.5673 11.6827 11.6866 13.4645 13.4700 14.7649 14.7697 15.2330 15.2530 k = 0.5312-0.0180 0.5613 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8159 -5.8159 1.3033 1.3283 1.7157 1.7433 2.4951 2.5008 11.8111 11.8147 13.5004 13.5051 14.6645 14.6678 15.1125 15.1333 k = 0.5260-0.0150 0.5698 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -5.8123 -5.8123 1.3239 1.3505 1.7274 1.7569 2.4349 2.4403 11.9283 11.9315 13.5438 13.5477 14.5686 14.5706 15.0002 15.0221 k = 0.5208-0.0120 0.5784 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -5.8092 -5.8091 1.3438 1.3722 1.7356 1.7673 2.3829 2.3878 12.0300 12.0327 13.5959 13.5988 14.4780 14.4790 14.8985 14.9215 k = 0.5156-0.0090 0.5869 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -5.8066 -5.8065 1.3619 1.3924 1.7397 1.7737 2.3410 2.3451 12.1122 12.1142 13.6561 13.6579 14.3942 14.3949 14.8102 14.8343 k = 0.5104-0.0060 0.5954 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8046 -5.8045 1.3770 1.4096 1.7397 1.7762 2.3111 2.3140 12.1716 12.1729 13.7197 13.7204 14.3212 14.3221 14.7391 14.7642 k = 0.5052-0.0030 0.6039 ( 1888 PWs) bands (ev): -93.2988 -93.2988 -5.8033 -5.8033 1.3875 1.4219 1.7373 1.7757 2.2938 2.2954 12.2069 12.2076 13.7735 13.7737 14.2684 14.2692 14.6902 14.7162 k = 0.5000 0.0000 0.6124 ( 1888 PWs) bands (ev): -93.2988 -93.2988 -5.8029 -5.8028 1.3914 1.4265 1.7356 1.7748 2.2887 2.2890 12.2185 12.2186 13.7957 13.7963 14.2490 14.2498 14.6716 14.6980 k = 0.5000 0.0000 0.6124 ( 1888 PWs) bands (ev): -93.2988 -93.2988 -5.8029 -5.8028 1.3914 1.4265 1.7356 1.7748 2.2887 2.2890 12.2185 12.2186 13.7957 13.7963 14.2490 14.2498 14.6716 14.6980 k = 0.5000 0.0061 0.6037 ( 1890 PWs) bands (ev): -93.2988 -93.2988 -5.8037 -5.8037 1.3894 1.4245 1.7313 1.7703 2.2976 2.2998 12.2159 12.2167 13.7798 13.7805 14.2645 14.2650 14.6791 14.7052 k = 0.5000 0.0123 0.5950 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8062 -5.8061 1.3829 1.4176 1.7206 1.7591 2.3248 2.3288 12.2089 12.2105 13.7377 13.7386 14.3051 14.3055 14.7018 14.7271 k = 0.5000 0.0184 0.5863 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.8103 -5.8102 1.3704 1.4039 1.7092 1.7463 2.3667 2.3721 12.1977 12.2002 13.6794 13.6805 14.3600 14.3618 14.7394 14.7633 k = 0.5000 0.0246 0.5776 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8160 -5.8159 1.3501 1.3812 1.7030 1.7374 2.4195 2.4258 12.1827 12.1860 13.6123 13.6137 14.4221 14.4259 14.7917 14.8136 k = 0.5000 0.0307 0.5689 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.8232 -5.8232 1.3211 1.3485 1.7059 1.7366 2.4800 2.4869 12.1645 12.1684 13.5409 13.5426 14.4875 14.4938 14.8577 14.8772 k = 0.5000 0.0369 0.5603 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.8320 -5.8319 1.2835 1.3068 1.7192 1.7456 2.5459 2.5532 12.1434 12.1480 13.4675 13.4695 14.5548 14.5637 14.9358 14.9528 k = 0.5000 0.0430 0.5516 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8422 -5.8421 1.2389 1.2583 1.7420 1.7646 2.6156 2.6232 12.1201 12.1252 13.3935 13.3959 14.6235 14.6351 15.0243 15.0388 k = 0.5000 0.0491 0.5429 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8537 -5.8537 1.1890 1.2051 1.7732 1.7925 2.6881 2.6958 12.0952 12.1008 13.3198 13.3225 14.6940 14.7080 15.1215 15.1338 k = 0.5000 0.0553 0.5342 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -5.8666 -5.8666 1.1356 1.1489 1.8117 1.8284 2.7625 2.7703 12.0691 12.0751 13.2467 13.2498 14.7663 14.7826 15.2260 15.2362 k = 0.5000 0.0614 0.5255 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -5.8807 -5.8806 1.0798 1.0910 1.8566 1.8712 2.8382 2.8461 12.0425 12.0489 13.1748 13.1782 14.8406 14.8589 15.3365 15.3450 k = 0.5000 0.0676 0.5168 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -5.8959 -5.8958 1.0228 1.0322 1.9073 1.9202 2.9149 2.9227 12.0158 12.0225 13.1041 13.1079 14.9166 14.9368 15.4521 15.4593 k = 0.5000 0.0737 0.5081 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -5.9121 -5.9121 0.9652 0.9732 1.9634 1.9750 2.9921 2.9999 11.9895 11.9964 13.0350 13.0390 14.9938 15.0157 15.5723 15.5782 k = 0.5000 0.0798 0.4995 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -5.9293 -5.9292 0.9075 0.9144 2.0244 2.0349 3.0695 3.0772 11.9640 11.9711 12.9673 12.9717 15.0715 15.0951 15.6965 15.7013 k = 0.5000 0.0860 0.4908 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -5.9472 -5.9472 0.8501 0.8561 2.0900 2.0997 3.1468 3.1545 11.9396 11.9468 12.9014 12.9060 15.1486 15.1740 15.8240 15.8280 k = 0.5000 0.0921 0.4821 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -5.9659 -5.9659 0.7933 0.7986 2.1600 2.1690 3.2239 3.2316 11.9167 11.9240 12.8371 12.8420 15.2237 15.2507 15.9542 15.9576 k = 0.5000 0.0983 0.4734 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.9852 -5.9852 0.7373 0.7420 2.2341 2.2425 3.3005 3.3081 11.8955 11.9028 12.7745 12.7798 15.2940 15.3228 16.0859 16.0887 k = 0.5000 0.1044 0.4647 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -6.0051 -6.0050 0.6824 0.6865 2.3119 2.3198 3.3764 3.3840 11.8762 11.8836 12.7138 12.7193 15.3556 15.3860 16.2151 16.2182 k = 0.5000 0.1106 0.4560 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -6.0253 -6.0253 0.6286 0.6322 2.3934 2.4009 3.4515 3.4589 11.8591 11.8665 12.6549 12.6607 15.4011 15.4330 16.3234 16.3305 k = 0.5000 0.1167 0.4473 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -6.0458 -6.0458 0.5761 0.5793 2.4782 2.4853 3.5255 3.5328 11.8443 11.8516 12.5978 12.6039 15.4185 15.4508 16.3303 16.3457 k = 0.5000 0.1228 0.4386 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -6.0666 -6.0665 0.5249 0.5278 2.5660 2.5728 3.5983 3.6055 11.8319 11.8390 12.5426 12.5490 15.3915 15.4223 16.2645 16.2763 k = 0.5000 0.1290 0.4300 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.0874 -6.0874 0.4751 0.4778 2.6566 2.6632 3.6697 3.6768 11.8219 11.8288 12.4892 12.4960 15.3096 15.3367 16.2320 16.2368 k = 0.5000 0.1351 0.4213 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.1082 -6.1082 0.4269 0.4293 2.7498 2.7561 3.7395 3.7465 11.8142 11.8209 12.4379 12.4451 15.1793 15.2027 16.2418 16.2440 k = 0.5000 0.1413 0.4126 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.1290 -6.1290 0.3803 0.3824 2.8452 2.8513 3.8077 3.8146 11.8090 11.8153 12.3886 12.3961 15.0174 15.0381 16.2787 16.2861 k = 0.5000 0.1474 0.4039 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.1496 -6.1495 0.3353 0.3372 2.9426 2.9485 3.8740 3.8808 11.8058 11.8117 12.3414 12.3494 14.8385 14.8573 16.3341 16.3452 k = 0.5000 0.1536 0.3952 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.1699 -6.1699 0.2920 0.2937 3.0416 3.0473 3.9384 3.9450 11.8046 11.8100 12.2965 12.3050 14.6515 14.6691 16.3992 16.4131 k = 0.5000 0.1597 0.3865 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.1899 -6.1898 0.2503 0.2519 3.1419 3.1474 4.0007 4.0071 11.8048 11.8096 12.2542 12.2633 14.4618 14.4784 16.4691 16.4848 k = 0.5000 0.1658 0.3778 ( 1906 PWs) bands (ev): -93.2988 -93.2988 -6.2094 -6.2094 0.2105 0.2119 3.2431 3.2485 4.0607 4.0670 11.8058 11.8100 12.2149 12.2246 14.2725 14.2883 16.5404 16.5576 k = 0.5000 0.1720 0.3692 ( 1906 PWs) bands (ev): -93.2988 -93.2988 -6.2285 -6.2284 0.1724 0.1737 3.3450 3.3502 4.1185 4.1245 11.8069 11.8102 12.1792 12.1896 14.0857 14.1009 16.6110 16.6292 k = 0.5000 0.1781 0.3605 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -6.2469 -6.2469 0.1361 0.1373 3.4470 3.4521 4.1738 4.1796 11.8066 11.8090 12.1481 12.1591 13.9031 13.9177 16.6794 16.6983 k = 0.5000 0.1843 0.3518 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -6.2648 -6.2648 0.1017 0.1027 3.5488 3.5537 4.2265 4.2321 11.8034 11.8050 12.1226 12.1343 13.7260 13.7400 16.7442 16.7635 k = 0.5000 0.1904 0.3431 ( 1906 PWs) bands (ev): -93.2988 -93.2988 -6.2819 -6.2819 0.0691 0.0701 3.6498 3.6546 4.2766 4.2820 11.7956 11.7963 12.1041 12.1163 13.5555 13.5689 16.8045 16.8240 k = 0.5000 0.1965 0.3344 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -6.2983 -6.2983 0.0384 0.0393 3.7496 3.7542 4.3240 4.3292 11.7816 11.7818 12.0935 12.1059 13.3926 13.4055 16.8594 16.8788 k = 0.5000 0.2027 0.3257 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -6.3139 -6.3139 0.0096 0.0104 3.8477 3.8521 4.3687 4.3736 11.7606 11.7609 12.0909 12.1031 13.2385 13.2508 16.9081 16.9273 k = 0.5000 0.2088 0.3170 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -6.3286 -6.3286 -0.0173 -0.0166 3.9434 3.9476 4.4105 4.4151 11.7330 11.7336 12.0955 12.1072 13.0943 13.1059 16.9503 16.9690 k = 0.5000 0.2150 0.3084 ( 1906 PWs) bands (ev): -93.2988 -93.2988 -6.3424 -6.3424 -0.0422 -0.0416 4.0362 4.0401 4.4495 4.4538 11.6998 11.7005 12.1057 12.1167 12.9607 12.9717 16.9856 17.0037 k = 0.5000 0.2211 0.2997 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.3553 -6.3553 -0.0652 -0.0646 4.1253 4.1290 4.4856 4.4895 11.6618 11.6627 12.1200 12.1302 12.8389 12.8491 17.0140 17.0312 k = 0.5000 0.2273 0.2910 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.3671 -6.3671 -0.0863 -0.0857 4.2101 4.2135 4.5187 4.5224 11.6201 11.6211 12.1371 12.1463 12.7294 12.7388 17.0358 17.0520 k = 0.5000 0.2334 0.2823 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.3780 -6.3780 -0.1053 -0.1048 4.2897 4.2930 4.5490 4.5523 11.5757 11.5767 12.1556 12.1640 12.6328 12.6412 17.0514 17.0664 k = 0.5000 0.2395 0.2736 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.3878 -6.3878 -0.1224 -0.1220 4.3635 4.3665 4.5764 4.5793 11.5298 11.5308 12.1747 12.1822 12.5489 12.5564 17.0616 17.0752 k = 0.5000 0.2457 0.2649 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.3965 -6.3965 -0.1375 -0.1371 4.4306 4.4332 4.6010 4.6035 11.4839 11.4848 12.1935 12.2001 12.4777 12.4842 17.0672 17.0793 k = 0.5000 0.2518 0.2562 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4041 -6.4041 -0.1506 -0.1503 4.4901 4.4923 4.6229 4.6250 11.4395 11.4402 12.2114 12.2171 12.4184 12.4240 17.0694 17.0799 k = 0.5000 0.2580 0.2476 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4105 -6.4105 -0.1616 -0.1614 4.5409 4.5427 4.6425 4.6442 11.3982 11.3989 12.2276 12.2324 12.3704 12.3749 17.0691 17.0779 k = 0.5000 0.2641 0.2389 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4158 -6.4158 -0.1707 -0.1705 4.5821 4.5834 4.6602 4.6613 11.3619 11.3623 12.2417 12.2456 12.3326 12.3362 17.0673 17.0745 k = 0.5000 0.2702 0.2302 ( 1906 PWs) bands (ev): -93.2988 -93.2988 -6.4200 -6.4200 -0.1777 -0.1776 4.6127 4.6135 4.6761 4.6767 11.3318 11.3322 12.2532 12.2561 12.3044 12.3070 17.0651 17.0705 k = 0.5000 0.2764 0.2215 ( 1906 PWs) bands (ev): -93.2988 -93.2988 -6.4229 -6.4229 -0.1828 -0.1827 4.6328 4.6332 4.6896 4.6898 11.3095 11.3097 12.2616 12.2635 12.2851 12.2868 17.0632 17.0668 k = 0.5000 0.2825 0.2128 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -6.4247 -6.4247 -0.1858 -0.1857 4.6438 4.6440 4.6989 4.6990 11.2957 11.2958 12.2661 12.2669 12.2749 12.2755 17.0621 17.0639 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -6.4253 -6.4253 -0.1868 -0.1868 4.6473 4.6473 4.7023 4.7023 11.2910 11.2910 12.2664 12.2664 12.2731 12.2731 17.0623 17.0623 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -93.2988 -93.2988 -6.4253 -6.4253 -0.1868 -0.1868 4.6473 4.6473 4.7023 4.7023 11.2910 11.2910 12.2664 12.2664 12.2731 12.2731 17.0623 17.0623 k = 0.4969 0.2869 0.2143 ( 1910 PWs) bands (ev): -93.2988 -93.2988 -6.4247 -6.4247 -0.1858 -0.1857 4.6437 4.6438 4.6988 4.6988 11.2958 11.2960 12.2662 12.2667 12.2753 12.2754 17.0621 17.0640 k = 0.4938 0.2851 0.2245 ( 1906 PWs) bands (ev): -93.2988 -93.2988 -6.4229 -6.4229 -0.1826 -0.1825 4.6323 4.6326 4.6893 4.6893 11.3101 11.3103 12.2620 12.2630 12.2863 12.2864 17.0632 17.0669 k = 0.4906 0.2833 0.2347 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4198 -6.4198 -0.1774 -0.1773 4.6115 4.6120 4.6756 4.6757 11.3332 11.3335 12.2544 12.2557 12.3061 12.3062 17.0652 17.0707 k = 0.4875 0.2815 0.2449 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4155 -6.4155 -0.1701 -0.1699 4.5797 4.5803 4.6597 4.6598 11.3639 11.3644 12.2450 12.2467 12.3339 12.3340 17.0674 17.0747 k = 0.4844 0.2797 0.2552 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4100 -6.4100 -0.1607 -0.1605 4.5368 4.5376 4.6422 4.6424 11.4004 11.4010 12.2357 12.2378 12.3697 12.3697 17.0690 17.0781 k = 0.4813 0.2778 0.2654 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.4033 -6.4033 -0.1493 -0.1490 4.4836 4.4846 4.6230 4.6231 11.4401 11.4407 12.2290 12.2314 12.4131 12.4132 17.0689 17.0796 k = 0.4781 0.2760 0.2756 ( 1906 PWs) bands (ev): -93.2988 -93.2988 -6.3955 -6.3955 -0.1357 -0.1354 4.4213 4.4224 4.6017 4.6018 11.4793 11.4799 12.2285 12.2310 12.4641 12.4641 17.0658 17.0782 k = 0.4750 0.2742 0.2858 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.3865 -6.3864 -0.1201 -0.1197 4.3508 4.3520 4.5782 4.5783 11.5135 11.5139 12.2385 12.2411 12.5224 12.5225 17.0584 17.0723 k = 0.4719 0.2724 0.2960 ( 1903 PWs) bands (ev): -93.2988 -93.2988 -6.3763 -6.3763 -0.1024 -0.1020 4.2728 4.2742 4.5525 4.5526 11.5376 11.5378 12.2639 12.2664 12.5879 12.5879 17.0452 17.0604 k = 0.4688 0.2706 0.3062 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -6.3651 -6.3651 -0.0827 -0.0822 4.1883 4.1897 4.5246 4.5247 11.5478 11.5480 12.3082 12.3105 12.6603 12.6604 17.0248 17.0413 k = 0.4656 0.2688 0.3164 ( 1903 PWs) bands (ev): -93.2988 -93.2988 -6.3529 -6.3529 -0.0609 -0.0603 4.0979 4.0994 4.4948 4.4949 11.5425 11.5431 12.3727 12.3746 12.7395 12.7395 16.9959 17.0135 k = 0.4625 0.2670 0.3266 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.3396 -6.3396 -0.0371 -0.0365 4.0023 4.0040 4.4631 4.4632 11.5230 11.5241 12.4561 12.4576 12.8251 12.8252 16.9574 16.9757 k = 0.4594 0.2652 0.3368 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -6.3254 -6.3253 -0.0113 -0.0106 3.9024 3.9042 4.4298 4.4299 11.4917 11.4932 12.5556 12.5567 12.9170 12.9170 16.9083 16.9272 k = 0.4562 0.2634 0.3470 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -6.3102 -6.3102 0.0165 0.0173 3.7986 3.8006 4.3949 4.3950 11.4514 11.4532 12.6684 12.6692 13.0148 13.0149 16.8481 16.8675 k = 0.4531 0.2616 0.3572 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.2942 -6.2941 0.0463 0.0472 3.6917 3.6938 4.3588 4.3588 11.4043 11.4064 12.7919 12.7924 13.1183 13.1184 16.7769 16.7963 k = 0.4500 0.2598 0.3674 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -6.2773 -6.2773 0.0780 0.0791 3.5822 3.5845 4.3215 4.3216 11.3523 11.3546 12.9243 12.9245 13.2273 13.2274 16.6948 16.7141 k = 0.4469 0.2580 0.3776 ( 1897 PWs) bands (ev): -93.2988 -93.2988 -6.2597 -6.2597 0.1117 0.1129 3.4707 3.4731 4.2833 4.2834 11.2966 11.2991 13.0637 13.0637 13.3415 13.3415 16.6027 16.6217 k = 0.4437 0.2562 0.3878 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -6.2414 -6.2414 0.1473 0.1486 3.3576 3.3602 4.2443 4.2444 11.2383 11.2410 13.2086 13.2089 13.4604 13.4605 16.5017 16.5201 k = 0.4406 0.2544 0.3980 ( 1901 PWs) bands (ev): -93.2988 -93.2988 -6.2225 -6.2225 0.1848 0.1862 3.2436 3.2463 4.2048 4.2049 11.1783 11.1810 13.3580 13.3586 13.5840 13.5841 16.3931 16.4109 k = 0.4375 0.2526 0.4082 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -6.2031 -6.2031 0.2242 0.2257 3.1289 3.1318 4.1649 4.1649 11.1171 11.1200 13.5108 13.5116 13.7118 13.7119 16.2786 16.2958 k = 0.4344 0.2508 0.4185 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -6.1832 -6.1832 0.2654 0.2671 3.0141 3.0172 4.1247 4.1248 11.0553 11.0582 13.6655 13.6666 13.8435 13.8436 16.1602 16.1766 k = 0.4313 0.2490 0.4287 ( 1899 PWs) bands (ev): -93.2988 -93.2988 -6.1630 -6.1629 0.3084 0.3102 2.8996 2.9029 4.0844 4.0845 10.9933 10.9962 13.8206 13.8222 13.9788 13.9789 16.0401 16.0556 k = 0.4281 0.2472 0.4389 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -6.1425 -6.1424 0.3531 0.3551 2.7858 2.7893 4.0443 4.0443 10.9314 10.9343 13.9741 13.9760 14.1173 14.1174 15.9211 15.9357 k = 0.4250 0.2454 0.4491 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -6.1218 -6.1218 0.3995 0.4018 2.6731 2.6768 4.0043 4.0044 10.8699 10.8729 14.1226 14.1251 14.2586 14.2587 15.8070 15.8206 k = 0.4219 0.2436 0.4593 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -6.1011 -6.1010 0.4476 0.4501 2.5617 2.5658 3.9647 3.9647 10.8091 10.8121 14.2610 14.2644 14.4023 14.4023 15.7034 15.7160 k = 0.4188 0.2418 0.4695 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -6.0804 -6.0804 0.4972 0.5000 2.4522 2.4566 3.9255 3.9256 10.7491 10.7521 14.3812 14.3856 14.5477 14.5478 15.6193 15.6305 k = 0.4156 0.2400 0.4797 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -6.0599 -6.0599 0.5482 0.5514 2.3449 2.3496 3.8870 3.8870 10.6902 10.6932 14.4703 14.4760 14.6945 14.6946 15.5676 15.5772 k = 0.4125 0.2382 0.4899 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -6.0397 -6.0397 0.6007 0.6042 2.2400 2.2452 3.8491 3.8492 10.6325 10.6355 14.5137 14.5211 14.8421 14.8422 15.5633 15.5711 k = 0.4094 0.2364 0.5001 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -6.0200 -6.0199 0.6543 0.6583 2.1382 2.1439 3.8121 3.8122 10.5761 10.5791 14.5045 14.5132 14.9899 14.9901 15.6135 15.6199 k = 0.4062 0.2345 0.5103 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -6.0008 -6.0007 0.7090 0.7136 2.0396 2.0459 3.7760 3.7761 10.5212 10.5242 14.4496 14.4592 15.1373 15.1375 15.7112 15.7168 k = 0.4031 0.2327 0.5205 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.9823 -5.9823 0.7644 0.7698 1.9448 1.9519 3.7409 3.7409 10.4679 10.4708 14.3634 14.3734 15.2833 15.2836 15.8423 15.8477 k = 0.4000 0.2309 0.5307 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.9647 -5.9646 0.8202 0.8265 1.8544 1.8625 3.7069 3.7069 10.4163 10.4192 14.2580 14.2681 15.4271 15.4274 15.9944 16.0001 k = 0.3969 0.2291 0.5409 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.9481 -5.9480 0.8759 0.8833 1.7691 1.7783 3.6740 3.6741 10.3663 10.3692 14.1415 14.1515 15.5676 15.5680 16.1591 16.1655 k = 0.3937 0.2273 0.5511 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.9326 -5.9326 0.9304 0.9394 1.6899 1.7006 3.6424 3.6425 10.3182 10.3211 14.0188 14.0286 15.7038 15.7042 16.3309 16.3384 k = 0.3906 0.2255 0.5613 ( 1891 PWs) bands (ev): -93.2988 -93.2988 -5.9184 -5.9184 0.9825 0.9934 1.6183 1.6310 3.6122 3.6122 10.2720 10.2748 13.8928 13.9025 15.8343 15.8347 16.5059 16.5149 k = 0.3875 0.2237 0.5715 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.9057 -5.9057 1.0295 1.0429 1.5569 1.5721 3.5833 3.5833 10.2276 10.2304 13.7655 13.7749 15.9578 15.9583 16.6798 16.6912 k = 0.3844 0.2219 0.5818 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.8946 -5.8946 1.0675 1.0837 1.5102 1.5282 3.5558 3.5559 10.1852 10.1880 13.6380 13.6473 16.0731 16.0737 16.8475 16.8621 k = 0.3812 0.2201 0.5920 ( 1895 PWs) bands (ev): -93.2988 -93.2988 -5.8853 -5.8852 1.0910 1.1095 1.4845 1.5048 3.5299 3.5299 10.1448 10.1476 13.5114 13.5204 16.1790 16.1796 17.0003 17.0192 k = 0.3781 0.2183 0.6022 ( 1893 PWs) bands (ev): -93.2988 -93.2988 -5.8778 -5.8778 1.0960 1.1146 1.4857 1.5062 3.5055 3.5055 10.1065 10.1092 13.3861 13.3950 16.2743 16.2749 17.1238 17.1473 k = 0.3750 0.2165 0.6124 ( 1890 PWs) bands (ev): -93.2988 -93.2988 -5.8724 -5.8723 1.0836 1.1006 1.5124 1.5311 3.4827 3.4828 10.0701 10.0728 13.2629 13.2716 16.3584 16.3590 17.2021 17.2279 k = 0.6250-0.0722 0.4082 ( 1890 PWs) bands (ev): -93.2988 -93.2988 -5.8724 -5.8723 1.0836 1.1006 1.5124 1.5311 3.4827 3.4828 10.0701 10.0728 13.2629 13.2716 16.3584 16.3590 17.2021 17.2279 k = 0.6198-0.0812 0.4082 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.8657 -5.8657 1.0510 1.0646 1.5772 1.5927 3.4467 3.4467 10.0113 10.0139 13.0609 13.0692 16.4889 16.4895 17.2896 17.3158 k = 0.6146-0.0902 0.4082 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -5.8603 -5.8602 1.0174 1.0287 1.6468 1.6599 3.4119 3.4120 9.9526 9.9551 12.8627 12.8708 16.6195 16.6202 17.3756 17.4020 k = 0.6094-0.0992 0.4082 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -5.8559 -5.8559 0.9841 0.9936 1.7201 1.7315 3.3785 3.3786 9.8936 9.8961 12.6692 12.6770 16.7500 16.7507 17.4604 17.4868 k = 0.6042-0.1083 0.4082 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8525 -5.8525 0.9514 0.9595 1.7964 1.8064 3.3464 3.3464 9.8344 9.8368 12.4812 12.4887 16.8801 16.8809 17.5441 17.5704 k = 0.5990-0.1173 0.4082 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8500 -5.8500 0.9197 0.9268 1.8751 1.8841 3.3156 3.3157 9.7746 9.7769 12.2996 12.3068 17.0096 17.0104 17.6268 17.6529 k = 0.5938-0.1263 0.4082 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8483 -5.8483 0.8893 0.8954 1.9558 1.9638 3.2863 3.2864 9.7141 9.7163 12.1250 12.1319 17.1380 17.1389 17.7083 17.7341 k = 0.5885-0.1353 0.4082 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -5.8473 -5.8473 0.8602 0.8656 2.0378 2.0451 3.2584 3.2585 9.6528 9.6549 11.9583 11.9648 17.2651 17.2660 17.7885 17.8139 k = 0.5833-0.1443 0.4082 ( 1894 PWs) bands (ev): -93.2988 -93.2988 -5.8469 -5.8469 0.8326 0.8373 2.1206 2.1273 3.2319 3.2320 9.5905 9.5924 11.8000 11.8062 17.3904 17.3914 17.8672 17.8921 k = 0.5781-0.1534 0.4082 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -5.8470 -5.8470 0.8065 0.8107 2.2037 2.2098 3.2070 3.2071 9.5272 9.5290 11.6509 11.6567 17.5135 17.5145 17.9442 17.9685 k = 0.5729-0.1624 0.4082 ( 1898 PWs) bands (ev): -93.2988 -93.2988 -5.8475 -5.8475 0.7819 0.7856 2.2865 2.2921 3.1835 3.1836 9.4628 9.4644 11.5115 11.5170 17.6337 17.6349 18.0191 18.0427 k = 0.5677-0.1714 0.4082 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -5.8484 -5.8484 0.7589 0.7623 2.3683 2.3735 3.1616 3.1617 9.3976 9.3990 11.3824 11.3875 17.7507 17.7519 18.0918 18.1144 k = 0.5625-0.1804 0.4082 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -5.8495 -5.8495 0.7376 0.7406 2.4486 2.4533 3.1413 3.1414 9.3318 9.3330 11.2638 11.2685 17.8637 17.8650 18.1617 18.1834 k = 0.5573-0.1894 0.4082 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -5.8509 -5.8508 0.7179 0.7206 2.5266 2.5309 3.1225 3.1227 9.2658 9.2669 11.1560 11.1603 17.9720 17.9735 18.2286 18.2491 k = 0.5521-0.1985 0.4082 ( 1904 PWs) bands (ev): -93.2988 -93.2988 -5.8523 -5.8523 0.6999 0.7022 2.6015 2.6054 3.1054 3.1056 9.2005 9.2014 11.0591 11.0629 18.0749 18.0765 18.2921 18.3113 k = 0.5469-0.2075 0.4082 ( 1908 PWs) bands (ev): -93.2988 -93.2988 -5.8538 -5.8538 0.6836 0.6856 2.6726 2.6762 3.0899 3.0901 9.1365 9.1372 10.9729 10.9763 18.1716 18.1735 18.3518 18.3694 k = 0.5417-0.2165 0.4082 ( 1906 PWs) bands (ev): -93.2988 -93.2988 -5.8553 -5.8552 0.6690 0.6708 2.7390 2.7423 3.0761 3.0763 9.0749 9.0755 10.8973 10.9003 18.2613 18.2634 18.4073 18.4230 k = 0.5365-0.2255 0.4082 ( 1906 PWs) bands (ev): -93.2988 -93.2988 -5.8567 -5.8567 0.6561 0.6576 2.8000 2.8029 3.0641 3.0643 9.0168 9.0172 10.8319 10.8345 18.3429 18.3453 18.4581 18.4718 k = 0.5312-0.2345 0.4082 ( 1902 PWs) bands (ev): -93.2988 -93.2988 -5.8580 -5.8580 0.6449 0.6462 2.8546 2.8572 3.0539 3.0541 8.9634 8.9637 10.7764 10.7785 18.4157 18.4185 18.5038 18.5152 k = 0.5260-0.2436 0.4082 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -5.8592 -5.8592 0.6355 0.6365 2.9020 2.9042 3.0457 3.0460 8.9157 8.9159 10.7303 10.7321 18.4784 18.4818 18.5443 18.5530 k = 0.5208-0.2526 0.4082 ( 1900 PWs) bands (ev): -93.2988 -93.2988 -5.8603 -5.8602 0.6277 0.6286 2.9410 2.9428 3.0399 3.0402 8.8750 8.8751 10.6932 10.6946 18.5302 18.5343 18.5792 18.5850 k = 0.5156-0.2616 0.4082 ( 1896 PWs) bands (ev): -93.2988 -93.2988 -5.8611 -5.8611 0.6217 0.6224 2.9703 2.9718 3.0371 3.0374 8.8422 8.8423 10.6648 10.6659 18.5701 18.5747 18.6083 18.6113 k = 0.5104-0.2706 0.4082 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8617 -5.8617 0.6175 0.6179 2.9889 2.9898 3.0382 3.0384 8.8181 8.8181 10.6448 10.6455 18.5979 18.6022 18.6309 18.6317 k = 0.5052-0.2797 0.4082 ( 1892 PWs) bands (ev): -93.2988 -93.2988 -5.8620 -5.8620 0.6150 0.6152 2.9975 2.9979 3.0416 3.0417 8.8034 8.8034 10.6330 10.6334 18.6145 18.6170 18.6454 18.6454 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): -93.2988 -93.2988 -5.8622 -5.8622 0.6142 0.6142 2.9998 2.9998 3.0435 3.0435 8.7985 8.7985 10.6292 10.6292 18.6208 18.6208 18.6503 18.6503 Writing output data file BeS.save init_run : 2.51s CPU 13.33s WALL ( 1 calls) electrons : 102.97s CPU 107.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.26s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 102.89s CPU 106.65s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.99s WALL ( 1 calls) v_h : 0.01s CPU 0.05s WALL ( 1 calls) v_xc : 0.06s CPU 0.59s WALL ( 1 calls) newd : 0.19s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 435 calls) cegterg : 87.36s CPU 88.10s WALL ( 566 calls) Called by sum_band: Called by *egterg: h_psi : 55.01s CPU 58.79s WALL ( 9565 calls) s_psi : 2.09s CPU 3.13s WALL ( 9565 calls) g_psi : 0.06s CPU 0.13s WALL ( 8564 calls) cdiaghg : 18.96s CPU 17.81s WALL ( 8999 calls) cegterg:over : 7.33s CPU 5.33s WALL ( 8564 calls) cegterg:upda : 0.22s CPU 0.97s WALL ( 8564 calls) cegterg:last : 0.20s CPU 0.75s WALL ( 2078 calls) Called by h_psi: h_psi:vloc : 47.70s CPU 52.04s WALL ( 9565 calls) h_psi:vnl : 7.30s CPU 6.59s WALL ( 9565 calls) add_vuspsi : 0.68s CPU 2.14s WALL ( 9565 calls) General routines calbec : 6.60s CPU 4.39s WALL ( 9565 calls) fft : 0.10s CPU 1.10s WALL ( 19 calls) ffts : 0.01s CPU 0.09s WALL ( 4 calls) fftw : 44.11s CPU 47.59s WALL ( 457352 calls) interpolate : 0.02s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 1.14s WALL ( 870 calls) Parallel routines fft_scatter : 31.58s CPU 33.32s WALL ( 457375 calls) PWSCF : 2m 8.77s CPU 3m 9.01s WALL This run was terminated on: 8:33:56 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=