Program PWSCF v.5.1.1 starts on 27Aug2015 at 3:28:54 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: ./BP.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 17 9 2 324 121 19 Max 18 10 3 328 130 25 Sum 823 433 139 15593 5961 1067 bravais-lattice index = 14 lattice parameter (alat) = 6.0532 a.u. unit-cell volume = 156.8307 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.053158 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 B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for P read from file: /home/autes/Pseudo/P.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: 782f947b08835e3b01fca5c2a6fe19fa Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 B 3.00 10.81100 B( 1.00) P 5.00 30.97380 P( 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= 461 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021692 k( 2) = ( 0.0071429 -0.0041239 0.0058321), wk = 0.0021692 k( 3) = ( 0.0142857 -0.0082479 0.0116642), wk = 0.0021692 k( 4) = ( 0.0214286 -0.0123718 0.0174964), wk = 0.0021692 k( 5) = ( 0.0285714 -0.0164957 0.0233285), wk = 0.0021692 k( 6) = ( 0.0357143 -0.0206197 0.0291606), wk = 0.0021692 k( 7) = ( 0.0428571 -0.0247436 0.0349927), wk = 0.0021692 k( 8) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0021692 k( 9) = ( 0.0571429 -0.0329914 0.0466569), wk = 0.0021692 k( 10) = ( 0.0642857 -0.0371154 0.0524891), wk = 0.0021692 k( 11) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0021692 k( 12) = ( 0.0785714 -0.0453632 0.0641533), wk = 0.0021692 k( 13) = ( 0.0857143 -0.0494872 0.0699854), wk = 0.0021692 k( 14) = ( 0.0928571 -0.0536111 0.0758175), wk = 0.0021692 k( 15) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0021692 k( 16) = ( 0.1071429 -0.0618590 0.0874818), wk = 0.0021692 k( 17) = ( 0.1142857 -0.0659829 0.0933139), wk = 0.0021692 k( 18) = ( 0.1214286 -0.0701068 0.0991460), wk = 0.0021692 k( 19) = ( 0.1285714 -0.0742307 0.1049781), wk = 0.0021692 k( 20) = ( 0.1357143 -0.0783547 0.1108103), wk = 0.0021692 k( 21) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0021692 k( 22) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0021692 k( 23) = ( 0.1571429 -0.0907265 0.1283066), wk = 0.0021692 k( 24) = ( 0.1642857 -0.0948504 0.1341387), wk = 0.0021692 k( 25) = ( 0.1714286 -0.0989743 0.1399708), wk = 0.0021692 k( 26) = ( 0.1785714 -0.1030983 0.1458030), wk = 0.0021692 k( 27) = ( 0.1857143 -0.1072222 0.1516351), wk = 0.0021692 k( 28) = ( 0.1928571 -0.1113461 0.1574672), wk = 0.0021692 k( 29) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0021692 k( 30) = ( 0.2071429 -0.1195940 0.1691314), wk = 0.0021692 k( 31) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0021692 k( 32) = ( 0.2214286 -0.1278418 0.1807957), wk = 0.0021692 k( 33) = ( 0.2285714 -0.1319658 0.1866278), wk = 0.0021692 k( 34) = ( 0.2357143 -0.1360897 0.1924599), wk = 0.0021692 k( 35) = ( 0.2428571 -0.1402136 0.1982920), wk = 0.0021692 k( 36) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0021692 k( 37) = ( 0.2571429 -0.1484615 0.2099563), wk = 0.0021692 k( 38) = ( 0.2642857 -0.1525854 0.2157884), wk = 0.0021692 k( 39) = ( 0.2714286 -0.1567094 0.2216205), wk = 0.0021692 k( 40) = ( 0.2785714 -0.1608333 0.2274526), wk = 0.0021692 k( 41) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0021692 k( 42) = ( 0.2928571 -0.1690811 0.2391169), wk = 0.0021692 k( 43) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0021692 k( 44) = ( 0.3071429 -0.1773290 0.2507811), wk = 0.0021692 k( 45) = ( 0.3142857 -0.1814529 0.2566132), wk = 0.0021692 k( 46) = ( 0.3214286 -0.1855769 0.2624453), wk = 0.0021692 k( 47) = ( 0.3285714 -0.1897008 0.2682774), wk = 0.0021692 k( 48) = ( 0.3357143 -0.1938247 0.2741096), wk = 0.0021692 k( 49) = ( 0.3428571 -0.1979487 0.2799417), wk = 0.0021692 k( 50) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0021692 k( 51) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0021692 k( 52) = ( 0.3642857 -0.2103205 0.2974380), wk = 0.0021692 k( 53) = ( 0.3714286 -0.2144444 0.3032702), wk = 0.0021692 k( 54) = ( 0.3785714 -0.2185683 0.3091023), wk = 0.0021692 k( 55) = ( 0.3857143 -0.2226922 0.3149344), wk = 0.0021692 k( 56) = ( 0.3928571 -0.2268162 0.3207665), wk = 0.0021692 k( 57) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0021692 k( 58) = ( 0.4071429 -0.2350640 0.3324308), wk = 0.0021692 k( 59) = ( 0.4142857 -0.2391880 0.3382629), wk = 0.0021692 k( 60) = ( 0.4214286 -0.2433119 0.3440950), wk = 0.0021692 k( 61) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0021692 k( 62) = ( 0.4357143 -0.2515598 0.3557592), wk = 0.0021692 k( 63) = ( 0.4428571 -0.2556837 0.3615913), wk = 0.0021692 k( 64) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0021692 k( 65) = ( 0.4571429 -0.2639316 0.3732556), wk = 0.0021692 k( 66) = ( 0.4642857 -0.2680555 0.3790877), wk = 0.0021692 k( 67) = ( 0.4714286 -0.2721794 0.3849198), wk = 0.0021692 k( 68) = ( 0.4785714 -0.2763033 0.3907519), wk = 0.0021692 k( 69) = ( 0.4857143 -0.2804273 0.3965841), wk = 0.0021692 k( 70) = ( 0.4928571 -0.2845512 0.4024162), wk = 0.0021692 k( 71) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021692 k( 72) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021692 k( 73) = ( 0.5000000 -0.2804273 0.4140804), wk = 0.0021692 k( 74) = ( 0.5000000 -0.2721794 0.4199125), wk = 0.0021692 k( 75) = ( 0.5000000 -0.2639316 0.4257446), wk = 0.0021692 k( 76) = ( 0.5000000 -0.2556837 0.4315768), wk = 0.0021692 k( 77) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0021692 k( 78) = ( 0.5000000 -0.2391880 0.4432410), wk = 0.0021692 k( 79) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0021692 k( 80) = ( 0.5000000 -0.2226922 0.4549052), wk = 0.0021692 k( 81) = ( 0.5000000 -0.2144444 0.4607374), wk = 0.0021692 k( 82) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0021692 k( 83) = ( 0.5000000 -0.1979487 0.4724016), wk = 0.0021692 k( 84) = ( 0.5000000 -0.1897008 0.4782337), wk = 0.0021692 k( 85) = ( 0.5000000 -0.1814529 0.4840658), wk = 0.0021692 k( 86) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0021692 k( 87) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0021692 k( 88) = ( 0.5000000 -0.1567094 0.5015622), wk = 0.0021692 k( 89) = ( 0.5000000 -0.1484615 0.5073943), wk = 0.0021692 k( 90) = ( 0.5000000 -0.1402136 0.5132264), wk = 0.0021692 k( 91) = ( 0.5000000 -0.1319658 0.5190585), wk = 0.0021692 k( 92) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0021692 k( 93) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0021692 k( 94) = ( 0.5000000 -0.1072222 0.5365549), wk = 0.0021692 k( 95) = ( 0.5000000 -0.0989743 0.5423870), wk = 0.0021692 k( 96) = ( 0.5000000 -0.0907265 0.5482191), wk = 0.0021692 k( 97) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0021692 k( 98) = ( 0.5000000 -0.0742307 0.5598834), wk = 0.0021692 k( 99) = ( 0.5000000 -0.0659829 0.5657155), wk = 0.0021692 k( 100) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0021692 k( 101) = ( 0.5000000 -0.0494872 0.5773797), wk = 0.0021692 k( 102) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0021692 k( 103) = ( 0.5000000 -0.0329914 0.5890440), wk = 0.0021692 k( 104) = ( 0.5000000 -0.0247436 0.5948761), wk = 0.0021692 k( 105) = ( 0.5000000 -0.0164957 0.6007082), wk = 0.0021692 k( 106) = ( 0.5000000 -0.0082479 0.6065403), wk = 0.0021692 k( 107) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021692 k( 108) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021692 k( 109) = ( 0.4950000 0.0086603 0.6123724), wk = 0.0021692 k( 110) = ( 0.4900000 0.0173205 0.6123724), wk = 0.0021692 k( 111) = ( 0.4850000 0.0259808 0.6123724), wk = 0.0021692 k( 112) = ( 0.4800000 0.0346410 0.6123724), wk = 0.0021692 k( 113) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0021692 k( 114) = ( 0.4700000 0.0519615 0.6123724), wk = 0.0021692 k( 115) = ( 0.4650000 0.0606218 0.6123724), wk = 0.0021692 k( 116) = ( 0.4600000 0.0692820 0.6123724), wk = 0.0021692 k( 117) = ( 0.4550000 0.0779423 0.6123724), wk = 0.0021692 k( 118) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0021692 k( 119) = ( 0.4450000 0.0952628 0.6123724), wk = 0.0021692 k( 120) = ( 0.4400000 0.1039230 0.6123724), wk = 0.0021692 k( 121) = ( 0.4350000 0.1125833 0.6123724), wk = 0.0021692 k( 122) = ( 0.4300000 0.1212436 0.6123724), wk = 0.0021692 k( 123) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0021692 k( 124) = ( 0.4200000 0.1385641 0.6123724), wk = 0.0021692 k( 125) = ( 0.4150000 0.1472243 0.6123724), wk = 0.0021692 k( 126) = ( 0.4100000 0.1558846 0.6123724), wk = 0.0021692 k( 127) = ( 0.4050000 0.1645448 0.6123724), wk = 0.0021692 k( 128) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0021692 k( 129) = ( 0.3950000 0.1818653 0.6123724), wk = 0.0021692 k( 130) = ( 0.3900000 0.1905256 0.6123724), wk = 0.0021692 k( 131) = ( 0.3850000 0.1991858 0.6123724), wk = 0.0021692 k( 132) = ( 0.3800000 0.2078461 0.6123724), wk = 0.0021692 k( 133) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021692 k( 134) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021692 k( 135) = ( 0.3699324 0.2135806 0.6040971), wk = 0.0021692 k( 136) = ( 0.3648649 0.2106548 0.5958218), wk = 0.0021692 k( 137) = ( 0.3597973 0.2077291 0.5875465), wk = 0.0021692 k( 138) = ( 0.3547297 0.2048033 0.5792712), wk = 0.0021692 k( 139) = ( 0.3496622 0.2018775 0.5709959), wk = 0.0021692 k( 140) = ( 0.3445946 0.1989518 0.5627206), wk = 0.0021692 k( 141) = ( 0.3395270 0.1960260 0.5544453), wk = 0.0021692 k( 142) = ( 0.3344595 0.1931003 0.5461700), wk = 0.0021692 k( 143) = ( 0.3293919 0.1901745 0.5378947), wk = 0.0021692 k( 144) = ( 0.3243243 0.1872487 0.5296194), wk = 0.0021692 k( 145) = ( 0.3192568 0.1843230 0.5213441), wk = 0.0021692 k( 146) = ( 0.3141892 0.1813972 0.5130688), wk = 0.0021692 k( 147) = ( 0.3091216 0.1784715 0.5047935), wk = 0.0021692 k( 148) = ( 0.3040541 0.1755457 0.4965182), wk = 0.0021692 k( 149) = ( 0.2989865 0.1726199 0.4882429), wk = 0.0021692 k( 150) = ( 0.2939189 0.1696942 0.4799676), wk = 0.0021692 k( 151) = ( 0.2888514 0.1667684 0.4716923), wk = 0.0021692 k( 152) = ( 0.2837838 0.1638426 0.4634170), wk = 0.0021692 k( 153) = ( 0.2787162 0.1609169 0.4551417), wk = 0.0021692 k( 154) = ( 0.2736486 0.1579911 0.4468664), wk = 0.0021692 k( 155) = ( 0.2685811 0.1550654 0.4385911), wk = 0.0021692 k( 156) = ( 0.2635135 0.1521396 0.4303158), wk = 0.0021692 k( 157) = ( 0.2584459 0.1492138 0.4220405), wk = 0.0021692 k( 158) = ( 0.2533784 0.1462881 0.4137652), wk = 0.0021692 k( 159) = ( 0.2483108 0.1433623 0.4054899), wk = 0.0021692 k( 160) = ( 0.2432432 0.1404366 0.3972146), wk = 0.0021692 k( 161) = ( 0.2381757 0.1375108 0.3889392), wk = 0.0021692 k( 162) = ( 0.2331081 0.1345850 0.3806639), wk = 0.0021692 k( 163) = ( 0.2280405 0.1316593 0.3723886), wk = 0.0021692 k( 164) = ( 0.2229730 0.1287335 0.3641133), wk = 0.0021692 k( 165) = ( 0.2179054 0.1258077 0.3558380), wk = 0.0021692 k( 166) = ( 0.2128378 0.1228820 0.3475627), wk = 0.0021692 k( 167) = ( 0.2077703 0.1199562 0.3392874), wk = 0.0021692 k( 168) = ( 0.2027027 0.1170305 0.3310121), wk = 0.0021692 k( 169) = ( 0.1976351 0.1141047 0.3227368), wk = 0.0021692 k( 170) = ( 0.1925676 0.1111789 0.3144615), wk = 0.0021692 k( 171) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0021692 k( 172) = ( 0.1824324 0.1053274 0.2979109), wk = 0.0021692 k( 173) = ( 0.1773649 0.1024016 0.2896356), wk = 0.0021692 k( 174) = ( 0.1722973 0.0994759 0.2813603), wk = 0.0021692 k( 175) = ( 0.1672297 0.0965501 0.2730850), wk = 0.0021692 k( 176) = ( 0.1621622 0.0936244 0.2648097), wk = 0.0021692 k( 177) = ( 0.1570946 0.0906986 0.2565344), wk = 0.0021692 k( 178) = ( 0.1520270 0.0877728 0.2482591), wk = 0.0021692 k( 179) = ( 0.1469595 0.0848471 0.2399838), wk = 0.0021692 k( 180) = ( 0.1418919 0.0819213 0.2317085), wk = 0.0021692 k( 181) = ( 0.1368243 0.0789956 0.2234332), wk = 0.0021692 k( 182) = ( 0.1317568 0.0760698 0.2151579), wk = 0.0021692 k( 183) = ( 0.1266892 0.0731440 0.2068826), wk = 0.0021692 k( 184) = ( 0.1216216 0.0702183 0.1986073), wk = 0.0021692 k( 185) = ( 0.1165541 0.0672925 0.1903320), wk = 0.0021692 k( 186) = ( 0.1114865 0.0643668 0.1820567), wk = 0.0021692 k( 187) = ( 0.1064189 0.0614410 0.1737814), wk = 0.0021692 k( 188) = ( 0.1013514 0.0585152 0.1655061), wk = 0.0021692 k( 189) = ( 0.0962838 0.0555895 0.1572308), wk = 0.0021692 k( 190) = ( 0.0912162 0.0526637 0.1489555), wk = 0.0021692 k( 191) = ( 0.0861486 0.0497379 0.1406802), wk = 0.0021692 k( 192) = ( 0.0810811 0.0468122 0.1324048), wk = 0.0021692 k( 193) = ( 0.0760135 0.0438864 0.1241296), wk = 0.0021692 k( 194) = ( 0.0709459 0.0409607 0.1158542), wk = 0.0021692 k( 195) = ( 0.0658784 0.0380349 0.1075789), wk = 0.0021692 k( 196) = ( 0.0608108 0.0351091 0.0993036), wk = 0.0021692 k( 197) = ( 0.0557432 0.0321834 0.0910283), wk = 0.0021692 k( 198) = ( 0.0506757 0.0292576 0.0827530), wk = 0.0021692 k( 199) = ( 0.0456081 0.0263319 0.0744777), wk = 0.0021692 k( 200) = ( 0.0405405 0.0234061 0.0662024), wk = 0.0021692 k( 201) = ( 0.0354730 0.0204803 0.0579271), wk = 0.0021692 k( 202) = ( 0.0304054 0.0175546 0.0496518), wk = 0.0021692 k( 203) = ( 0.0253378 0.0146288 0.0413765), wk = 0.0021692 k( 204) = ( 0.0202703 0.0117030 0.0331012), wk = 0.0021692 k( 205) = ( 0.0152027 0.0087773 0.0248259), wk = 0.0021692 k( 206) = ( 0.0101351 0.0058515 0.0165506), wk = 0.0021692 k( 207) = ( 0.0050676 0.0029258 0.0082753), wk = 0.0021692 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021692 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021692 k( 210) = ( 0.0081967 0.0047324 0.0033463), wk = 0.0021692 k( 211) = ( 0.0163934 0.0094648 0.0066926), wk = 0.0021692 k( 212) = ( 0.0245902 0.0141971 0.0100389), wk = 0.0021692 k( 213) = ( 0.0327869 0.0189295 0.0133852), wk = 0.0021692 k( 214) = ( 0.0409836 0.0236619 0.0167315), wk = 0.0021692 k( 215) = ( 0.0491803 0.0283943 0.0200778), wk = 0.0021692 k( 216) = ( 0.0573770 0.0331267 0.0234241), wk = 0.0021692 k( 217) = ( 0.0655738 0.0378590 0.0267704), wk = 0.0021692 k( 218) = ( 0.0737705 0.0425914 0.0301167), wk = 0.0021692 k( 219) = ( 0.0819672 0.0473238 0.0334630), wk = 0.0021692 k( 220) = ( 0.0901639 0.0520562 0.0368093), wk = 0.0021692 k( 221) = ( 0.0983607 0.0567886 0.0401556), wk = 0.0021692 k( 222) = ( 0.1065574 0.0615209 0.0435019), wk = 0.0021692 k( 223) = ( 0.1147541 0.0662533 0.0468482), wk = 0.0021692 k( 224) = ( 0.1229508 0.0709857 0.0501945), wk = 0.0021692 k( 225) = ( 0.1311475 0.0757181 0.0535408), wk = 0.0021692 k( 226) = ( 0.1393443 0.0804504 0.0568871), wk = 0.0021692 k( 227) = ( 0.1475410 0.0851828 0.0602334), wk = 0.0021692 k( 228) = ( 0.1557377 0.0899152 0.0635796), wk = 0.0021692 k( 229) = ( 0.1639344 0.0946476 0.0669260), wk = 0.0021692 k( 230) = ( 0.1721312 0.0993800 0.0702722), wk = 0.0021692 k( 231) = ( 0.1803279 0.1041123 0.0736185), wk = 0.0021692 k( 232) = ( 0.1885246 0.1088447 0.0769648), wk = 0.0021692 k( 233) = ( 0.1967213 0.1135771 0.0803111), wk = 0.0021692 k( 234) = ( 0.2049180 0.1183095 0.0836574), wk = 0.0021692 k( 235) = ( 0.2131147 0.1230419 0.0870037), wk = 0.0021692 k( 236) = ( 0.2213115 0.1277742 0.0903500), wk = 0.0021692 k( 237) = ( 0.2295082 0.1325066 0.0936963), wk = 0.0021692 k( 238) = ( 0.2377049 0.1372390 0.0970426), wk = 0.0021692 k( 239) = ( 0.2459016 0.1419714 0.1003889), wk = 0.0021692 k( 240) = ( 0.2540984 0.1467038 0.1037352), wk = 0.0021692 k( 241) = ( 0.2622951 0.1514361 0.1070815), wk = 0.0021692 k( 242) = ( 0.2704918 0.1561685 0.1104278), wk = 0.0021692 k( 243) = ( 0.2786885 0.1609009 0.1137741), wk = 0.0021692 k( 244) = ( 0.2868852 0.1656333 0.1171204), wk = 0.0021692 k( 245) = ( 0.2950820 0.1703657 0.1204667), wk = 0.0021692 k( 246) = ( 0.3032787 0.1750980 0.1238130), wk = 0.0021692 k( 247) = ( 0.3114754 0.1798304 0.1271593), wk = 0.0021692 k( 248) = ( 0.3196721 0.1845628 0.1305056), wk = 0.0021692 k( 249) = ( 0.3278688 0.1892952 0.1338519), wk = 0.0021692 k( 250) = ( 0.3360656 0.1940275 0.1371982), wk = 0.0021692 k( 251) = ( 0.3442623 0.1987599 0.1405445), wk = 0.0021692 k( 252) = ( 0.3524590 0.2034923 0.1438908), wk = 0.0021692 k( 253) = ( 0.3606557 0.2082247 0.1472371), wk = 0.0021692 k( 254) = ( 0.3688525 0.2129571 0.1505834), wk = 0.0021692 k( 255) = ( 0.3770492 0.2176894 0.1539297), wk = 0.0021692 k( 256) = ( 0.3852459 0.2224218 0.1572760), wk = 0.0021692 k( 257) = ( 0.3934426 0.2271542 0.1606223), wk = 0.0021692 k( 258) = ( 0.4016393 0.2318866 0.1639686), wk = 0.0021692 k( 259) = ( 0.4098361 0.2366190 0.1673149), wk = 0.0021692 k( 260) = ( 0.4180328 0.2413513 0.1706612), wk = 0.0021692 k( 261) = ( 0.4262295 0.2460837 0.1740075), wk = 0.0021692 k( 262) = ( 0.4344262 0.2508161 0.1773538), wk = 0.0021692 k( 263) = ( 0.4426230 0.2555485 0.1807001), wk = 0.0021692 k( 264) = ( 0.4508197 0.2602809 0.1840464), wk = 0.0021692 k( 265) = ( 0.4590164 0.2650132 0.1873927), wk = 0.0021692 k( 266) = ( 0.4672131 0.2697456 0.1907390), wk = 0.0021692 k( 267) = ( 0.4754098 0.2744780 0.1940853), wk = 0.0021692 k( 268) = ( 0.4836066 0.2792104 0.1974316), wk = 0.0021692 k( 269) = ( 0.4918033 0.2839428 0.2007778), wk = 0.0021692 k( 270) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021692 k( 271) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021692 k( 272) = ( 0.5029070 0.2802834 0.2088712), wk = 0.0021692 k( 273) = ( 0.5058139 0.2718917 0.2136183), wk = 0.0021692 k( 274) = ( 0.5087209 0.2635000 0.2183654), wk = 0.0021692 k( 275) = ( 0.5116279 0.2551083 0.2231124), wk = 0.0021692 k( 276) = ( 0.5145349 0.2467165 0.2278595), wk = 0.0021692 k( 277) = ( 0.5174419 0.2383248 0.2326066), wk = 0.0021692 k( 278) = ( 0.5203488 0.2299331 0.2373537), wk = 0.0021692 k( 279) = ( 0.5232558 0.2215414 0.2421007), wk = 0.0021692 k( 280) = ( 0.5261628 0.2131497 0.2468478), wk = 0.0021692 k( 281) = ( 0.5290698 0.2047579 0.2515949), wk = 0.0021692 k( 282) = ( 0.5319767 0.1963662 0.2563419), wk = 0.0021692 k( 283) = ( 0.5348837 0.1879745 0.2610890), wk = 0.0021692 k( 284) = ( 0.5377907 0.1795828 0.2658361), wk = 0.0021692 k( 285) = ( 0.5406977 0.1711911 0.2705832), wk = 0.0021692 k( 286) = ( 0.5436047 0.1627994 0.2753302), wk = 0.0021692 k( 287) = ( 0.5465116 0.1544076 0.2800773), wk = 0.0021692 k( 288) = ( 0.5494186 0.1460159 0.2848244), wk = 0.0021692 k( 289) = ( 0.5523256 0.1376242 0.2895715), wk = 0.0021692 k( 290) = ( 0.5552326 0.1292325 0.2943185), wk = 0.0021692 k( 291) = ( 0.5581395 0.1208408 0.2990656), wk = 0.0021692 k( 292) = ( 0.5610465 0.1124490 0.3038127), wk = 0.0021692 k( 293) = ( 0.5639535 0.1040573 0.3085598), wk = 0.0021692 k( 294) = ( 0.5668605 0.0956656 0.3133068), wk = 0.0021692 k( 295) = ( 0.5697674 0.0872739 0.3180539), wk = 0.0021692 k( 296) = ( 0.5726744 0.0788822 0.3228010), wk = 0.0021692 k( 297) = ( 0.5755814 0.0704904 0.3275481), wk = 0.0021692 k( 298) = ( 0.5784884 0.0620987 0.3322951), wk = 0.0021692 k( 299) = ( 0.5813953 0.0537070 0.3370422), wk = 0.0021692 k( 300) = ( 0.5843023 0.0453153 0.3417893), wk = 0.0021692 k( 301) = ( 0.5872093 0.0369236 0.3465363), wk = 0.0021692 k( 302) = ( 0.5901163 0.0285318 0.3512834), wk = 0.0021692 k( 303) = ( 0.5930233 0.0201401 0.3560305), wk = 0.0021692 k( 304) = ( 0.5959302 0.0117484 0.3607776), wk = 0.0021692 k( 305) = ( 0.5988372 0.0033567 0.3655246), wk = 0.0021692 k( 306) = ( 0.6017442 -0.0050350 0.3702717), wk = 0.0021692 k( 307) = ( 0.6046512 -0.0134268 0.3750188), wk = 0.0021692 k( 308) = ( 0.6075581 -0.0218185 0.3797659), wk = 0.0021692 k( 309) = ( 0.6104651 -0.0302102 0.3845129), wk = 0.0021692 k( 310) = ( 0.6133721 -0.0386019 0.3892600), wk = 0.0021692 k( 311) = ( 0.6162791 -0.0469936 0.3940071), wk = 0.0021692 k( 312) = ( 0.6191861 -0.0553853 0.3987541), wk = 0.0021692 k( 313) = ( 0.6220930 -0.0637771 0.4035012), wk = 0.0021692 k( 314) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021692 k( 315) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021692 k( 316) = ( 0.6200000 -0.0692820 0.4164133), wk = 0.0021692 k( 317) = ( 0.6150000 -0.0663953 0.4245782), wk = 0.0021692 k( 318) = ( 0.6100000 -0.0635085 0.4327432), wk = 0.0021692 k( 319) = ( 0.6050000 -0.0606218 0.4409082), wk = 0.0021692 k( 320) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0021692 k( 321) = ( 0.5950000 -0.0548483 0.4572381), wk = 0.0021692 k( 322) = ( 0.5900000 -0.0519615 0.4654031), wk = 0.0021692 k( 323) = ( 0.5850000 -0.0490748 0.4735680), wk = 0.0021692 k( 324) = ( 0.5800000 -0.0461880 0.4817330), wk = 0.0021692 k( 325) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0021692 k( 326) = ( 0.5700000 -0.0404145 0.4980629), wk = 0.0021692 k( 327) = ( 0.5650000 -0.0375278 0.5062279), wk = 0.0021692 k( 328) = ( 0.5600000 -0.0346410 0.5143928), wk = 0.0021692 k( 329) = ( 0.5550000 -0.0317543 0.5225578), wk = 0.0021692 k( 330) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0021692 k( 331) = ( 0.5450000 -0.0259808 0.5388877), wk = 0.0021692 k( 332) = ( 0.5400000 -0.0230940 0.5470527), wk = 0.0021692 k( 333) = ( 0.5350000 -0.0202073 0.5552177), wk = 0.0021692 k( 334) = ( 0.5300000 -0.0173205 0.5633826), wk = 0.0021692 k( 335) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0021692 k( 336) = ( 0.5200000 -0.0115470 0.5797126), wk = 0.0021692 k( 337) = ( 0.5150000 -0.0086603 0.5878775), wk = 0.0021692 k( 338) = ( 0.5100000 -0.0057735 0.5960425), wk = 0.0021692 k( 339) = ( 0.5050000 -0.0028868 0.6042075), wk = 0.0021692 k( 340) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021692 k( 341) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021692 k( 342) = ( 0.5000000 0.0057735 0.6042075), wk = 0.0021692 k( 343) = ( 0.5000000 0.0115470 0.5960425), wk = 0.0021692 k( 344) = ( 0.5000000 0.0173205 0.5878775), wk = 0.0021692 k( 345) = ( 0.5000000 0.0230940 0.5797126), wk = 0.0021692 k( 346) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0021692 k( 347) = ( 0.5000000 0.0346410 0.5633826), wk = 0.0021692 k( 348) = ( 0.5000000 0.0404145 0.5552177), wk = 0.0021692 k( 349) = ( 0.5000000 0.0461880 0.5470527), wk = 0.0021692 k( 350) = ( 0.5000000 0.0519615 0.5388877), wk = 0.0021692 k( 351) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0021692 k( 352) = ( 0.5000000 0.0635085 0.5225578), wk = 0.0021692 k( 353) = ( 0.5000000 0.0692820 0.5143928), wk = 0.0021692 k( 354) = ( 0.5000000 0.0750555 0.5062279), wk = 0.0021692 k( 355) = ( 0.5000000 0.0808290 0.4980629), wk = 0.0021692 k( 356) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0021692 k( 357) = ( 0.5000000 0.0923760 0.4817330), wk = 0.0021692 k( 358) = ( 0.5000000 0.0981495 0.4735680), wk = 0.0021692 k( 359) = ( 0.5000000 0.1039230 0.4654031), wk = 0.0021692 k( 360) = ( 0.5000000 0.1096966 0.4572381), wk = 0.0021692 k( 361) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0021692 k( 362) = ( 0.5000000 0.1212436 0.4409082), wk = 0.0021692 k( 363) = ( 0.5000000 0.1270171 0.4327432), wk = 0.0021692 k( 364) = ( 0.5000000 0.1327906 0.4245782), wk = 0.0021692 k( 365) = ( 0.5000000 0.1385641 0.4164133), wk = 0.0021692 k( 366) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0021692 k( 367) = ( 0.5000000 0.1501111 0.4000833), wk = 0.0021692 k( 368) = ( 0.5000000 0.1558846 0.3919184), wk = 0.0021692 k( 369) = ( 0.5000000 0.1616581 0.3837534), wk = 0.0021692 k( 370) = ( 0.5000000 0.1674316 0.3755884), wk = 0.0021692 k( 371) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0021692 k( 372) = ( 0.5000000 0.1789786 0.3592585), wk = 0.0021692 k( 373) = ( 0.5000000 0.1847521 0.3510935), wk = 0.0021692 k( 374) = ( 0.5000000 0.1905256 0.3429286), wk = 0.0021692 k( 375) = ( 0.5000000 0.1962991 0.3347636), wk = 0.0021692 k( 376) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0021692 k( 377) = ( 0.5000000 0.2078461 0.3184337), wk = 0.0021692 k( 378) = ( 0.5000000 0.2136196 0.3102687), wk = 0.0021692 k( 379) = ( 0.5000000 0.2193931 0.3021037), wk = 0.0021692 k( 380) = ( 0.5000000 0.2251666 0.2939388), wk = 0.0021692 k( 381) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0021692 k( 382) = ( 0.5000000 0.2367136 0.2776088), wk = 0.0021692 k( 383) = ( 0.5000000 0.2424871 0.2694439), wk = 0.0021692 k( 384) = ( 0.5000000 0.2482606 0.2612789), wk = 0.0021692 k( 385) = ( 0.5000000 0.2540341 0.2531139), wk = 0.0021692 k( 386) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0021692 k( 387) = ( 0.5000000 0.2655811 0.2367840), wk = 0.0021692 k( 388) = ( 0.5000000 0.2713546 0.2286190), wk = 0.0021692 k( 389) = ( 0.5000000 0.2771281 0.2204541), wk = 0.0021692 k( 390) = ( 0.5000000 0.2829016 0.2122891), wk = 0.0021692 k( 391) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021692 k( 392) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021692 k( 393) = ( 0.4970930 0.2869968 0.2136183), wk = 0.0021692 k( 394) = ( 0.4941860 0.2853184 0.2231124), wk = 0.0021692 k( 395) = ( 0.4912791 0.2836401 0.2326066), wk = 0.0021692 k( 396) = ( 0.4883721 0.2819618 0.2421007), wk = 0.0021692 k( 397) = ( 0.4854651 0.2802834 0.2515949), wk = 0.0021692 k( 398) = ( 0.4825581 0.2786051 0.2610890), wk = 0.0021692 k( 399) = ( 0.4796512 0.2769267 0.2705832), wk = 0.0021692 k( 400) = ( 0.4767442 0.2752484 0.2800773), wk = 0.0021692 k( 401) = ( 0.4738372 0.2735700 0.2895715), wk = 0.0021692 k( 402) = ( 0.4709302 0.2718917 0.2990656), wk = 0.0021692 k( 403) = ( 0.4680233 0.2702134 0.3085598), wk = 0.0021692 k( 404) = ( 0.4651163 0.2685350 0.3180539), wk = 0.0021692 k( 405) = ( 0.4622093 0.2668567 0.3275481), wk = 0.0021692 k( 406) = ( 0.4593023 0.2651783 0.3370422), wk = 0.0021692 k( 407) = ( 0.4563953 0.2635000 0.3465363), wk = 0.0021692 k( 408) = ( 0.4534884 0.2618216 0.3560305), wk = 0.0021692 k( 409) = ( 0.4505814 0.2601433 0.3655246), wk = 0.0021692 k( 410) = ( 0.4476744 0.2584649 0.3750188), wk = 0.0021692 k( 411) = ( 0.4447674 0.2567866 0.3845129), wk = 0.0021692 k( 412) = ( 0.4418605 0.2551083 0.3940071), wk = 0.0021692 k( 413) = ( 0.4389535 0.2534299 0.4035012), wk = 0.0021692 k( 414) = ( 0.4360465 0.2517516 0.4129954), wk = 0.0021692 k( 415) = ( 0.4331395 0.2500732 0.4224895), wk = 0.0021692 k( 416) = ( 0.4302326 0.2483949 0.4319837), wk = 0.0021692 k( 417) = ( 0.4273256 0.2467165 0.4414778), wk = 0.0021692 k( 418) = ( 0.4244186 0.2450382 0.4509720), wk = 0.0021692 k( 419) = ( 0.4215116 0.2433599 0.4604661), wk = 0.0021692 k( 420) = ( 0.4186047 0.2416815 0.4699602), wk = 0.0021692 k( 421) = ( 0.4156977 0.2400032 0.4794544), wk = 0.0021692 k( 422) = ( 0.4127907 0.2383248 0.4889485), wk = 0.0021692 k( 423) = ( 0.4098837 0.2366465 0.4984427), wk = 0.0021692 k( 424) = ( 0.4069767 0.2349681 0.5079368), wk = 0.0021692 k( 425) = ( 0.4040698 0.2332898 0.5174310), wk = 0.0021692 k( 426) = ( 0.4011628 0.2316114 0.5269251), wk = 0.0021692 k( 427) = ( 0.3982558 0.2299331 0.5364193), wk = 0.0021692 k( 428) = ( 0.3953488 0.2282548 0.5459134), wk = 0.0021692 k( 429) = ( 0.3924419 0.2265764 0.5554076), wk = 0.0021692 k( 430) = ( 0.3895349 0.2248981 0.5649017), wk = 0.0021692 k( 431) = ( 0.3866279 0.2232197 0.5743959), wk = 0.0021692 k( 432) = ( 0.3837209 0.2215414 0.5838900), wk = 0.0021692 k( 433) = ( 0.3808140 0.2198630 0.5933841), wk = 0.0021692 k( 434) = ( 0.3779070 0.2181847 0.6028783), wk = 0.0021692 k( 435) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021692 k( 436) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021692 k( 437) = ( 0.6200000 -0.0808290 0.4082483), wk = 0.0021692 k( 438) = ( 0.6150000 -0.0894893 0.4082483), wk = 0.0021692 k( 439) = ( 0.6100000 -0.0981495 0.4082483), wk = 0.0021692 k( 440) = ( 0.6050000 -0.1068098 0.4082483), wk = 0.0021692 k( 441) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0021692 k( 442) = ( 0.5950000 -0.1241303 0.4082483), wk = 0.0021692 k( 443) = ( 0.5900000 -0.1327906 0.4082483), wk = 0.0021692 k( 444) = ( 0.5850000 -0.1414508 0.4082483), wk = 0.0021692 k( 445) = ( 0.5800000 -0.1501111 0.4082483), wk = 0.0021692 k( 446) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0021692 k( 447) = ( 0.5700000 -0.1674316 0.4082483), wk = 0.0021692 k( 448) = ( 0.5650000 -0.1760918 0.4082483), wk = 0.0021692 k( 449) = ( 0.5600000 -0.1847521 0.4082483), wk = 0.0021692 k( 450) = ( 0.5550000 -0.1934123 0.4082483), wk = 0.0021692 k( 451) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0021692 k( 452) = ( 0.5450000 -0.2107328 0.4082483), wk = 0.0021692 k( 453) = ( 0.5400000 -0.2193931 0.4082483), wk = 0.0021692 k( 454) = ( 0.5350000 -0.2280534 0.4082483), wk = 0.0021692 k( 455) = ( 0.5300000 -0.2367136 0.4082483), wk = 0.0021692 k( 456) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0021692 k( 457) = ( 0.5200000 -0.2540341 0.4082483), wk = 0.0021692 k( 458) = ( 0.5150000 -0.2626944 0.4082483), wk = 0.0021692 k( 459) = ( 0.5100000 -0.2713546 0.4082483), wk = 0.0021692 k( 460) = ( 0.5050000 -0.2800149 0.4082483), wk = 0.0021692 k( 461) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021692 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021692 k( 2) = ( 0.0071429 -0.0000000 0.0071429), wk = 0.0021692 k( 3) = ( 0.0142857 -0.0000000 0.0142857), wk = 0.0021692 k( 4) = ( 0.0214286 -0.0000000 0.0214286), wk = 0.0021692 k( 5) = ( 0.0285714 -0.0000000 0.0285714), wk = 0.0021692 k( 6) = ( 0.0357143 -0.0000000 0.0357143), wk = 0.0021692 k( 7) = ( 0.0428571 -0.0000000 0.0428571), wk = 0.0021692 k( 8) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0021692 k( 9) = ( 0.0571429 -0.0000000 0.0571429), wk = 0.0021692 k( 10) = ( 0.0642857 -0.0000000 0.0642857), wk = 0.0021692 k( 11) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0021692 k( 12) = ( 0.0785714 -0.0000000 0.0785714), wk = 0.0021692 k( 13) = ( 0.0857143 -0.0000000 0.0857143), wk = 0.0021692 k( 14) = ( 0.0928571 0.0000000 0.0928571), wk = 0.0021692 k( 15) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0021692 k( 16) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0021692 k( 17) = ( 0.1142857 -0.0000000 0.1142857), wk = 0.0021692 k( 18) = ( 0.1214286 -0.0000000 0.1214286), wk = 0.0021692 k( 19) = ( 0.1285714 -0.0000000 0.1285714), wk = 0.0021692 k( 20) = ( 0.1357143 -0.0000000 0.1357143), wk = 0.0021692 k( 21) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0021692 k( 22) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0021692 k( 23) = ( 0.1571429 -0.0000000 0.1571429), wk = 0.0021692 k( 24) = ( 0.1642857 -0.0000000 0.1642857), wk = 0.0021692 k( 25) = ( 0.1714286 -0.0000000 0.1714286), wk = 0.0021692 k( 26) = ( 0.1785714 -0.0000000 0.1785714), wk = 0.0021692 k( 27) = ( 0.1857143 0.0000000 0.1857143), wk = 0.0021692 k( 28) = ( 0.1928571 -0.0000000 0.1928571), wk = 0.0021692 k( 29) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0021692 k( 30) = ( 0.2071429 0.0000000 0.2071429), wk = 0.0021692 k( 31) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0021692 k( 32) = ( 0.2214286 -0.0000000 0.2214286), wk = 0.0021692 k( 33) = ( 0.2285714 -0.0000000 0.2285714), wk = 0.0021692 k( 34) = ( 0.2357143 -0.0000000 0.2357143), wk = 0.0021692 k( 35) = ( 0.2428571 -0.0000000 0.2428571), wk = 0.0021692 k( 36) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0021692 k( 37) = ( 0.2571429 -0.0000000 0.2571429), wk = 0.0021692 k( 38) = ( 0.2642857 -0.0000000 0.2642857), wk = 0.0021692 k( 39) = ( 0.2714286 -0.0000000 0.2714286), wk = 0.0021692 k( 40) = ( 0.2785714 -0.0000000 0.2785714), wk = 0.0021692 k( 41) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0021692 k( 42) = ( 0.2928571 -0.0000000 0.2928571), wk = 0.0021692 k( 43) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0021692 k( 44) = ( 0.3071429 -0.0000000 0.3071429), wk = 0.0021692 k( 45) = ( 0.3142857 -0.0000000 0.3142857), wk = 0.0021692 k( 46) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0021692 k( 47) = ( 0.3285714 -0.0000000 0.3285714), wk = 0.0021692 k( 48) = ( 0.3357143 -0.0000000 0.3357143), wk = 0.0021692 k( 49) = ( 0.3428571 -0.0000000 0.3428571), wk = 0.0021692 k( 50) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0021692 k( 51) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0021692 k( 52) = ( 0.3642857 0.0000000 0.3642857), wk = 0.0021692 k( 53) = ( 0.3714286 -0.0000000 0.3714286), wk = 0.0021692 k( 54) = ( 0.3785714 -0.0000000 0.3785714), wk = 0.0021692 k( 55) = ( 0.3857143 -0.0000000 0.3857143), wk = 0.0021692 k( 56) = ( 0.3928571 0.0000000 0.3928571), wk = 0.0021692 k( 57) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0021692 k( 58) = ( 0.4071429 -0.0000000 0.4071429), wk = 0.0021692 k( 59) = ( 0.4142857 -0.0000000 0.4142857), wk = 0.0021692 k( 60) = ( 0.4214286 -0.0000000 0.4214286), wk = 0.0021692 k( 61) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0021692 k( 62) = ( 0.4357143 -0.0000000 0.4357143), wk = 0.0021692 k( 63) = ( 0.4428571 -0.0000000 0.4428571), wk = 0.0021692 k( 64) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0021692 k( 65) = ( 0.4571429 -0.0000000 0.4571429), wk = 0.0021692 k( 66) = ( 0.4642857 -0.0000000 0.4642857), wk = 0.0021692 k( 67) = ( 0.4714286 -0.0000000 0.4714286), wk = 0.0021692 k( 68) = ( 0.4785714 -0.0000000 0.4785714), wk = 0.0021692 k( 69) = ( 0.4857143 -0.0000000 0.4857143), wk = 0.0021692 k( 70) = ( 0.4928571 -0.0000000 0.4928571), wk = 0.0021692 k( 71) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021692 k( 72) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021692 k( 73) = ( 0.5000000 0.0071429 0.5071429), wk = 0.0021692 k( 74) = ( 0.5000000 0.0142857 0.5142857), wk = 0.0021692 k( 75) = ( 0.5000000 0.0214286 0.5214286), wk = 0.0021692 k( 76) = ( 0.5000000 0.0285714 0.5285714), wk = 0.0021692 k( 77) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0021692 k( 78) = ( 0.5000000 0.0428571 0.5428571), wk = 0.0021692 k( 79) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0021692 k( 80) = ( 0.5000000 0.0571429 0.5571429), wk = 0.0021692 k( 81) = ( 0.5000000 0.0642857 0.5642857), wk = 0.0021692 k( 82) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0021692 k( 83) = ( 0.5000000 0.0785714 0.5785714), wk = 0.0021692 k( 84) = ( 0.5000000 0.0857143 0.5857143), wk = 0.0021692 k( 85) = ( 0.5000000 0.0928571 0.5928571), wk = 0.0021692 k( 86) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0021692 k( 87) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0021692 k( 88) = ( 0.5000000 0.1142857 0.6142857), wk = 0.0021692 k( 89) = ( 0.5000000 0.1214286 0.6214286), wk = 0.0021692 k( 90) = ( 0.5000000 0.1285714 0.6285714), wk = 0.0021692 k( 91) = ( 0.5000000 0.1357143 0.6357143), wk = 0.0021692 k( 92) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0021692 k( 93) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0021692 k( 94) = ( 0.5000000 0.1571429 0.6571429), wk = 0.0021692 k( 95) = ( 0.5000000 0.1642857 0.6642857), wk = 0.0021692 k( 96) = ( 0.5000000 0.1714286 0.6714286), wk = 0.0021692 k( 97) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0021692 k( 98) = ( 0.5000000 0.1857143 0.6857143), wk = 0.0021692 k( 99) = ( 0.5000000 0.1928571 0.6928571), wk = 0.0021692 k( 100) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0021692 k( 101) = ( 0.5000000 0.2071429 0.7071429), wk = 0.0021692 k( 102) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0021692 k( 103) = ( 0.5000000 0.2214286 0.7214286), wk = 0.0021692 k( 104) = ( 0.5000000 0.2285714 0.7285714), wk = 0.0021692 k( 105) = ( 0.5000000 0.2357143 0.7357143), wk = 0.0021692 k( 106) = ( 0.5000000 0.2428571 0.7428571), wk = 0.0021692 k( 107) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021692 k( 108) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021692 k( 109) = ( 0.4950000 0.2550000 0.7500000), wk = 0.0021692 k( 110) = ( 0.4900000 0.2600000 0.7500000), wk = 0.0021692 k( 111) = ( 0.4850000 0.2650000 0.7500000), wk = 0.0021692 k( 112) = ( 0.4800000 0.2700000 0.7500000), wk = 0.0021692 k( 113) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0021692 k( 114) = ( 0.4700000 0.2800000 0.7500000), wk = 0.0021692 k( 115) = ( 0.4650000 0.2850000 0.7500000), wk = 0.0021692 k( 116) = ( 0.4600000 0.2900000 0.7500000), wk = 0.0021692 k( 117) = ( 0.4550000 0.2950000 0.7500000), wk = 0.0021692 k( 118) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0021692 k( 119) = ( 0.4450000 0.3050000 0.7500000), wk = 0.0021692 k( 120) = ( 0.4400000 0.3100000 0.7500000), wk = 0.0021692 k( 121) = ( 0.4350000 0.3150000 0.7500000), wk = 0.0021692 k( 122) = ( 0.4300000 0.3200000 0.7500000), wk = 0.0021692 k( 123) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0021692 k( 124) = ( 0.4200000 0.3300000 0.7500000), wk = 0.0021692 k( 125) = ( 0.4150000 0.3350000 0.7500000), wk = 0.0021692 k( 126) = ( 0.4100000 0.3400000 0.7500000), wk = 0.0021692 k( 127) = ( 0.4050000 0.3450000 0.7500000), wk = 0.0021692 k( 128) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0021692 k( 129) = ( 0.3950000 0.3550000 0.7500000), wk = 0.0021692 k( 130) = ( 0.3900000 0.3600000 0.7500000), wk = 0.0021692 k( 131) = ( 0.3850000 0.3650000 0.7500000), wk = 0.0021692 k( 132) = ( 0.3800000 0.3700000 0.7500000), wk = 0.0021692 k( 133) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021692 k( 134) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021692 k( 135) = ( 0.3699324 0.3699324 0.7398649), wk = 0.0021692 k( 136) = ( 0.3648649 0.3648649 0.7297297), wk = 0.0021692 k( 137) = ( 0.3597973 0.3597973 0.7195946), wk = 0.0021692 k( 138) = ( 0.3547297 0.3547297 0.7094595), wk = 0.0021692 k( 139) = ( 0.3496622 0.3496622 0.6993243), wk = 0.0021692 k( 140) = ( 0.3445946 0.3445946 0.6891892), wk = 0.0021692 k( 141) = ( 0.3395270 0.3395270 0.6790540), wk = 0.0021692 k( 142) = ( 0.3344595 0.3344595 0.6689189), wk = 0.0021692 k( 143) = ( 0.3293919 0.3293919 0.6587838), wk = 0.0021692 k( 144) = ( 0.3243243 0.3243243 0.6486486), wk = 0.0021692 k( 145) = ( 0.3192568 0.3192568 0.6385135), wk = 0.0021692 k( 146) = ( 0.3141892 0.3141892 0.6283784), wk = 0.0021692 k( 147) = ( 0.3091216 0.3091216 0.6182432), wk = 0.0021692 k( 148) = ( 0.3040541 0.3040541 0.6081081), wk = 0.0021692 k( 149) = ( 0.2989865 0.2989865 0.5979730), wk = 0.0021692 k( 150) = ( 0.2939189 0.2939189 0.5878378), wk = 0.0021692 k( 151) = ( 0.2888514 0.2888513 0.5777027), wk = 0.0021692 k( 152) = ( 0.2837838 0.2837838 0.5675676), wk = 0.0021692 k( 153) = ( 0.2787162 0.2787162 0.5574324), wk = 0.0021692 k( 154) = ( 0.2736486 0.2736486 0.5472973), wk = 0.0021692 k( 155) = ( 0.2685811 0.2685811 0.5371622), wk = 0.0021692 k( 156) = ( 0.2635135 0.2635135 0.5270270), wk = 0.0021692 k( 157) = ( 0.2584459 0.2584459 0.5168919), wk = 0.0021692 k( 158) = ( 0.2533784 0.2533784 0.5067568), wk = 0.0021692 k( 159) = ( 0.2483108 0.2483108 0.4966216), wk = 0.0021692 k( 160) = ( 0.2432432 0.2432432 0.4864865), wk = 0.0021692 k( 161) = ( 0.2381757 0.2381757 0.4763513), wk = 0.0021692 k( 162) = ( 0.2331081 0.2331081 0.4662162), wk = 0.0021692 k( 163) = ( 0.2280405 0.2280405 0.4560811), wk = 0.0021692 k( 164) = ( 0.2229730 0.2229730 0.4459460), wk = 0.0021692 k( 165) = ( 0.2179054 0.2179054 0.4358108), wk = 0.0021692 k( 166) = ( 0.2128378 0.2128378 0.4256757), wk = 0.0021692 k( 167) = ( 0.2077703 0.2077703 0.4155405), wk = 0.0021692 k( 168) = ( 0.2027027 0.2027027 0.4054054), wk = 0.0021692 k( 169) = ( 0.1976351 0.1976351 0.3952703), wk = 0.0021692 k( 170) = ( 0.1925676 0.1925676 0.3851351), wk = 0.0021692 k( 171) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0021692 k( 172) = ( 0.1824324 0.1824324 0.3648649), wk = 0.0021692 k( 173) = ( 0.1773649 0.1773649 0.3547297), wk = 0.0021692 k( 174) = ( 0.1722973 0.1722973 0.3445946), wk = 0.0021692 k( 175) = ( 0.1672297 0.1672297 0.3344595), wk = 0.0021692 k( 176) = ( 0.1621622 0.1621622 0.3243243), wk = 0.0021692 k( 177) = ( 0.1570946 0.1570946 0.3141892), wk = 0.0021692 k( 178) = ( 0.1520270 0.1520270 0.3040541), wk = 0.0021692 k( 179) = ( 0.1469595 0.1469595 0.2939189), wk = 0.0021692 k( 180) = ( 0.1418919 0.1418919 0.2837838), wk = 0.0021692 k( 181) = ( 0.1368243 0.1368243 0.2736486), wk = 0.0021692 k( 182) = ( 0.1317568 0.1317568 0.2635135), wk = 0.0021692 k( 183) = ( 0.1266892 0.1266892 0.2533784), wk = 0.0021692 k( 184) = ( 0.1216216 0.1216216 0.2432432), wk = 0.0021692 k( 185) = ( 0.1165541 0.1165541 0.2331081), wk = 0.0021692 k( 186) = ( 0.1114865 0.1114865 0.2229730), wk = 0.0021692 k( 187) = ( 0.1064189 0.1064189 0.2128378), wk = 0.0021692 k( 188) = ( 0.1013514 0.1013514 0.2027027), wk = 0.0021692 k( 189) = ( 0.0962838 0.0962838 0.1925676), wk = 0.0021692 k( 190) = ( 0.0912162 0.0912162 0.1824324), wk = 0.0021692 k( 191) = ( 0.0861486 0.0861486 0.1722973), wk = 0.0021692 k( 192) = ( 0.0810811 0.0810811 0.1621622), wk = 0.0021692 k( 193) = ( 0.0760135 0.0760135 0.1520270), wk = 0.0021692 k( 194) = ( 0.0709459 0.0709459 0.1418919), wk = 0.0021692 k( 195) = ( 0.0658784 0.0658784 0.1317568), wk = 0.0021692 k( 196) = ( 0.0608108 0.0608108 0.1216216), wk = 0.0021692 k( 197) = ( 0.0557432 0.0557432 0.1114865), wk = 0.0021692 k( 198) = ( 0.0506757 0.0506757 0.1013514), wk = 0.0021692 k( 199) = ( 0.0456081 0.0456081 0.0912162), wk = 0.0021692 k( 200) = ( 0.0405405 0.0405405 0.0810811), wk = 0.0021692 k( 201) = ( 0.0354730 0.0354730 0.0709459), wk = 0.0021692 k( 202) = ( 0.0304054 0.0304054 0.0608108), wk = 0.0021692 k( 203) = ( 0.0253378 0.0253378 0.0506757), wk = 0.0021692 k( 204) = ( 0.0202703 0.0202703 0.0405405), wk = 0.0021692 k( 205) = ( 0.0152027 0.0152027 0.0304054), wk = 0.0021692 k( 206) = ( 0.0101351 0.0101351 0.0202703), wk = 0.0021692 k( 207) = ( 0.0050676 0.0050676 0.0101351), wk = 0.0021692 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021692 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021692 k( 210) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0021692 k( 211) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0021692 k( 212) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0021692 k( 213) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0021692 k( 214) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0021692 k( 215) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0021692 k( 216) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0021692 k( 217) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0021692 k( 218) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0021692 k( 219) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0021692 k( 220) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0021692 k( 221) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0021692 k( 222) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0021692 k( 223) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0021692 k( 224) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0021692 k( 225) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0021692 k( 226) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0021692 k( 227) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0021692 k( 228) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0021692 k( 229) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0021692 k( 230) = ( 0.1721312 0.1721312 0.1721312), wk = 0.0021692 k( 231) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0021692 k( 232) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0021692 k( 233) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0021692 k( 234) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0021692 k( 235) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0021692 k( 236) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0021692 k( 237) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0021692 k( 238) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0021692 k( 239) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0021692 k( 240) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0021692 k( 241) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0021692 k( 242) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0021692 k( 243) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0021692 k( 244) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0021692 k( 245) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0021692 k( 246) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0021692 k( 247) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0021692 k( 248) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0021692 k( 249) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0021692 k( 250) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0021692 k( 251) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0021692 k( 252) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0021692 k( 253) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0021692 k( 254) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0021692 k( 255) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0021692 k( 256) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0021692 k( 257) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0021692 k( 258) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0021692 k( 259) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0021692 k( 260) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0021692 k( 261) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0021692 k( 262) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0021692 k( 263) = ( 0.4426230 0.4426229 0.4426229), wk = 0.0021692 k( 264) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0021692 k( 265) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0021692 k( 266) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0021692 k( 267) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0021692 k( 268) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0021692 k( 269) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0021692 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021692 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021692 k( 272) = ( 0.5029070 0.4941860 0.5029070), wk = 0.0021692 k( 273) = ( 0.5058139 0.4883721 0.5058139), wk = 0.0021692 k( 274) = ( 0.5087209 0.4825581 0.5087209), wk = 0.0021692 k( 275) = ( 0.5116279 0.4767442 0.5116279), wk = 0.0021692 k( 276) = ( 0.5145349 0.4709302 0.5145349), wk = 0.0021692 k( 277) = ( 0.5174419 0.4651163 0.5174419), wk = 0.0021692 k( 278) = ( 0.5203488 0.4593023 0.5203488), wk = 0.0021692 k( 279) = ( 0.5232558 0.4534884 0.5232558), wk = 0.0021692 k( 280) = ( 0.5261628 0.4476744 0.5261628), wk = 0.0021692 k( 281) = ( 0.5290698 0.4418605 0.5290698), wk = 0.0021692 k( 282) = ( 0.5319767 0.4360465 0.5319767), wk = 0.0021692 k( 283) = ( 0.5348837 0.4302326 0.5348837), wk = 0.0021692 k( 284) = ( 0.5377907 0.4244186 0.5377907), wk = 0.0021692 k( 285) = ( 0.5406977 0.4186046 0.5406977), wk = 0.0021692 k( 286) = ( 0.5436047 0.4127907 0.5436047), wk = 0.0021692 k( 287) = ( 0.5465116 0.4069767 0.5465116), wk = 0.0021692 k( 288) = ( 0.5494186 0.4011628 0.5494186), wk = 0.0021692 k( 289) = ( 0.5523256 0.3953488 0.5523256), wk = 0.0021692 k( 290) = ( 0.5552326 0.3895349 0.5552326), wk = 0.0021692 k( 291) = ( 0.5581395 0.3837209 0.5581395), wk = 0.0021692 k( 292) = ( 0.5610465 0.3779070 0.5610465), wk = 0.0021692 k( 293) = ( 0.5639535 0.3720930 0.5639535), wk = 0.0021692 k( 294) = ( 0.5668605 0.3662791 0.5668605), wk = 0.0021692 k( 295) = ( 0.5697674 0.3604651 0.5697674), wk = 0.0021692 k( 296) = ( 0.5726744 0.3546512 0.5726744), wk = 0.0021692 k( 297) = ( 0.5755814 0.3488372 0.5755814), wk = 0.0021692 k( 298) = ( 0.5784884 0.3430233 0.5784884), wk = 0.0021692 k( 299) = ( 0.5813953 0.3372093 0.5813953), wk = 0.0021692 k( 300) = ( 0.5843023 0.3313953 0.5843023), wk = 0.0021692 k( 301) = ( 0.5872093 0.3255814 0.5872093), wk = 0.0021692 k( 302) = ( 0.5901163 0.3197674 0.5901163), wk = 0.0021692 k( 303) = ( 0.5930233 0.3139535 0.5930233), wk = 0.0021692 k( 304) = ( 0.5959302 0.3081395 0.5959302), wk = 0.0021692 k( 305) = ( 0.5988372 0.3023256 0.5988372), wk = 0.0021692 k( 306) = ( 0.6017442 0.2965116 0.6017442), wk = 0.0021692 k( 307) = ( 0.6046512 0.2906977 0.6046512), wk = 0.0021692 k( 308) = ( 0.6075581 0.2848837 0.6075581), wk = 0.0021692 k( 309) = ( 0.6104651 0.2790698 0.6104651), wk = 0.0021692 k( 310) = ( 0.6133721 0.2732558 0.6133721), wk = 0.0021692 k( 311) = ( 0.6162791 0.2674419 0.6162791), wk = 0.0021692 k( 312) = ( 0.6191861 0.2616279 0.6191860), wk = 0.0021692 k( 313) = ( 0.6220930 0.2558139 0.6220930), wk = 0.0021692 k( 314) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021692 k( 315) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021692 k( 316) = ( 0.6200000 0.2500000 0.6300000), wk = 0.0021692 k( 317) = ( 0.6150000 0.2500000 0.6350000), wk = 0.0021692 k( 318) = ( 0.6100000 0.2500000 0.6400000), wk = 0.0021692 k( 319) = ( 0.6050000 0.2500000 0.6450000), wk = 0.0021692 k( 320) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0021692 k( 321) = ( 0.5950000 0.2500000 0.6550000), wk = 0.0021692 k( 322) = ( 0.5900000 0.2500000 0.6600000), wk = 0.0021692 k( 323) = ( 0.5850000 0.2500000 0.6650000), wk = 0.0021692 k( 324) = ( 0.5800000 0.2500000 0.6700000), wk = 0.0021692 k( 325) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0021692 k( 326) = ( 0.5700000 0.2500000 0.6800000), wk = 0.0021692 k( 327) = ( 0.5650000 0.2500000 0.6850000), wk = 0.0021692 k( 328) = ( 0.5600000 0.2500000 0.6900000), wk = 0.0021692 k( 329) = ( 0.5550000 0.2500000 0.6950000), wk = 0.0021692 k( 330) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0021692 k( 331) = ( 0.5450000 0.2500000 0.7050000), wk = 0.0021692 k( 332) = ( 0.5400000 0.2500000 0.7100000), wk = 0.0021692 k( 333) = ( 0.5350000 0.2500000 0.7150000), wk = 0.0021692 k( 334) = ( 0.5300000 0.2500000 0.7200000), wk = 0.0021692 k( 335) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0021692 k( 336) = ( 0.5200000 0.2500000 0.7300000), wk = 0.0021692 k( 337) = ( 0.5150000 0.2500000 0.7350000), wk = 0.0021692 k( 338) = ( 0.5100000 0.2500000 0.7400000), wk = 0.0021692 k( 339) = ( 0.5050000 0.2500000 0.7450000), wk = 0.0021692 k( 340) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021692 k( 341) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021692 k( 342) = ( 0.5000000 0.2550000 0.7450000), wk = 0.0021692 k( 343) = ( 0.5000000 0.2600000 0.7400000), wk = 0.0021692 k( 344) = ( 0.5000000 0.2650000 0.7350000), wk = 0.0021692 k( 345) = ( 0.5000000 0.2700000 0.7300000), wk = 0.0021692 k( 346) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0021692 k( 347) = ( 0.5000000 0.2800000 0.7200000), wk = 0.0021692 k( 348) = ( 0.5000000 0.2850000 0.7150000), wk = 0.0021692 k( 349) = ( 0.5000000 0.2900000 0.7100000), wk = 0.0021692 k( 350) = ( 0.5000000 0.2950000 0.7050000), wk = 0.0021692 k( 351) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0021692 k( 352) = ( 0.5000000 0.3050000 0.6950000), wk = 0.0021692 k( 353) = ( 0.5000000 0.3100000 0.6900000), wk = 0.0021692 k( 354) = ( 0.5000000 0.3150000 0.6850000), wk = 0.0021692 k( 355) = ( 0.5000000 0.3200000 0.6800000), wk = 0.0021692 k( 356) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0021692 k( 357) = ( 0.5000000 0.3300000 0.6700000), wk = 0.0021692 k( 358) = ( 0.5000000 0.3350000 0.6650000), wk = 0.0021692 k( 359) = ( 0.5000000 0.3400000 0.6600000), wk = 0.0021692 k( 360) = ( 0.5000000 0.3450000 0.6550000), wk = 0.0021692 k( 361) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0021692 k( 362) = ( 0.5000000 0.3550000 0.6450000), wk = 0.0021692 k( 363) = ( 0.5000000 0.3600000 0.6400000), wk = 0.0021692 k( 364) = ( 0.5000000 0.3650000 0.6350000), wk = 0.0021692 k( 365) = ( 0.5000000 0.3700000 0.6300000), wk = 0.0021692 k( 366) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0021692 k( 367) = ( 0.5000000 0.3800000 0.6200000), wk = 0.0021692 k( 368) = ( 0.5000000 0.3850000 0.6150000), wk = 0.0021692 k( 369) = ( 0.5000000 0.3900000 0.6100000), wk = 0.0021692 k( 370) = ( 0.5000000 0.3950000 0.6050000), wk = 0.0021692 k( 371) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0021692 k( 372) = ( 0.5000000 0.4050000 0.5950000), wk = 0.0021692 k( 373) = ( 0.5000000 0.4100000 0.5900000), wk = 0.0021692 k( 374) = ( 0.5000000 0.4150000 0.5850000), wk = 0.0021692 k( 375) = ( 0.5000000 0.4200000 0.5800000), wk = 0.0021692 k( 376) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0021692 k( 377) = ( 0.5000000 0.4300000 0.5700000), wk = 0.0021692 k( 378) = ( 0.5000000 0.4350000 0.5650000), wk = 0.0021692 k( 379) = ( 0.5000000 0.4400000 0.5600000), wk = 0.0021692 k( 380) = ( 0.5000000 0.4450000 0.5550000), wk = 0.0021692 k( 381) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0021692 k( 382) = ( 0.5000000 0.4550000 0.5450000), wk = 0.0021692 k( 383) = ( 0.5000000 0.4600000 0.5400000), wk = 0.0021692 k( 384) = ( 0.5000000 0.4650000 0.5350000), wk = 0.0021692 k( 385) = ( 0.5000000 0.4700000 0.5300000), wk = 0.0021692 k( 386) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0021692 k( 387) = ( 0.5000000 0.4800000 0.5200000), wk = 0.0021692 k( 388) = ( 0.5000000 0.4850000 0.5150000), wk = 0.0021692 k( 389) = ( 0.5000000 0.4900000 0.5100000), wk = 0.0021692 k( 390) = ( 0.5000000 0.4950000 0.5050000), wk = 0.0021692 k( 391) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021692 k( 392) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021692 k( 393) = ( 0.4970930 0.4970930 0.5058139), wk = 0.0021692 k( 394) = ( 0.4941860 0.4941860 0.5116279), wk = 0.0021692 k( 395) = ( 0.4912791 0.4912791 0.5174419), wk = 0.0021692 k( 396) = ( 0.4883721 0.4883721 0.5232558), wk = 0.0021692 k( 397) = ( 0.4854651 0.4854651 0.5290698), wk = 0.0021692 k( 398) = ( 0.4825581 0.4825581 0.5348837), wk = 0.0021692 k( 399) = ( 0.4796512 0.4796512 0.5406977), wk = 0.0021692 k( 400) = ( 0.4767442 0.4767442 0.5465116), wk = 0.0021692 k( 401) = ( 0.4738372 0.4738372 0.5523256), wk = 0.0021692 k( 402) = ( 0.4709302 0.4709302 0.5581395), wk = 0.0021692 k( 403) = ( 0.4680233 0.4680233 0.5639535), wk = 0.0021692 k( 404) = ( 0.4651163 0.4651163 0.5697674), wk = 0.0021692 k( 405) = ( 0.4622093 0.4622093 0.5755814), wk = 0.0021692 k( 406) = ( 0.4593023 0.4593023 0.5813953), wk = 0.0021692 k( 407) = ( 0.4563953 0.4563953 0.5872093), wk = 0.0021692 k( 408) = ( 0.4534884 0.4534884 0.5930233), wk = 0.0021692 k( 409) = ( 0.4505814 0.4505814 0.5988372), wk = 0.0021692 k( 410) = ( 0.4476744 0.4476744 0.6046512), wk = 0.0021692 k( 411) = ( 0.4447674 0.4447674 0.6104651), wk = 0.0021692 k( 412) = ( 0.4418605 0.4418605 0.6162791), wk = 0.0021692 k( 413) = ( 0.4389535 0.4389535 0.6220930), wk = 0.0021692 k( 414) = ( 0.4360465 0.4360465 0.6279070), wk = 0.0021692 k( 415) = ( 0.4331395 0.4331395 0.6337209), wk = 0.0021692 k( 416) = ( 0.4302326 0.4302326 0.6395349), wk = 0.0021692 k( 417) = ( 0.4273256 0.4273256 0.6453488), wk = 0.0021692 k( 418) = ( 0.4244186 0.4244186 0.6511628), wk = 0.0021692 k( 419) = ( 0.4215116 0.4215116 0.6569767), wk = 0.0021692 k( 420) = ( 0.4186047 0.4186047 0.6627907), wk = 0.0021692 k( 421) = ( 0.4156977 0.4156977 0.6686047), wk = 0.0021692 k( 422) = ( 0.4127907 0.4127907 0.6744186), wk = 0.0021692 k( 423) = ( 0.4098837 0.4098837 0.6802326), wk = 0.0021692 k( 424) = ( 0.4069767 0.4069767 0.6860465), wk = 0.0021692 k( 425) = ( 0.4040698 0.4040698 0.6918605), wk = 0.0021692 k( 426) = ( 0.4011628 0.4011628 0.6976744), wk = 0.0021692 k( 427) = ( 0.3982558 0.3982558 0.7034884), wk = 0.0021692 k( 428) = ( 0.3953488 0.3953488 0.7093023), wk = 0.0021692 k( 429) = ( 0.3924419 0.3924419 0.7151163), wk = 0.0021692 k( 430) = ( 0.3895349 0.3895349 0.7209302), wk = 0.0021692 k( 431) = ( 0.3866279 0.3866279 0.7267442), wk = 0.0021692 k( 432) = ( 0.3837209 0.3837209 0.7325581), wk = 0.0021692 k( 433) = ( 0.3808140 0.3808140 0.7383721), wk = 0.0021692 k( 434) = ( 0.3779070 0.3779070 0.7441860), wk = 0.0021692 k( 435) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021692 k( 436) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021692 k( 437) = ( 0.6200000 0.2400000 0.6200000), wk = 0.0021692 k( 438) = ( 0.6150000 0.2300000 0.6150000), wk = 0.0021692 k( 439) = ( 0.6100000 0.2200000 0.6100000), wk = 0.0021692 k( 440) = ( 0.6050000 0.2100000 0.6050000), wk = 0.0021692 k( 441) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0021692 k( 442) = ( 0.5950000 0.1900000 0.5950000), wk = 0.0021692 k( 443) = ( 0.5900000 0.1800000 0.5900000), wk = 0.0021692 k( 444) = ( 0.5850000 0.1700000 0.5850000), wk = 0.0021692 k( 445) = ( 0.5800000 0.1600000 0.5800000), wk = 0.0021692 k( 446) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0021692 k( 447) = ( 0.5700000 0.1400000 0.5700000), wk = 0.0021692 k( 448) = ( 0.5650000 0.1300000 0.5650000), wk = 0.0021692 k( 449) = ( 0.5600000 0.1200000 0.5600000), wk = 0.0021692 k( 450) = ( 0.5550000 0.1100000 0.5550000), wk = 0.0021692 k( 451) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0021692 k( 452) = ( 0.5450000 0.0900000 0.5450000), wk = 0.0021692 k( 453) = ( 0.5400000 0.0800000 0.5400000), wk = 0.0021692 k( 454) = ( 0.5350000 0.0700000 0.5350000), wk = 0.0021692 k( 455) = ( 0.5300000 0.0600000 0.5300000), wk = 0.0021692 k( 456) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0021692 k( 457) = ( 0.5200000 0.0400000 0.5200000), wk = 0.0021692 k( 458) = ( 0.5150000 0.0300000 0.5150000), wk = 0.0021692 k( 459) = ( 0.5100000 0.0200000 0.5100000), wk = 0.0021692 k( 460) = ( 0.5050000 0.0100000 0.5050000), wk = 0.0021692 k( 461) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021692 Dense grid: 15593 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 5961 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 34, 16) NL pseudopotentials 0.01 Mb ( 17, 28) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 325) G-vector shells 0.00 Mb ( 145) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.03 Mb ( 34, 64) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.01 Mb ( 28, 2, 16) The potential is recalculated from file : ./BP.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 38.3 secs Computing kpt #: 2 total cpu time spent up to now is 38.4 secs Computing kpt #: 3 total cpu time spent up to now is 38.5 secs Computing kpt #: 4 total cpu time spent up to now is 38.6 secs Computing kpt #: 5 total cpu time spent up to now is 38.6 secs Computing kpt #: 6 total cpu time spent up to now is 38.7 secs Computing kpt #: 7 total cpu time spent up to now is 38.8 secs Computing kpt #: 8 total cpu time spent up to now is 38.9 secs Computing kpt #: 9 total cpu time spent up to now is 39.0 secs Computing kpt #: 10 total cpu time spent up to now is 39.1 secs Computing kpt #: 11 total cpu time spent up to now is 39.3 secs Computing kpt #: 12 total cpu time spent up to now is 39.4 secs Computing kpt #: 13 total cpu time spent up to now is 39.5 secs Computing kpt #: 14 total cpu time spent up to now is 39.6 secs Computing kpt #: 15 total cpu time spent up to now is 39.7 secs Computing kpt #: 16 total cpu time spent up to now is 39.9 secs Computing kpt #: 17 total cpu time spent up to now is 40.0 secs Computing kpt #: 18 total cpu time spent up to now is 40.1 secs Computing kpt #: 19 total cpu time spent up to now is 40.2 secs Computing kpt #: 20 total cpu time spent up to now is 40.3 secs Computing kpt #: 21 total cpu time spent up to now is 40.5 secs Computing kpt #: 22 total cpu time spent up to now is 40.6 secs Computing kpt #: 23 total cpu time spent up to now is 40.7 secs Computing kpt #: 24 total cpu time spent up to now is 40.8 secs Computing kpt #: 25 total cpu time spent up to now is 40.9 secs Computing kpt #: 26 total cpu time spent up to now is 41.0 secs Computing kpt #: 27 total cpu time spent up to now is 41.1 secs Computing kpt #: 28 total cpu time spent up to now is 41.2 secs Computing kpt #: 29 total cpu time spent up to now is 41.4 secs Computing kpt #: 30 total cpu time spent up to now is 41.5 secs Computing kpt #: 31 total cpu time spent up to now is 41.6 secs Computing kpt #: 32 total cpu time spent up to now is 41.7 secs Computing kpt #: 33 total cpu time spent up to now is 41.8 secs Computing kpt #: 34 total cpu time spent up to now is 41.9 secs Computing kpt #: 35 total cpu time spent up to now is 42.0 secs Computing kpt #: 36 total cpu time spent up to now is 42.1 secs Computing kpt #: 37 total cpu time spent up to now is 42.2 secs Computing kpt #: 38 total cpu time spent up to now is 42.3 secs Computing kpt #: 39 total cpu time spent up to now is 42.4 secs Computing kpt #: 40 total cpu time spent up to now is 42.5 secs Computing kpt #: 41 total cpu time spent up to now is 42.6 secs Computing kpt #: 42 total cpu time spent up to now is 42.7 secs Computing kpt #: 43 total cpu time spent up to now is 42.8 secs Computing kpt #: 44 total cpu time spent up to now is 42.9 secs Computing kpt #: 45 total cpu time spent up to now is 43.0 secs Computing kpt #: 46 total cpu time spent up to now is 43.1 secs Computing kpt #: 47 total cpu time spent up to now is 43.2 secs Computing kpt #: 48 total cpu time spent up to now is 43.3 secs Computing kpt #: 49 total cpu time spent up to now is 43.4 secs Computing kpt #: 50 total cpu time spent up to now is 43.5 secs Computing kpt #: 51 total cpu time spent up to now is 43.6 secs Computing kpt #: 52 total cpu time spent up to now is 43.7 secs Computing kpt #: 53 total cpu time spent up to now is 43.8 secs Computing kpt #: 54 total cpu time spent up to now is 43.9 secs Computing kpt #: 55 total cpu time spent up to now is 44.0 secs Computing kpt #: 56 total cpu time spent up to now is 44.1 secs Computing kpt #: 57 total cpu time spent up to now is 44.2 secs Computing kpt #: 58 total cpu time spent up to now is 44.3 secs Computing kpt #: 59 total cpu time spent up to now is 44.5 secs Computing kpt #: 60 total cpu time spent up to now is 44.6 secs Computing kpt #: 61 total cpu time spent up to now is 44.7 secs Computing kpt #: 62 total cpu time spent up to now is 44.9 secs Computing kpt #: 63 total cpu time spent up to now is 45.0 secs Computing kpt #: 64 total cpu time spent up to now is 45.2 secs Computing kpt #: 65 total cpu time spent up to now is 45.3 secs Computing kpt #: 66 total cpu time spent up to now is 45.5 secs Computing kpt #: 67 total cpu time spent up to now is 45.7 secs Computing kpt #: 68 total cpu time spent up to now is 45.8 secs Computing kpt #: 69 total cpu time spent up to now is 45.9 secs Computing kpt #: 70 total cpu time spent up to now is 46.3 secs Computing kpt #: 71 total cpu time spent up to now is 46.5 secs Computing kpt #: 72 total cpu time spent up to now is 46.6 secs Computing kpt #: 73 total cpu time spent up to now is 46.8 secs Computing kpt #: 74 total cpu time spent up to now is 47.0 secs Computing kpt #: 75 total cpu time spent up to now is 47.2 secs Computing kpt #: 76 total cpu time spent up to now is 47.3 secs Computing kpt #: 77 total cpu time spent up to now is 47.6 secs Computing kpt #: 78 total cpu time spent up to now is 47.8 secs Computing kpt #: 79 total cpu time spent up to now is 47.9 secs Computing kpt #: 80 total cpu time spent up to now is 48.0 secs Computing kpt #: 81 total cpu time spent up to now is 48.2 secs Computing kpt #: 82 total cpu time spent up to now is 48.4 secs Computing kpt #: 83 total cpu time spent up to now is 48.7 secs Computing kpt #: 84 total cpu time spent up to now is 48.8 secs Computing kpt #: 85 total cpu time spent up to now is 49.0 secs Computing kpt #: 86 total cpu time spent up to now is 49.2 secs Computing kpt #: 87 total cpu time spent up to now is 49.4 secs Computing kpt #: 88 total cpu time spent up to now is 49.6 secs Computing kpt #: 89 total cpu time spent up to now is 49.8 secs Computing kpt #: 90 total cpu time spent up to now is 50.0 secs Computing kpt #: 91 total cpu time spent up to now is 50.2 secs Computing kpt #: 92 total cpu time spent up to now is 50.4 secs Computing kpt #: 93 total cpu time spent up to now is 50.5 secs Computing kpt #: 94 total cpu time spent up to now is 50.7 secs Computing kpt #: 95 total cpu time spent up to now is 50.8 secs Computing kpt #: 96 total cpu time spent up to now is 51.1 secs Computing kpt #: 97 total cpu time spent up to now is 51.2 secs Computing kpt #: 98 total cpu time spent up to now is 51.4 secs Computing kpt #: 99 total cpu time spent up to now is 51.6 secs Computing kpt #: 100 total cpu time spent up to now is 51.8 secs Computing kpt #: 101 total cpu time spent up to now is 51.9 secs Computing kpt #: 102 total cpu time spent up to now is 52.1 secs Computing kpt #: 103 total cpu time spent up to now is 52.3 secs Computing kpt #: 104 total cpu time spent up to now is 52.4 secs Computing kpt #: 105 total cpu time spent up to now is 52.6 secs Computing kpt #: 106 total cpu time spent up to now is 52.7 secs Computing kpt #: 107 total cpu time spent up to now is 52.9 secs Computing kpt #: 108 total cpu time spent up to now is 53.2 secs Computing kpt #: 109 total cpu time spent up to now is 53.3 secs Computing kpt #: 110 total cpu time spent up to now is 53.4 secs Computing kpt #: 111 total cpu time spent up to now is 53.6 secs Computing kpt #: 112 total cpu time spent up to now is 53.7 secs Computing kpt #: 113 total cpu time spent up to now is 54.0 secs Computing kpt #: 114 total cpu time spent up to now is 54.2 secs Computing kpt #: 115 total cpu time spent up to now is 54.4 secs Computing kpt #: 116 total cpu time spent up to now is 54.6 secs Computing kpt #: 117 total cpu time spent up to now is 54.7 secs Computing kpt #: 118 total cpu time spent up to now is 54.9 secs Computing kpt #: 119 total cpu time spent up to now is 55.0 secs Computing kpt #: 120 total cpu time spent up to now is 55.2 secs Computing kpt #: 121 total cpu time spent up to now is 55.3 secs Computing kpt #: 122 total cpu time spent up to now is 55.4 secs Computing kpt #: 123 total cpu time spent up to now is 55.5 secs Computing kpt #: 124 total cpu time spent up to now is 55.7 secs Computing kpt #: 125 total cpu time spent up to now is 55.8 secs Computing kpt #: 126 total cpu time spent up to now is 55.9 secs Computing kpt #: 127 total cpu time spent up to now is 56.1 secs Computing kpt #: 128 total cpu time spent up to now is 56.2 secs Computing kpt #: 129 total cpu time spent up to now is 56.3 secs Computing kpt #: 130 total cpu time spent up to now is 56.4 secs Computing kpt #: 131 total cpu time spent up to now is 56.7 secs Computing kpt #: 132 total cpu time spent up to now is 56.8 secs Computing kpt #: 133 total cpu time spent up to now is 57.0 secs Computing kpt #: 134 total cpu time spent up to now is 57.2 secs Computing kpt #: 135 total cpu time spent up to now is 57.3 secs Computing kpt #: 136 total cpu time spent up to now is 57.5 secs Computing kpt #: 137 total cpu time spent up to now is 57.7 secs Computing kpt #: 138 total cpu time spent up to now is 57.8 secs Computing kpt #: 139 total cpu time spent up to now is 58.2 secs Computing kpt #: 140 total cpu time spent up to now is 58.3 secs Computing kpt #: 141 total cpu time spent up to now is 58.5 secs Computing kpt #: 142 total cpu time spent up to now is 58.7 secs Computing kpt #: 143 total cpu time spent up to now is 58.9 secs Computing kpt #: 144 total cpu time spent up to now is 59.2 secs Computing kpt #: 145 total cpu time spent up to now is 59.4 secs Computing kpt #: 146 total cpu time spent up to now is 59.6 secs Computing kpt #: 147 total cpu time spent up to now is 59.8 secs Computing kpt #: 148 total cpu time spent up to now is 60.0 secs Computing kpt #: 149 total cpu time spent up to now is 60.1 secs Computing kpt #: 150 total cpu time spent up to now is 60.4 secs Computing kpt #: 151 total cpu time spent up to now is 60.6 secs Computing kpt #: 152 total cpu time spent up to now is 60.9 secs Computing kpt #: 153 total cpu time spent up to now is 61.1 secs Computing kpt #: 154 total cpu time spent up to now is 61.4 secs Computing kpt #: 155 total cpu time spent up to now is 61.6 secs Computing kpt #: 156 total cpu time spent up to now is 61.7 secs Computing kpt #: 157 total cpu time spent up to now is 61.8 secs Computing kpt #: 158 total cpu time spent up to now is 61.9 secs Computing kpt #: 159 total cpu time spent up to now is 62.0 secs Computing kpt #: 160 total cpu time spent up to now is 62.2 secs Computing kpt #: 161 total cpu time spent up to now is 62.3 secs Computing kpt #: 162 total cpu time spent up to now is 62.4 secs Computing kpt #: 163 total cpu time spent up to now is 62.5 secs Computing kpt #: 164 total cpu time spent up to now is 62.6 secs Computing kpt #: 165 total cpu time spent up to now is 62.7 secs Computing kpt #: 166 total cpu time spent up to now is 62.8 secs Computing kpt #: 167 total cpu time spent up to now is 63.0 secs Computing kpt #: 168 total cpu time spent up to now is 63.1 secs Computing kpt #: 169 total cpu time spent up to now is 63.2 secs Computing kpt #: 170 total cpu time spent up to now is 63.4 secs Computing kpt #: 171 total cpu time spent up to now is 63.6 secs Computing kpt #: 172 total cpu time spent up to now is 63.8 secs Computing kpt #: 173 total cpu time spent up to now is 64.0 secs Computing kpt #: 174 total cpu time spent up to now is 64.1 secs Computing kpt #: 175 total cpu time spent up to now is 64.4 secs Computing kpt #: 176 total cpu time spent up to now is 64.5 secs Computing kpt #: 177 total cpu time spent up to now is 64.7 secs Computing kpt #: 178 total cpu time spent up to now is 65.0 secs Computing kpt #: 179 total cpu time spent up to now is 65.1 secs Computing kpt #: 180 total cpu time spent up to now is 65.3 secs Computing kpt #: 181 total cpu time spent up to now is 65.4 secs Computing kpt #: 182 total cpu time spent up to now is 65.5 secs Computing kpt #: 183 total cpu time spent up to now is 65.6 secs Computing kpt #: 184 total cpu time spent up to now is 65.8 secs Computing kpt #: 185 total cpu time spent up to now is 65.9 secs Computing kpt #: 186 total cpu time spent up to now is 66.0 secs Computing kpt #: 187 total cpu time spent up to now is 66.2 secs Computing kpt #: 188 total cpu time spent up to now is 66.3 secs Computing kpt #: 189 total cpu time spent up to now is 66.5 secs Computing kpt #: 190 total cpu time spent up to now is 66.6 secs Computing kpt #: 191 total cpu time spent up to now is 66.7 secs Computing kpt #: 192 total cpu time spent up to now is 66.8 secs Computing kpt #: 193 total cpu time spent up to now is 66.9 secs Computing kpt #: 194 total cpu time spent up to now is 67.0 secs Computing kpt #: 195 total cpu time spent up to now is 67.1 secs Computing kpt #: 196 total cpu time spent up to now is 67.3 secs Computing kpt #: 197 total cpu time spent up to now is 67.4 secs Computing kpt #: 198 total cpu time spent up to now is 67.5 secs Computing kpt #: 199 total cpu time spent up to now is 67.5 secs Computing kpt #: 200 total cpu time spent up to now is 67.6 secs Computing kpt #: 201 total cpu time spent up to now is 67.7 secs Computing kpt #: 202 total cpu time spent up to now is 67.8 secs Computing kpt #: 203 total cpu time spent up to now is 67.9 secs Computing kpt #: 204 total cpu time spent up to now is 68.0 secs Computing kpt #: 205 total cpu time spent up to now is 68.1 secs Computing kpt #: 206 total cpu time spent up to now is 68.2 secs Computing kpt #: 207 total cpu time spent up to now is 68.3 secs Computing kpt #: 208 total cpu time spent up to now is 68.4 secs Computing kpt #: 209 total cpu time spent up to now is 68.5 secs Computing kpt #: 210 total cpu time spent up to now is 68.6 secs Computing kpt #: 211 total cpu time spent up to now is 68.7 secs Computing kpt #: 212 total cpu time spent up to now is 68.9 secs Computing kpt #: 213 total cpu time spent up to now is 69.0 secs Computing kpt #: 214 total cpu time spent up to now is 69.1 secs Computing kpt #: 215 total cpu time spent up to now is 69.2 secs Computing kpt #: 216 total cpu time spent up to now is 69.4 secs Computing kpt #: 217 total cpu time spent up to now is 69.6 secs Computing kpt #: 218 total cpu time spent up to now is 69.7 secs Computing kpt #: 219 total cpu time spent up to now is 69.9 secs Computing kpt #: 220 total cpu time spent up to now is 70.0 secs Computing kpt #: 221 total cpu time spent up to now is 70.2 secs Computing kpt #: 222 total cpu time spent up to now is 70.3 secs Computing kpt #: 223 total cpu time spent up to now is 70.5 secs Computing kpt #: 224 total cpu time spent up to now is 70.6 secs Computing kpt #: 225 total cpu time spent up to now is 70.7 secs Computing kpt #: 226 total cpu time spent up to now is 71.0 secs Computing kpt #: 227 total cpu time spent up to now is 71.2 secs Computing kpt #: 228 total cpu time spent up to now is 71.4 secs Computing kpt #: 229 total cpu time spent up to now is 71.6 secs Computing kpt #: 230 total cpu time spent up to now is 71.7 secs Computing kpt #: 231 total cpu time spent up to now is 71.9 secs Computing kpt #: 232 total cpu time spent up to now is 72.2 secs Computing kpt #: 233 total cpu time spent up to now is 72.4 secs Computing kpt #: 234 total cpu time spent up to now is 72.5 secs Computing kpt #: 235 total cpu time spent up to now is 72.6 secs Computing kpt #: 236 total cpu time spent up to now is 72.7 secs Computing kpt #: 237 total cpu time spent up to now is 72.9 secs Computing kpt #: 238 total cpu time spent up to now is 73.0 secs Computing kpt #: 239 total cpu time spent up to now is 73.1 secs Computing kpt #: 240 total cpu time spent up to now is 73.2 secs Computing kpt #: 241 total cpu time spent up to now is 73.3 secs Computing kpt #: 242 total cpu time spent up to now is 73.4 secs Computing kpt #: 243 total cpu time spent up to now is 73.5 secs Computing kpt #: 244 total cpu time spent up to now is 73.7 secs Computing kpt #: 245 total cpu time spent up to now is 73.8 secs Computing kpt #: 246 total cpu time spent up to now is 73.9 secs Computing kpt #: 247 total cpu time spent up to now is 74.0 secs Computing kpt #: 248 total cpu time spent up to now is 74.1 secs Computing kpt #: 249 total cpu time spent up to now is 74.2 secs Computing kpt #: 250 total cpu time spent up to now is 74.3 secs Computing kpt #: 251 total cpu time spent up to now is 74.5 secs Computing kpt #: 252 total cpu time spent up to now is 74.6 secs Computing kpt #: 253 total cpu time spent up to now is 74.7 secs Computing kpt #: 254 total cpu time spent up to now is 74.9 secs Computing kpt #: 255 total cpu time spent up to now is 75.0 secs Computing kpt #: 256 total cpu time spent up to now is 75.2 secs Computing kpt #: 257 total cpu time spent up to now is 75.4 secs Computing kpt #: 258 total cpu time spent up to now is 75.6 secs Computing kpt #: 259 total cpu time spent up to now is 75.7 secs Computing kpt #: 260 total cpu time spent up to now is 75.8 secs Computing kpt #: 261 total cpu time spent up to now is 76.1 secs Computing kpt #: 262 total cpu time spent up to now is 76.2 secs Computing kpt #: 263 total cpu time spent up to now is 76.5 secs Computing kpt #: 264 total cpu time spent up to now is 76.6 secs Computing kpt #: 265 total cpu time spent up to now is 76.7 secs Computing kpt #: 266 total cpu time spent up to now is 76.9 secs Computing kpt #: 267 total cpu time spent up to now is 77.1 secs Computing kpt #: 268 total cpu time spent up to now is 77.2 secs Computing kpt #: 269 total cpu time spent up to now is 77.4 secs Computing kpt #: 270 total cpu time spent up to now is 77.6 secs Computing kpt #: 271 total cpu time spent up to now is 77.7 secs Computing kpt #: 272 total cpu time spent up to now is 77.8 secs Computing kpt #: 273 total cpu time spent up to now is 77.9 secs Computing kpt #: 274 total cpu time spent up to now is 78.0 secs Computing kpt #: 275 total cpu time spent up to now is 78.1 secs Computing kpt #: 276 total cpu time spent up to now is 78.2 secs Computing kpt #: 277 total cpu time spent up to now is 78.3 secs Computing kpt #: 278 total cpu time spent up to now is 78.5 secs Computing kpt #: 279 total cpu time spent up to now is 78.6 secs Computing kpt #: 280 total cpu time spent up to now is 78.7 secs Computing kpt #: 281 total cpu time spent up to now is 78.8 secs Computing kpt #: 282 total cpu time spent up to now is 78.9 secs Computing kpt #: 283 total cpu time spent up to now is 79.0 secs Computing kpt #: 284 total cpu time spent up to now is 79.1 secs Computing kpt #: 285 total cpu time spent up to now is 79.3 secs Computing kpt #: 286 total cpu time spent up to now is 79.4 secs Computing kpt #: 287 total cpu time spent up to now is 79.5 secs Computing kpt #: 288 total cpu time spent up to now is 79.6 secs Computing kpt #: 289 total cpu time spent up to now is 79.7 secs Computing kpt #: 290 total cpu time spent up to now is 79.9 secs Computing kpt #: 291 total cpu time spent up to now is 80.0 secs Computing kpt #: 292 total cpu time spent up to now is 80.1 secs Computing kpt #: 293 total cpu time spent up to now is 80.2 secs Computing kpt #: 294 total cpu time spent up to now is 80.4 secs Computing kpt #: 295 total cpu time spent up to now is 80.5 secs Computing kpt #: 296 total cpu time spent up to now is 80.7 secs Computing kpt #: 297 total cpu time spent up to now is 80.8 secs Computing kpt #: 298 total cpu time spent up to now is 81.0 secs Computing kpt #: 299 total cpu time spent up to now is 81.1 secs Computing kpt #: 300 total cpu time spent up to now is 81.3 secs Computing kpt #: 301 total cpu time spent up to now is 81.4 secs Computing kpt #: 302 total cpu time spent up to now is 81.6 secs Computing kpt #: 303 total cpu time spent up to now is 81.8 secs Computing kpt #: 304 total cpu time spent up to now is 82.0 secs Computing kpt #: 305 total cpu time spent up to now is 82.1 secs Computing kpt #: 306 total cpu time spent up to now is 82.3 secs Computing kpt #: 307 total cpu time spent up to now is 82.5 secs Computing kpt #: 308 total cpu time spent up to now is 82.6 secs Computing kpt #: 309 total cpu time spent up to now is 82.7 secs Computing kpt #: 310 total cpu time spent up to now is 82.8 secs Computing kpt #: 311 total cpu time spent up to now is 83.0 secs Computing kpt #: 312 total cpu time spent up to now is 83.1 secs Computing kpt #: 313 total cpu time spent up to now is 83.2 secs Computing kpt #: 314 total cpu time spent up to now is 83.4 secs Computing kpt #: 315 total cpu time spent up to now is 83.5 secs Computing kpt #: 316 total cpu time spent up to now is 83.6 secs Computing kpt #: 317 total cpu time spent up to now is 83.8 secs Computing kpt #: 318 total cpu time spent up to now is 83.9 secs Computing kpt #: 319 total cpu time spent up to now is 84.0 secs Computing kpt #: 320 total cpu time spent up to now is 84.2 secs Computing kpt #: 321 total cpu time spent up to now is 84.3 secs Computing kpt #: 322 total cpu time spent up to now is 84.4 secs Computing kpt #: 323 total cpu time spent up to now is 84.5 secs Computing kpt #: 324 total cpu time spent up to now is 84.7 secs Computing kpt #: 325 total cpu time spent up to now is 84.8 secs Computing kpt #: 326 total cpu time spent up to now is 84.9 secs Computing kpt #: 327 total cpu time spent up to now is 85.0 secs Computing kpt #: 328 total cpu time spent up to now is 85.2 secs Computing kpt #: 329 total cpu time spent up to now is 85.3 secs Computing kpt #: 330 total cpu time spent up to now is 85.4 secs Computing kpt #: 331 total cpu time spent up to now is 85.5 secs Computing kpt #: 332 total cpu time spent up to now is 85.7 secs Computing kpt #: 333 total cpu time spent up to now is 85.8 secs Computing kpt #: 334 total cpu time spent up to now is 85.9 secs Computing kpt #: 335 total cpu time spent up to now is 86.0 secs Computing kpt #: 336 total cpu time spent up to now is 86.1 secs Computing kpt #: 337 total cpu time spent up to now is 86.3 secs Computing kpt #: 338 total cpu time spent up to now is 86.4 secs Computing kpt #: 339 total cpu time spent up to now is 86.5 secs Computing kpt #: 340 total cpu time spent up to now is 86.7 secs Computing kpt #: 341 total cpu time spent up to now is 86.8 secs Computing kpt #: 342 total cpu time spent up to now is 86.9 secs Computing kpt #: 343 total cpu time spent up to now is 87.1 secs Computing kpt #: 344 total cpu time spent up to now is 87.2 secs Computing kpt #: 345 total cpu time spent up to now is 87.3 secs Computing kpt #: 346 total cpu time spent up to now is 87.5 secs Computing kpt #: 347 total cpu time spent up to now is 87.7 secs Computing kpt #: 348 total cpu time spent up to now is 87.8 secs Computing kpt #: 349 total cpu time spent up to now is 88.0 secs Computing kpt #: 350 total cpu time spent up to now is 88.1 secs Computing kpt #: 351 total cpu time spent up to now is 88.2 secs Computing kpt #: 352 total cpu time spent up to now is 88.4 secs Computing kpt #: 353 total cpu time spent up to now is 88.5 secs Computing kpt #: 354 total cpu time spent up to now is 88.7 secs Computing kpt #: 355 total cpu time spent up to now is 88.8 secs Computing kpt #: 356 total cpu time spent up to now is 88.9 secs Computing kpt #: 357 total cpu time spent up to now is 89.0 secs Computing kpt #: 358 total cpu time spent up to now is 89.2 secs Computing kpt #: 359 total cpu time spent up to now is 89.3 secs Computing kpt #: 360 total cpu time spent up to now is 89.5 secs Computing kpt #: 361 total cpu time spent up to now is 89.6 secs Computing kpt #: 362 total cpu time spent up to now is 89.7 secs Computing kpt #: 363 total cpu time spent up to now is 89.9 secs Computing kpt #: 364 total cpu time spent up to now is 90.0 secs Computing kpt #: 365 total cpu time spent up to now is 90.1 secs Computing kpt #: 366 total cpu time spent up to now is 90.3 secs Computing kpt #: 367 total cpu time spent up to now is 90.4 secs Computing kpt #: 368 total cpu time spent up to now is 90.6 secs Computing kpt #: 369 total cpu time spent up to now is 90.7 secs Computing kpt #: 370 total cpu time spent up to now is 90.8 secs Computing kpt #: 371 total cpu time spent up to now is 91.0 secs Computing kpt #: 372 total cpu time spent up to now is 91.1 secs Computing kpt #: 373 total cpu time spent up to now is 91.3 secs Computing kpt #: 374 total cpu time spent up to now is 91.4 secs Computing kpt #: 375 total cpu time spent up to now is 91.5 secs Computing kpt #: 376 total cpu time spent up to now is 91.6 secs Computing kpt #: 377 total cpu time spent up to now is 91.7 secs Computing kpt #: 378 total cpu time spent up to now is 91.9 secs Computing kpt #: 379 total cpu time spent up to now is 92.0 secs Computing kpt #: 380 total cpu time spent up to now is 92.1 secs Computing kpt #: 381 total cpu time spent up to now is 92.2 secs Computing kpt #: 382 total cpu time spent up to now is 92.3 secs Computing kpt #: 383 total cpu time spent up to now is 92.4 secs Computing kpt #: 384 total cpu time spent up to now is 92.5 secs Computing kpt #: 385 total cpu time spent up to now is 92.7 secs Computing kpt #: 386 total cpu time spent up to now is 92.8 secs Computing kpt #: 387 total cpu time spent up to now is 92.9 secs Computing kpt #: 388 total cpu time spent up to now is 93.1 secs Computing kpt #: 389 total cpu time spent up to now is 93.3 secs Computing kpt #: 390 total cpu time spent up to now is 93.4 secs Computing kpt #: 391 total cpu time spent up to now is 93.5 secs Computing kpt #: 392 total cpu time spent up to now is 93.7 secs Computing kpt #: 393 total cpu time spent up to now is 93.8 secs Computing kpt #: 394 total cpu time spent up to now is 94.0 secs Computing kpt #: 395 total cpu time spent up to now is 94.2 secs Computing kpt #: 396 total cpu time spent up to now is 94.3 secs Computing kpt #: 397 total cpu time spent up to now is 94.4 secs Computing kpt #: 398 total cpu time spent up to now is 94.5 secs Computing kpt #: 399 total cpu time spent up to now is 94.6 secs Computing kpt #: 400 total cpu time spent up to now is 94.7 secs Computing kpt #: 401 total cpu time spent up to now is 94.9 secs Computing kpt #: 402 total cpu time spent up to now is 95.0 secs Computing kpt #: 403 total cpu time spent up to now is 95.1 secs Computing kpt #: 404 total cpu time spent up to now is 95.2 secs Computing kpt #: 405 total cpu time spent up to now is 95.3 secs Computing kpt #: 406 total cpu time spent up to now is 95.4 secs Computing kpt #: 407 total cpu time spent up to now is 95.6 secs Computing kpt #: 408 total cpu time spent up to now is 95.7 secs Computing kpt #: 409 total cpu time spent up to now is 95.8 secs Computing kpt #: 410 total cpu time spent up to now is 96.0 secs Computing kpt #: 411 total cpu time spent up to now is 96.1 secs Computing kpt #: 412 total cpu time spent up to now is 96.3 secs Computing kpt #: 413 total cpu time spent up to now is 96.4 secs Computing kpt #: 414 total cpu time spent up to now is 96.5 secs Computing kpt #: 415 total cpu time spent up to now is 96.6 secs Computing kpt #: 416 total cpu time spent up to now is 96.8 secs Computing kpt #: 417 total cpu time spent up to now is 96.9 secs Computing kpt #: 418 total cpu time spent up to now is 97.0 secs Computing kpt #: 419 total cpu time spent up to now is 97.1 secs Computing kpt #: 420 total cpu time spent up to now is 97.3 secs Computing kpt #: 421 total cpu time spent up to now is 97.4 secs Computing kpt #: 422 total cpu time spent up to now is 97.5 secs Computing kpt #: 423 total cpu time spent up to now is 97.6 secs Computing kpt #: 424 total cpu time spent up to now is 97.7 secs Computing kpt #: 425 total cpu time spent up to now is 97.9 secs Computing kpt #: 426 total cpu time spent up to now is 98.0 secs Computing kpt #: 427 total cpu time spent up to now is 98.1 secs Computing kpt #: 428 total cpu time spent up to now is 98.2 secs Computing kpt #: 429 total cpu time spent up to now is 98.4 secs Computing kpt #: 430 total cpu time spent up to now is 98.5 secs Computing kpt #: 431 total cpu time spent up to now is 98.7 secs Computing kpt #: 432 total cpu time spent up to now is 98.9 secs Computing kpt #: 433 total cpu time spent up to now is 99.1 secs Computing kpt #: 434 total cpu time spent up to now is 99.3 secs Computing kpt #: 435 total cpu time spent up to now is 99.5 secs Computing kpt #: 436 total cpu time spent up to now is 99.7 secs Computing kpt #: 437 total cpu time spent up to now is 99.8 secs Computing kpt #: 438 total cpu time spent up to now is 100.0 secs Computing kpt #: 439 total cpu time spent up to now is 100.1 secs Computing kpt #: 440 total cpu time spent up to now is 100.2 secs Computing kpt #: 441 total cpu time spent up to now is 100.4 secs Computing kpt #: 442 total cpu time spent up to now is 100.5 secs Computing kpt #: 443 total cpu time spent up to now is 100.6 secs Computing kpt #: 444 total cpu time spent up to now is 100.7 secs Computing kpt #: 445 total cpu time spent up to now is 100.9 secs Computing kpt #: 446 total cpu time spent up to now is 101.0 secs Computing kpt #: 447 total cpu time spent up to now is 101.1 secs Computing kpt #: 448 total cpu time spent up to now is 101.2 secs Computing kpt #: 449 total cpu time spent up to now is 101.3 secs Computing kpt #: 450 total cpu time spent up to now is 101.5 secs Computing kpt #: 451 total cpu time spent up to now is 101.6 secs Computing kpt #: 452 total cpu time spent up to now is 101.7 secs Computing kpt #: 453 total cpu time spent up to now is 101.8 secs Computing kpt #: 454 total cpu time spent up to now is 101.9 secs Computing kpt #: 455 total cpu time spent up to now is 102.1 secs Computing kpt #: 456 total cpu time spent up to now is 102.2 secs Computing kpt #: 457 total cpu time spent up to now is 102.4 secs Computing kpt #: 458 total cpu time spent up to now is 102.5 secs Computing kpt #: 459 total cpu time spent up to now is 102.6 secs Computing kpt #: 460 total cpu time spent up to now is 102.7 secs Computing kpt #: 461 total cpu time spent up to now is 102.8 secs ethr = 1.25E-10, avg # of iterations = 16.9 total cpu time spent up to now is 102.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -6.2115 -6.2115 9.2862 9.2862 9.3273 9.3273 9.3273 9.3273 12.6965 12.6965 12.7423 12.7423 12.7423 12.7423 16.7515 16.7515 k = 0.0071-0.0041 0.0058 ( 729 PWs) bands (ev): -6.2103 -6.2103 9.2808 9.2808 9.3213 9.3213 9.3224 9.3224 12.6999 12.6999 12.7434 12.7434 12.7495 12.7495 16.7551 16.7551 k = 0.0143-0.0082 0.0117 ( 733 PWs) bands (ev): -6.2066 -6.2066 9.2646 9.2646 9.3038 9.3038 9.3078 9.3078 12.7039 12.7039 12.7532 12.7532 12.7710 12.7710 16.7660 16.7660 k = 0.0214-0.0124 0.0175 ( 733 PWs) bands (ev): -6.2004 -6.2004 9.2376 9.2376 9.2751 9.2751 9.2842 9.2842 12.6976 12.6976 12.7819 12.7819 12.8064 12.8064 16.7839 16.7839 k = 0.0286-0.0165 0.0233 ( 733 PWs) bands (ev): -6.1918 -6.1918 9.2003 9.2003 9.2360 9.2360 9.2520 9.2520 12.6822 12.6822 12.8279 12.8279 12.8550 12.8550 16.8082 16.8082 k = 0.0357-0.0206 0.0292 ( 733 PWs) bands (ev): -6.1807 -6.1807 9.1531 9.1531 9.1873 9.1873 9.2116 9.2116 12.6606 12.6606 12.8878 12.8878 12.9159 12.9159 16.8381 16.8381 k = 0.0429-0.0247 0.0350 ( 733 PWs) bands (ev): -6.1671 -6.1671 9.0970 9.0970 9.1300 9.1300 9.1634 9.1634 12.6339 12.6339 12.9595 12.9595 12.9880 12.9880 16.8727 16.8727 k = 0.0500-0.0289 0.0408 ( 733 PWs) bands (ev): -6.1510 -6.1510 9.0331 9.0331 9.0651 9.0651 9.1076 9.1076 12.6028 12.6028 13.0417 13.0417 13.0705 13.0705 16.9108 16.9108 k = 0.0571-0.0330 0.0467 ( 733 PWs) bands (ev): -6.1325 -6.1325 8.9623 8.9623 8.9937 8.9937 9.0444 9.0444 12.5676 12.5676 13.1334 13.1334 13.1622 13.1622 16.9508 16.9508 k = 0.0643-0.0371 0.0525 ( 733 PWs) bands (ev): -6.1116 -6.1116 8.8858 8.8858 8.9167 8.9167 8.9741 8.9741 12.5288 12.5288 13.2334 13.2334 13.2621 13.2621 16.9910 16.9910 k = 0.0714-0.0412 0.0583 ( 733 PWs) bands (ev): -6.0881 -6.0881 8.8045 8.8045 8.8349 8.8349 8.8971 8.8971 12.4868 12.4868 13.3408 13.3408 13.3695 13.3695 17.0293 17.0293 k = 0.0786-0.0454 0.0642 ( 733 PWs) bands (ev): -6.0623 -6.0623 8.7191 8.7191 8.7494 8.7494 8.8136 8.8136 12.4418 12.4418 13.4547 13.4547 13.4834 13.4834 17.0631 17.0631 k = 0.0857-0.0495 0.0700 ( 733 PWs) bands (ev): -6.0340 -6.0340 8.6305 8.6305 8.6606 8.6606 8.7241 8.7241 12.3942 12.3942 13.5745 13.5745 13.6031 13.6031 17.0895 17.0895 k = 0.0929-0.0536 0.0758 ( 737 PWs) bands (ev): -6.0032 -6.0032 8.5391 8.5391 8.5693 8.5693 8.6288 8.6288 12.3444 12.3444 13.6994 13.6994 13.7279 13.7279 17.1052 17.1052 k = 0.1000-0.0577 0.0816 ( 737 PWs) bands (ev): -5.9700 -5.9700 8.4456 8.4456 8.4761 8.4761 8.5282 8.5282 12.2926 12.2926 13.8290 13.8290 13.8574 13.8574 17.1069 17.1069 k = 0.1071-0.0619 0.0875 ( 737 PWs) bands (ev): -5.9343 -5.9343 8.3503 8.3503 8.3814 8.3814 8.4228 8.4228 12.2391 12.2391 13.9626 13.9626 13.9909 13.9909 17.0914 17.0914 k = 0.1143-0.0660 0.0933 ( 737 PWs) bands (ev): -5.8963 -5.8963 8.2534 8.2534 8.2856 8.2856 8.3131 8.3131 12.1843 12.1843 14.0998 14.0998 14.1280 14.1280 17.0562 17.0562 k = 0.1214-0.0701 0.0991 ( 745 PWs) bands (ev): -5.8558 -5.8558 8.1542 8.1542 8.1891 8.1891 8.2003 8.2003 12.1281 12.1281 14.2399 14.2399 14.2681 14.2681 16.9997 16.9997 k = 0.1286-0.0742 0.1050 ( 745 PWs) bands (ev): -5.8129 -5.8129 8.0507 8.0507 8.0874 8.0874 8.0923 8.0923 12.0712 12.0712 14.3833 14.3833 14.4113 14.4113 16.9220 16.9220 k = 0.1357-0.0784 0.1108 ( 753 PWs) bands (ev): -5.7676 -5.7676 7.9379 7.9379 7.9798 7.9798 7.9954 7.9954 12.0134 12.0134 14.5289 14.5289 14.5569 14.5569 16.8242 16.8242 k = 0.1429-0.0825 0.1166 ( 753 PWs) bands (ev): -5.7198 -5.7198 7.8153 7.8153 7.8785 7.8785 7.8987 7.8987 11.9553 11.9553 14.6771 14.6771 14.7051 14.7051 16.7087 16.7087 k = 0.1500-0.0866 0.1225 ( 753 PWs) bands (ev): -5.6697 -5.6697 7.6867 7.6867 7.7802 7.7802 7.8024 7.8024 11.8968 11.8968 14.8273 14.8273 14.8552 14.8552 16.5782 16.5782 k = 0.1571-0.0907 0.1283 ( 745 PWs) bands (ev): -5.6172 -5.6172 7.5539 7.5539 7.6835 7.6835 7.7067 7.7067 11.8383 11.8383 14.9796 14.9796 15.0075 15.0075 16.4355 16.4355 k = 0.1643-0.0949 0.1341 ( 745 PWs) bands (ev): -5.5623 -5.5623 7.4177 7.4177 7.5879 7.5879 7.6118 7.6118 11.7798 11.7798 15.1334 15.1334 15.1611 15.1611 16.2833 16.2833 k = 0.1714-0.0990 0.1400 ( 745 PWs) bands (ev): -5.5050 -5.5050 7.2784 7.2784 7.4935 7.4935 7.5177 7.5177 11.7213 11.7213 15.2884 15.2884 15.3162 15.3162 16.1239 16.1239 k = 0.1786-0.1031 0.1458 ( 745 PWs) bands (ev): -5.4454 -5.4454 7.1365 7.1365 7.4002 7.4002 7.4246 7.4246 11.6634 11.6634 15.4449 15.4449 15.4726 15.4726 15.9592 15.9592 k = 0.1857-0.1072 0.1516 ( 745 PWs) bands (ev): -5.3834 -5.3834 6.9921 6.9921 7.3081 7.3081 7.3327 7.3327 11.6059 11.6059 15.6024 15.6024 15.6302 15.6302 15.7910 15.7910 k = 0.1929-0.1113 0.1575 ( 745 PWs) bands (ev): -5.3191 -5.3191 6.8454 6.8454 7.2173 7.2173 7.2421 7.2421 11.5490 11.5490 15.6197 15.6197 15.7617 15.7617 15.7889 15.7889 k = 0.2000-0.1155 0.1633 ( 745 PWs) bands (ev): -5.2525 -5.2525 6.6966 6.6966 7.1279 7.1279 7.1528 7.1528 11.4929 11.4929 15.4481 15.4481 15.9211 15.9211 15.9485 15.9485 k = 0.2071-0.1196 0.1691 ( 745 PWs) bands (ev): -5.1836 -5.1836 6.5458 6.5458 7.0399 7.0399 7.0649 7.0649 11.4377 11.4377 15.2760 15.2760 16.0815 16.0815 16.1088 16.1088 k = 0.2143-0.1237 0.1750 ( 745 PWs) bands (ev): -5.1123 -5.1123 6.3932 6.3932 6.9535 6.9535 6.9785 6.9785 11.3834 11.3834 15.1043 15.1043 16.2426 16.2426 16.2699 16.2699 k = 0.2214-0.1278 0.1808 ( 745 PWs) bands (ev): -5.0388 -5.0388 6.2390 6.2390 6.8686 6.8686 6.8937 6.8937 11.3302 11.3302 14.9337 14.9337 16.4044 16.4044 16.4316 16.4316 k = 0.2286-0.1320 0.1866 ( 745 PWs) bands (ev): -4.9631 -4.9631 6.0831 6.0831 6.7855 6.7855 6.8106 6.8106 11.2781 11.2781 14.7645 14.7645 16.5666 16.5666 16.5937 16.5937 k = 0.2357-0.1361 0.1925 ( 733 PWs) bands (ev): -4.8850 -4.8850 5.9259 5.9259 6.7041 6.7041 6.7293 6.7293 11.2273 11.2273 14.5974 14.5974 16.7295 16.7295 16.7566 16.7566 k = 0.2429-0.1402 0.1983 ( 729 PWs) bands (ev): -4.8048 -4.8048 5.7674 5.7674 6.6244 6.6244 6.6496 6.6496 11.1779 11.1779 14.4327 14.4327 16.8925 16.8925 16.9195 16.9195 k = 0.2500-0.1443 0.2041 ( 729 PWs) bands (ev): -4.7224 -4.7224 5.6076 5.6076 6.5465 6.5465 6.5717 6.5717 11.1298 11.1298 14.2704 14.2704 17.0557 17.0557 17.0826 17.0826 k = 0.2571-0.1485 0.2100 ( 729 PWs) bands (ev): -4.6378 -4.6378 5.4468 5.4468 6.4704 6.4704 6.4956 6.4956 11.0832 11.0832 14.1109 14.1109 17.2190 17.2190 17.2459 17.2459 k = 0.2643-0.1526 0.2158 ( 729 PWs) bands (ev): -4.5510 -4.5510 5.2850 5.2850 6.3962 6.3962 6.4215 6.4215 11.0382 11.0382 13.9545 13.9545 17.3823 17.3823 17.4091 17.4091 k = 0.2714-0.1567 0.2216 ( 729 PWs) bands (ev): -4.4621 -4.4621 5.1223 5.1223 6.3240 6.3240 6.3492 6.3492 10.9948 10.9948 13.8013 13.8013 17.5457 17.5457 17.5724 17.5724 k = 0.2786-0.1608 0.2275 ( 729 PWs) bands (ev): -4.3711 -4.3711 4.9589 4.9589 6.2537 6.2537 6.2790 6.2790 10.9531 10.9531 13.6514 13.6514 17.7089 17.7089 17.7355 17.7355 k = 0.2857-0.1650 0.2333 ( 737 PWs) bands (ev): -4.2780 -4.2780 4.7949 4.7949 6.1854 6.1854 6.2107 6.2107 10.9130 10.9130 13.5048 13.5048 17.8716 17.8716 17.8982 17.8982 k = 0.2929-0.1691 0.2391 ( 737 PWs) bands (ev): -4.1829 -4.1829 4.6303 4.6303 6.1191 6.1191 6.1444 6.1444 10.8749 10.8749 13.3620 13.3620 18.0343 18.0343 18.0607 18.0607 k = 0.3000-0.1732 0.2449 ( 745 PWs) bands (ev): -4.0859 -4.0859 4.4652 4.4652 6.0549 6.0549 6.0802 6.0802 10.8382 10.8382 13.2224 13.2224 18.1963 18.1963 18.2227 18.2227 k = 0.3071-0.1773 0.2508 ( 745 PWs) bands (ev): -3.9868 -3.9868 4.2999 4.2999 5.9927 5.9927 6.0180 6.0180 10.8038 10.8038 13.0869 13.0869 18.3581 18.3581 18.3843 18.3843 k = 0.3143-0.1815 0.2566 ( 741 PWs) bands (ev): -3.8858 -3.8858 4.1344 4.1344 5.9327 5.9327 5.9580 5.9580 10.7714 10.7714 12.9553 12.9553 18.5193 18.5193 18.5454 18.5454 k = 0.3214-0.1856 0.2624 ( 741 PWs) bands (ev): -3.7830 -3.7830 3.9689 3.9689 5.8747 5.8747 5.9000 5.9000 10.7410 10.7410 12.8273 12.8273 18.6796 18.6796 18.7055 18.7055 k = 0.3286-0.1897 0.2683 ( 749 PWs) bands (ev): -3.6784 -3.6784 3.8033 3.8033 5.8189 5.8189 5.8442 5.8442 10.7126 10.7126 12.7029 12.7029 18.8387 18.8387 18.8646 18.8646 k = 0.3357-0.1938 0.2741 ( 749 PWs) bands (ev): -3.5720 -3.5720 3.6380 3.6380 5.7652 5.7652 5.7906 5.7906 10.6863 10.6863 12.5827 12.5827 18.9970 18.9970 19.0228 19.0228 k = 0.3429-0.1979 0.2799 ( 749 PWs) bands (ev): -3.4640 -3.4640 3.4730 3.4730 5.7138 5.7138 5.7391 5.7391 10.6622 10.6622 12.4664 12.4664 19.1540 19.1540 19.1796 19.1796 k = 0.3500-0.2021 0.2858 ( 749 PWs) bands (ev): -3.3544 -3.3544 3.3085 3.3085 5.6645 5.6645 5.6898 5.6898 10.6403 10.6403 12.3539 12.3539 19.3095 19.3095 19.3350 19.3350 k = 0.3571-0.2062 0.2916 ( 745 PWs) bands (ev): -3.2433 -3.2433 3.1446 3.1446 5.6174 5.6174 5.6427 5.6427 10.6207 10.6207 12.2456 12.2456 19.4634 19.4634 19.4887 19.4887 k = 0.3643-0.2103 0.2974 ( 753 PWs) bands (ev): -3.1308 -3.1308 2.9815 2.9815 5.5725 5.5725 5.5978 5.5978 10.6031 10.6031 12.1408 12.1408 19.6148 19.6148 19.6400 19.6400 k = 0.3714-0.2144 0.3033 ( 753 PWs) bands (ev): -3.0171 -3.0171 2.8194 2.8194 5.5299 5.5299 5.5552 5.5552 10.5880 10.5880 12.0401 12.0401 19.7644 19.7644 19.7894 19.7894 k = 0.3786-0.2186 0.3091 ( 753 PWs) bands (ev): -2.9022 -2.9022 2.6584 2.6584 5.4895 5.4895 5.5148 5.5148 10.5751 10.5751 11.9433 11.9433 19.9114 19.9114 19.9363 19.9363 k = 0.3857-0.2227 0.3149 ( 753 PWs) bands (ev): -2.7865 -2.7865 2.4989 2.4989 5.4513 5.4513 5.4767 5.4767 10.5646 10.5646 11.8503 11.8503 20.0555 20.0555 20.0803 20.0803 k = 0.3929-0.2268 0.3208 ( 753 PWs) bands (ev): -2.6700 -2.6700 2.3410 2.3410 5.4154 5.4154 5.4408 5.4408 10.5564 10.5564 11.7613 11.7613 20.1963 20.1963 20.2209 20.2209 k = 0.4000-0.2309 0.3266 ( 749 PWs) bands (ev): -2.5530 -2.5530 2.1851 2.1851 5.3818 5.3818 5.4072 5.4072 10.5507 10.5507 11.6762 11.6762 20.3333 20.3333 20.3577 20.3577 k = 0.4071-0.2351 0.3324 ( 749 PWs) bands (ev): -2.4359 -2.4359 2.0316 2.0316 5.3505 5.3505 5.3759 5.3759 10.5472 10.5472 11.5950 11.5950 20.4659 20.4659 20.4902 20.4902 k = 0.4143-0.2392 0.3383 ( 749 PWs) bands (ev): -2.3191 -2.3191 1.8808 1.8808 5.3215 5.3215 5.3468 5.3468 10.5461 10.5461 11.5177 11.5177 20.5936 20.5936 20.6177 20.6177 k = 0.4214-0.2433 0.3441 ( 749 PWs) bands (ev): -2.2029 -2.2029 1.7332 1.7332 5.2947 5.2947 5.3201 5.3201 10.5472 10.5472 11.4443 11.4443 20.7157 20.7157 20.7396 20.7396 k = 0.4286-0.2474 0.3499 ( 749 PWs) bands (ev): -2.0881 -2.0881 1.5896 1.5896 5.2703 5.2703 5.2957 5.2957 10.5507 10.5507 11.3750 11.3750 20.8315 20.8315 20.8552 20.8552 k = 0.4357-0.2516 0.3558 ( 745 PWs) bands (ev): -1.9753 -1.9753 1.4506 1.4506 5.2482 5.2482 5.2735 5.2735 10.5563 10.5563 11.3099 11.3099 20.9403 20.9403 20.9639 20.9639 k = 0.4429-0.2557 0.3616 ( 745 PWs) bands (ev): -1.8655 -1.8655 1.3174 1.3174 5.2284 5.2284 5.2537 5.2537 10.5640 10.5640 11.2489 11.2489 21.0411 21.0411 21.0645 21.0645 k = 0.4500-0.2598 0.3674 ( 745 PWs) bands (ev): -1.7599 -1.7599 1.1911 1.1911 5.2109 5.2109 5.2363 5.2363 10.5735 10.5735 11.1923 11.1923 21.1330 21.1330 21.1562 21.1562 k = 0.4571-0.2639 0.3733 ( 745 PWs) bands (ev): -1.6602 -1.6602 1.0733 1.0733 5.1957 5.1957 5.2211 5.2211 10.5846 10.5846 11.1404 11.1404 21.2152 21.2152 21.2383 21.2383 k = 0.4643-0.2681 0.3791 ( 741 PWs) bands (ev): -1.5684 -1.5684 0.9661 0.9661 5.1829 5.1829 5.2083 5.2083 10.5969 10.5969 11.0936 11.0936 21.2871 21.2871 21.3100 21.3100 k = 0.4714-0.2722 0.3849 ( 740 PWs) bands (ev): -1.4868 -1.4868 0.8720 0.8720 5.1724 5.1724 5.1977 5.1977 10.6096 10.6096 11.0528 11.0528 21.3471 21.3471 21.3698 21.3698 k = 0.4786-0.2763 0.3908 ( 740 PWs) bands (ev): -1.4184 -1.4184 0.7938 0.7938 5.1642 5.1642 5.1896 5.1896 10.6218 10.6218 11.0186 11.0186 21.3947 21.3947 21.4174 21.4174 k = 0.4857-0.2804 0.3966 ( 740 PWs) bands (ev): -1.3664 -1.3664 0.7348 0.7348 5.1584 5.1584 5.1837 5.1837 10.6323 10.6323 10.9924 10.9924 21.4292 21.4292 21.4519 21.4519 k = 0.4929-0.2846 0.4024 ( 740 PWs) bands (ev): -1.3337 -1.3337 0.6979 0.6979 5.1549 5.1549 5.1802 5.1802 10.6395 10.6395 10.9758 10.9758 21.4502 21.4502 21.4728 21.4728 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -1.3225 -1.3225 0.6853 0.6853 5.1537 5.1537 5.1791 5.1791 10.6421 10.6421 10.9701 10.9701 21.4572 21.4572 21.4798 21.4798 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -1.3225 -1.3225 0.6853 0.6853 5.1537 5.1537 5.1791 5.1791 10.6421 10.6421 10.9701 10.9701 21.4572 21.4572 21.4798 21.4798 k = 0.5000-0.2804 0.4141 ( 740 PWs) bands (ev): -1.3220 -1.3220 0.6859 0.6863 5.1496 5.1506 5.1754 5.1755 10.6479 10.6485 10.9767 10.9767 21.4516 21.4534 21.4757 21.4758 k = 0.5000-0.2722 0.4199 ( 740 PWs) bands (ev): -1.3206 -1.3205 0.6882 0.6890 5.1383 5.1404 5.1646 5.1647 10.6658 10.6671 10.9964 10.9965 21.4330 21.4370 21.4667 21.4673 k = 0.5000-0.2639 0.4257 ( 740 PWs) bands (ev): -1.3181 -1.3180 0.6920 0.6932 5.1201 5.1233 5.1469 5.1470 10.6958 10.6977 11.0292 11.0293 21.3984 21.4043 21.4565 21.4572 k = 0.5000-0.2557 0.4316 ( 740 PWs) bands (ev): -1.3146 -1.3146 0.6973 0.6990 5.0951 5.0995 5.1225 5.1225 10.7375 10.7400 11.0746 11.0748 21.3487 21.3560 21.4441 21.4446 k = 0.5000-0.2474 0.4374 ( 740 PWs) bands (ev): -1.3102 -1.3101 0.7043 0.7063 5.0638 5.0693 5.0918 5.0920 10.7906 10.7936 11.1324 11.1326 21.2848 21.2935 21.4280 21.4285 k = 0.5000-0.2392 0.4432 ( 744 PWs) bands (ev): -1.3049 -1.3048 0.7128 0.7152 5.0265 5.0332 5.0553 5.0557 10.8545 10.8580 11.2021 11.2023 21.2073 21.2173 21.4075 21.4078 k = 0.5000-0.2309 0.4491 ( 748 PWs) bands (ev): -1.2986 -1.2986 0.7228 0.7256 4.9837 4.9916 5.0136 5.0142 10.9287 10.9327 11.2831 11.2835 21.1168 21.1281 21.3812 21.3814 k = 0.5000-0.2227 0.4549 ( 748 PWs) bands (ev): -1.2915 -1.2914 0.7343 0.7376 4.9358 4.9450 4.9672 4.9681 11.0130 11.0175 11.3751 11.3755 21.0141 21.0265 21.3484 21.3484 k = 0.5000-0.2144 0.4607 ( 750 PWs) bands (ev): -1.2836 -1.2835 0.7472 0.7509 4.8835 4.8938 4.9170 4.9182 11.1066 11.1115 11.4774 11.4777 20.8997 20.9132 21.3072 21.3073 k = 0.5000-0.2062 0.4666 ( 746 PWs) bands (ev): -1.2749 -1.2748 0.7616 0.7657 4.8273 4.8387 4.8635 4.8649 11.2093 11.2146 11.5894 11.5898 20.7746 20.7890 21.2560 21.2563 k = 0.5000-0.1979 0.4724 ( 754 PWs) bands (ev): -1.2655 -1.2654 0.7772 0.7818 4.7678 4.7801 4.8073 4.8088 11.3196 11.3252 11.7106 11.7110 20.6389 20.6542 21.1924 21.1929 k = 0.5000-0.1897 0.4782 ( 754 PWs) bands (ev): -1.2555 -1.2553 0.7941 0.7992 4.7054 4.7186 4.7491 4.7507 11.4377 11.4436 11.8404 11.8408 20.4942 20.5102 21.1148 21.1154 k = 0.5000-0.1815 0.4841 ( 746 PWs) bands (ev): -1.2448 -1.2446 0.8123 0.8179 4.6409 4.6549 4.6895 4.6910 11.5633 11.5694 11.9784 11.9788 20.3411 20.3578 21.0207 21.0215 k = 0.5000-0.1732 0.4899 ( 746 PWs) bands (ev): -1.2336 -1.2334 0.8315 0.8376 4.5746 4.5893 4.6288 4.6303 11.6949 11.7012 12.1239 12.1244 20.1800 20.1973 20.9084 20.9094 k = 0.5000-0.1650 0.4957 ( 746 PWs) bands (ev): -1.2220 -1.2218 0.8518 0.8584 4.5071 4.5225 4.5677 4.5691 11.8326 11.8391 12.2765 12.2770 20.0121 20.0299 20.7771 20.7782 k = 0.5000-0.1567 0.5016 ( 746 PWs) bands (ev): -1.2100 -1.2098 0.8730 0.8801 4.4390 4.4550 4.5066 4.5079 11.9757 11.9823 12.4358 12.4363 19.8381 19.8563 20.6269 20.6281 k = 0.5000-0.1485 0.5074 ( 742 PWs) bands (ev): -1.1978 -1.1976 0.8950 0.9026 4.3707 4.3873 4.4460 4.4471 12.1240 12.1307 12.6013 12.6019 19.6591 19.6777 20.4592 20.4605 k = 0.5000-0.1402 0.5132 ( 742 PWs) bands (ev): -1.1854 -1.1851 0.9177 0.9258 4.3026 4.3198 4.3862 4.3872 12.2766 12.2834 12.7728 12.7733 19.4753 19.4942 20.2759 20.2772 k = 0.5000-0.1320 0.5191 ( 742 PWs) bands (ev): -1.1729 -1.1726 0.9409 0.9496 4.2352 4.2530 4.3276 4.3285 12.4333 12.4401 12.9497 12.9503 19.2877 19.3069 20.0793 20.0807 k = 0.5000-0.1237 0.5249 ( 742 PWs) bands (ev): -1.1604 -1.1601 0.9644 0.9737 4.1689 4.1874 4.2707 4.2715 12.5935 12.6003 13.1318 13.1324 19.0972 19.1167 19.8720 19.8733 k = 0.5000-0.1155 0.5307 ( 742 PWs) bands (ev): -1.1480 -1.1477 0.9882 0.9981 4.1042 4.1233 4.2158 4.2165 12.7567 12.7635 13.3187 13.3193 18.9045 18.9242 19.6559 19.6572 k = 0.5000-0.1072 0.5366 ( 742 PWs) bands (ev): -1.1359 -1.1356 1.0120 1.0224 4.0415 4.0611 4.1632 4.1638 12.9225 12.9291 13.5102 13.5109 18.7103 18.7303 19.4331 19.4344 k = 0.5000-0.0990 0.5424 ( 742 PWs) bands (ev): -1.1241 -1.1238 1.0355 1.0466 3.9811 4.0014 4.1132 4.1137 13.0901 13.0966 13.7060 13.7066 18.5156 18.5359 19.2052 19.2064 k = 0.5000-0.0907 0.5482 ( 738 PWs) bands (ev): -1.1127 -1.1124 1.0586 1.0703 3.9236 3.9444 4.0661 4.0665 13.2590 13.2653 13.9057 13.9064 18.3213 18.3419 18.9734 18.9746 k = 0.5000-0.0825 0.5541 ( 742 PWs) bands (ev): -1.1019 -1.1016 1.0811 1.0933 3.8691 3.8906 4.0222 4.0226 13.4282 13.4342 14.1091 14.1098 18.1280 18.1490 18.7388 18.7399 k = 0.5000-0.0742 0.5599 ( 742 PWs) bands (ev): -1.0917 -1.0914 1.1025 1.1154 3.8183 3.8403 3.9817 3.9820 13.5967 13.6024 14.3160 14.3167 17.9374 17.9587 18.5025 18.5036 k = 0.5000-0.0660 0.5657 ( 742 PWs) bands (ev): -1.0823 -1.0820 1.1228 1.1362 3.7715 3.7940 3.9449 3.9451 13.7633 13.7685 14.5260 14.5267 17.7506 17.7725 18.2652 18.2662 k = 0.5000-0.0577 0.5715 ( 746 PWs) bands (ev): -1.0738 -1.0734 1.1415 1.1554 3.7290 3.7521 3.9119 3.9120 13.9262 13.9310 14.7386 14.7393 17.5695 17.5919 18.0276 18.0286 k = 0.5000-0.0495 0.5774 ( 740 PWs) bands (ev): -1.0662 -1.0658 1.1585 1.1729 3.6913 3.7149 3.8829 3.8830 14.0836 14.0878 14.9537 14.9545 17.3966 17.4197 17.7907 17.7916 k = 0.5000-0.0412 0.5832 ( 738 PWs) bands (ev): -1.0596 -1.0592 1.1735 1.1883 3.6586 3.6827 3.8581 3.8582 14.2319 14.2353 15.1705 15.1712 17.2348 17.2587 17.5551 17.5560 k = 0.5000-0.0330 0.5890 ( 738 PWs) bands (ev): -1.0541 -1.0537 1.1861 1.2013 3.6314 3.6558 3.8376 3.8377 14.3672 14.3698 15.3878 15.3886 17.0881 17.1130 17.3221 17.3229 k = 0.5000-0.0247 0.5949 ( 744 PWs) bands (ev): -1.0498 -1.0494 1.1961 1.2116 3.6099 3.6347 3.8216 3.8216 14.4839 14.4856 15.6037 15.6044 16.9618 16.9879 17.0941 17.0946 k = 0.5000-0.0165 0.6007 ( 744 PWs) bands (ev): -1.0466 -1.0463 1.2035 1.2192 3.5944 3.6194 3.8100 3.8101 14.5756 14.5764 15.8127 15.8135 16.8587 16.8767 16.8813 16.8907 k = 0.5000-0.0082 0.6065 ( 744 PWs) bands (ev): -1.0447 -1.0444 1.2079 1.2238 3.5850 3.6101 3.8031 3.8031 14.6347 14.6349 15.9973 15.9979 16.6847 16.6869 16.8026 16.8285 k = 0.5000 0.0000 0.6124 ( 744 PWs) bands (ev): -1.0441 -1.0437 1.2094 1.2254 3.5819 3.6070 3.8008 3.8008 14.6552 14.6552 16.0880 16.0885 16.5924 16.5945 16.7805 16.8069 k = 0.5000 0.0000 0.6124 ( 744 PWs) bands (ev): -1.0441 -1.0437 1.2094 1.2254 3.5819 3.6070 3.8008 3.8008 14.6552 14.6552 16.0880 16.0885 16.5924 16.5945 16.7805 16.8069 k = 0.4950 0.0087 0.6124 ( 744 PWs) bands (ev): -1.0462 -1.0458 1.2095 1.2255 3.5725 3.5970 3.8130 3.8187 14.6410 14.6411 16.0372 16.0405 16.6413 16.6434 16.7992 16.8251 k = 0.4900 0.0173 0.6124 ( 744 PWs) bands (ev): -1.0520 -1.0517 1.2095 1.2254 3.5475 3.5708 3.8525 3.8619 14.5953 14.5958 15.9330 15.9374 16.7587 16.7614 16.8425 16.8676 k = 0.4850 0.0260 0.6124 ( 744 PWs) bands (ev): -1.0610 -1.0607 1.2090 1.2247 3.5143 3.5364 3.9113 3.9225 14.5150 14.5163 15.8265 15.8306 16.8846 16.8984 16.9207 16.9381 k = 0.4800 0.0346 0.6124 ( 742 PWs) bands (ev): -1.0726 -1.0723 1.2077 1.2232 3.4779 3.4991 3.9833 3.9954 14.4009 14.4031 15.7364 15.7395 16.9618 16.9841 17.0756 17.0839 k = 0.4750 0.0433 0.6124 ( 742 PWs) bands (ev): -1.0862 -1.0859 1.2054 1.2208 3.4406 3.4611 4.0654 4.0777 14.2574 14.2605 15.6658 15.6678 17.0422 17.0648 17.2450 17.2523 k = 0.4700 0.0520 0.6124 ( 735 PWs) bands (ev): -1.1014 -1.1011 1.2021 1.2173 3.4036 3.4236 4.1556 4.1680 14.0915 14.0955 15.6119 15.6129 17.1313 17.1537 17.4200 17.4271 k = 0.4650 0.0606 0.6124 ( 739 PWs) bands (ev): -1.1176 -1.1174 1.1977 1.2128 3.3676 3.3872 4.2524 4.2646 13.9102 13.9148 15.5699 15.5705 17.2277 17.2499 17.5983 17.6055 k = 0.4600 0.0693 0.6124 ( 739 PWs) bands (ev): -1.1346 -1.1345 1.1925 1.2073 3.3329 3.3522 4.3547 4.3666 13.7197 13.7248 15.5360 15.5372 17.3309 17.3527 17.7792 17.7866 k = 0.4550 0.0779 0.6124 ( 742 PWs) bands (ev): -1.1520 -1.1519 1.1865 1.2011 3.2997 3.3188 4.4614 4.4730 13.5244 13.5299 15.5078 15.5097 17.4396 17.4612 17.9618 17.9694 k = 0.4500 0.0866 0.6124 ( 742 PWs) bands (ev): -1.1695 -1.1694 1.1799 1.1943 3.2683 3.2872 4.5714 4.5825 13.3278 13.3334 15.4837 15.4861 17.5530 17.5742 18.1460 18.1538 k = 0.4450 0.0953 0.6124 ( 742 PWs) bands (ev): -1.1868 -1.1867 1.1727 1.1870 3.2386 3.2573 4.6836 4.6943 13.1324 13.1382 15.4625 15.4654 17.6701 17.6910 18.3308 18.3389 k = 0.4400 0.1039 0.6124 ( 740 PWs) bands (ev): -1.2037 -1.2036 1.1653 1.1794 3.2107 3.2293 4.7970 4.8071 12.9405 12.9463 15.4435 15.4469 17.7902 17.8108 18.5158 18.5242 k = 0.4350 0.1126 0.6124 ( 740 PWs) bands (ev): -1.2200 -1.2199 1.1578 1.1718 3.1848 3.2033 4.9103 4.9199 12.7537 12.7594 15.4263 15.4300 17.9122 17.9325 18.6999 18.7088 k = 0.4300 0.1212 0.6124 ( 740 PWs) bands (ev): -1.2355 -1.2354 1.1503 1.1641 3.1609 3.1792 5.0224 5.0314 12.5734 12.5790 15.4106 15.4146 18.0357 18.0556 18.8823 18.8919 k = 0.4250 0.1299 0.6124 ( 740 PWs) bands (ev): -1.2501 -1.2500 1.1429 1.1566 3.1389 3.1571 5.1321 5.1405 12.4015 12.4070 15.3963 15.4005 18.1596 18.1791 19.0616 19.0719 k = 0.4200 0.1386 0.6124 ( 740 PWs) bands (ev): -1.2636 -1.2635 1.1359 1.1495 3.1189 3.1371 5.2380 5.2457 12.2393 12.2445 15.3834 15.3878 18.2831 18.3022 19.2360 19.2472 k = 0.4150 0.1472 0.6124 ( 741 PWs) bands (ev): -1.2759 -1.2759 1.1293 1.1428 3.1010 3.1191 5.3386 5.3457 12.0882 12.0932 15.3717 15.3763 18.4053 18.4239 19.4025 19.4151 k = 0.4100 0.1559 0.6124 ( 740 PWs) bands (ev): -1.2870 -1.2870 1.1232 1.1367 3.0852 3.1033 5.4327 5.4390 11.9499 11.9545 15.3615 15.3662 18.5251 18.5430 19.5573 19.5717 k = 0.4050 0.1645 0.6124 ( 740 PWs) bands (ev): -1.2968 -1.2968 1.1178 1.1312 3.0714 3.0895 5.5185 5.5241 11.8258 11.8301 15.3525 15.3574 18.6410 18.6579 19.6947 19.7114 k = 0.4000 0.1732 0.6124 ( 738 PWs) bands (ev): -1.3052 -1.3051 1.1131 1.1264 3.0598 3.0778 5.5946 5.5994 11.7176 11.7214 15.3449 15.3499 18.7509 18.7667 19.8070 19.8267 k = 0.3950 0.1819 0.6124 ( 738 PWs) bands (ev): -1.3121 -1.3120 1.1091 1.1224 3.0502 3.0682 5.6596 5.6634 11.6266 11.6299 15.3386 15.3436 18.8522 18.8663 19.8873 19.9099 k = 0.3900 0.1905 0.6124 ( 738 PWs) bands (ev): -1.3175 -1.3175 1.1060 1.1192 3.0428 3.0607 5.7119 5.7148 11.5541 11.5570 15.3337 15.3388 18.9409 18.9527 19.9332 19.9581 k = 0.3850 0.1992 0.6124 ( 742 PWs) bands (ev): -1.3214 -1.3214 1.1037 1.1169 3.0375 3.0554 5.7503 5.7523 11.5012 11.5036 15.3301 15.3353 19.0121 19.0208 19.9512 19.9774 k = 0.3800 0.2078 0.6124 ( 740 PWs) bands (ev): -1.3238 -1.3237 1.1024 1.1155 3.0343 3.0522 5.7740 5.7750 11.4692 11.4714 15.3280 15.3332 19.0598 19.0644 19.9542 19.9807 k = 0.3750 0.2165 0.6124 ( 740 PWs) bands (ev): -1.3245 -1.3245 1.1019 1.1151 3.0332 3.0511 5.7823 5.7824 11.4585 11.4605 15.3273 15.3325 19.0779 19.0782 19.9536 19.9802 k = 0.3750 0.2165 0.6124 ( 740 PWs) bands (ev): -1.3245 -1.3245 1.1019 1.1151 3.0332 3.0511 5.7823 5.7824 11.4585 11.4605 15.3273 15.3325 19.0779 19.0782 19.9536 19.9802 k = 0.3699 0.2136 0.6041 ( 740 PWs) bands (ev): -1.3557 -1.3556 1.1337 1.1474 2.9859 3.0043 5.8315 5.8316 11.5127 11.5148 15.5982 15.6033 18.9330 18.9332 19.8548 19.8819 k = 0.3649 0.2107 0.5958 ( 740 PWs) bands (ev): -1.3927 -1.3925 1.1673 1.1813 2.9484 2.9672 5.8824 5.8825 11.5687 11.5709 15.8710 15.8759 18.7876 18.7879 19.7545 19.7820 k = 0.3598 0.2077 0.5875 ( 738 PWs) bands (ev): -1.4357 -1.4355 1.2029 1.2174 2.9207 2.9399 5.9349 5.9350 11.6265 11.6289 16.1453 16.1499 18.6421 18.6423 19.6528 19.6806 k = 0.3547 0.2048 0.5793 ( 734 PWs) bands (ev): -1.4850 -1.4847 1.2410 1.2557 2.9027 2.9222 5.9890 5.9891 11.6861 11.6886 16.4203 16.4245 18.4966 18.4968 19.5498 19.5779 k = 0.3497 0.2019 0.5710 ( 734 PWs) bands (ev): -1.5404 -1.5400 1.2817 1.2966 2.8942 2.9139 6.0446 6.0447 11.7473 11.7500 16.6949 16.6987 18.3512 18.3514 19.4453 19.4735 k = 0.3446 0.1990 0.5627 ( 734 PWs) bands (ev): -1.6018 -1.6014 1.3254 1.3404 2.8948 2.9147 6.1017 6.1018 11.8103 11.8130 16.9683 16.9714 18.2062 18.2064 19.3399 19.3680 k = 0.3395 0.1960 0.5544 ( 740 PWs) bands (ev): -1.6690 -1.6685 1.3723 1.3874 2.9041 2.9241 6.1603 6.1603 11.8747 11.8776 17.2386 17.2408 18.0617 18.0618 19.2340 19.2619 k = 0.3345 0.1931 0.5462 ( 740 PWs) bands (ev): -1.7417 -1.7412 1.4227 1.4378 2.9217 2.9417 6.2202 6.2203 11.9408 11.9438 17.5032 17.5042 17.9179 17.9181 19.1300 19.1575 k = 0.3294 0.1902 0.5379 ( 740 PWs) bands (ev): -1.8195 -1.8189 1.4768 1.4918 2.9470 2.9669 6.2815 6.2816 12.0083 12.0115 17.7540 17.7545 17.7766 17.7769 19.0312 19.0580 k = 0.3243 0.1872 0.5296 ( 740 PWs) bands (ev): -1.9019 -1.9013 1.5347 1.5496 2.9795 2.9993 6.3441 6.3441 12.0773 12.0805 17.6325 17.6326 17.9843 17.9867 18.9460 18.9715 k = 0.3193 0.1843 0.5213 ( 740 PWs) bands (ev): -1.9886 -1.9879 1.5964 1.6113 3.0187 3.0384 6.4078 6.4079 12.1475 12.1509 17.4914 17.4916 18.1643 18.1678 18.8933 18.9150 k = 0.3142 0.1814 0.5131 ( 740 PWs) bands (ev): -2.0789 -2.0782 1.6620 1.6768 3.0641 3.0836 6.4728 6.4728 12.2191 12.2226 17.3515 17.3516 18.2564 18.2575 18.8961 18.9079 k = 0.3091 0.1785 0.5048 ( 736 PWs) bands (ev): -2.1725 -2.1718 1.7316 1.7462 3.1153 3.1347 6.5388 6.5388 12.2921 12.2957 17.2128 17.2130 18.2445 18.2480 18.9219 18.9226 k = 0.3041 0.1755 0.4965 ( 736 PWs) bands (ev): -2.2689 -2.2682 1.8050 1.8195 3.1717 3.1910 6.6059 6.6059 12.3658 12.3696 17.0754 17.0756 18.1692 18.1758 18.8986 18.9041 k = 0.2990 0.1726 0.4882 ( 740 PWs) bands (ev): -2.3677 -2.3670 1.8822 1.8966 3.2332 3.2522 6.6738 6.6739 12.4404 12.4443 16.9394 16.9395 18.0656 18.0736 18.8402 18.8451 k = 0.2939 0.1697 0.4800 ( 744 PWs) bands (ev): -2.4683 -2.4676 1.9631 1.9774 3.2992 3.3181 6.7426 6.7427 12.5158 12.5198 16.8047 16.8049 17.9490 17.9575 18.7664 18.7698 k = 0.2889 0.1668 0.4717 ( 744 PWs) bands (ev): -2.5705 -2.5699 2.0478 2.0619 3.3696 3.3883 6.8123 6.8123 12.5919 12.5961 16.6717 16.6719 17.8259 17.8346 18.6874 18.6892 k = 0.2838 0.1638 0.4634 ( 744 PWs) bands (ev): -2.6739 -2.6733 2.1360 2.1501 3.4440 3.4626 6.8827 6.8827 12.6685 12.6728 16.5404 16.5405 17.6996 17.7081 18.6073 18.6077 k = 0.2787 0.1609 0.4551 ( 750 PWs) bands (ev): -2.7782 -2.7775 2.2277 2.2417 3.5222 3.5406 6.9536 6.9537 12.7454 12.7499 16.4107 16.4108 17.5712 17.5797 18.5272 18.5280 k = 0.2736 0.1580 0.4469 ( 750 PWs) bands (ev): -2.8830 -2.8823 2.3228 2.3367 3.6039 3.6222 7.0251 7.0252 12.8226 12.8272 16.2828 16.2829 17.4426 17.4509 18.4486 18.4503 k = 0.2686 0.1551 0.4386 ( 750 PWs) bands (ev): -2.9880 -2.9874 2.4212 2.4350 3.6890 3.7072 7.0971 7.0971 12.8997 12.9045 16.1567 16.1568 17.3141 17.3222 18.3724 18.3749 k = 0.2635 0.1521 0.4303 ( 754 PWs) bands (ev): -3.0931 -3.0925 2.5228 2.5366 3.7774 3.7954 7.1694 7.1694 12.9766 12.9815 16.0323 16.0324 17.1861 17.1941 18.2990 18.3021 k = 0.2584 0.1492 0.4220 ( 754 PWs) bands (ev): -3.1979 -3.1974 2.6275 2.6412 3.8687 3.8867 7.2419 7.2420 13.0530 13.0581 15.9100 15.9101 17.0590 17.0670 18.2284 18.2320 k = 0.2534 0.1463 0.4138 ( 754 PWs) bands (ev): -3.3024 -3.3018 2.7352 2.7489 3.9630 3.9809 7.3146 7.3146 13.1287 13.1339 15.7896 15.7897 16.9332 16.9412 18.1609 18.1650 k = 0.2483 0.1434 0.4055 ( 754 PWs) bands (ev): -3.4062 -3.4057 2.8459 2.8596 4.0600 4.0778 7.3873 7.3874 13.2034 13.2088 15.6711 15.6713 16.8088 16.8168 18.0968 18.1011 k = 0.2432 0.1404 0.3972 ( 754 PWs) bands (ev): -3.5093 -3.5088 2.9594 2.9731 4.1597 4.1774 7.4600 7.4600 13.2769 13.2824 15.5548 15.5549 16.6859 16.6941 18.0361 18.0407 k = 0.2382 0.1375 0.3889 ( 750 PWs) bands (ev): -3.6114 -3.6110 3.0757 3.0894 4.2619 4.2796 7.5324 7.5325 13.3487 13.3543 15.4405 15.4407 16.5648 16.5731 17.9791 17.9839 k = 0.2331 0.1346 0.3807 ( 750 PWs) bands (ev): -3.7125 -3.7121 3.1947 3.2084 4.3665 4.3842 7.6046 7.6046 13.4185 13.4243 15.3283 15.3285 16.4455 16.4539 17.9260 17.9308 k = 0.2280 0.1317 0.3724 ( 750 PWs) bands (ev): -3.8124 -3.8120 3.3163 3.3301 4.4734 4.4911 7.6763 7.6764 13.4860 13.4920 15.2182 15.2184 16.3281 16.3367 17.8769 17.8817 k = 0.2230 0.1287 0.3641 ( 746 PWs) bands (ev): -3.9110 -3.9106 3.4405 3.4543 4.5826 4.6003 7.7476 7.7476 13.5508 13.5570 15.1105 15.1107 16.2127 16.2215 17.8320 17.8369 k = 0.2179 0.1258 0.3558 ( 746 PWs) bands (ev): -4.0082 -4.0079 3.5671 3.5810 4.6939 4.7116 7.8181 7.8182 13.6125 13.6188 15.0048 15.0050 16.0993 16.1084 17.7916 17.7964 k = 0.2128 0.1229 0.3476 ( 746 PWs) bands (ev): -4.1039 -4.1036 3.6962 3.7101 4.8073 4.8250 7.8879 7.8879 13.6707 13.6771 14.9011 14.9013 15.9884 15.9977 17.7559 17.7605 k = 0.2078 0.1200 0.3393 ( 746 PWs) bands (ev): -4.1981 -4.1978 3.8276 3.8415 4.9226 4.9403 7.9568 7.9568 13.7248 13.7314 14.7999 14.8001 15.8793 15.8890 17.7249 17.7293 k = 0.2027 0.1170 0.3310 ( 746 PWs) bands (ev): -4.2906 -4.2903 3.9613 3.9753 5.0397 5.0575 8.0247 8.0248 13.7746 13.7812 14.7009 14.7011 15.7726 15.7825 17.6988 17.7030 k = 0.1976 0.1141 0.3227 ( 746 PWs) bands (ev): -4.3813 -4.3811 4.0971 4.1112 5.1587 5.1765 8.0915 8.0916 13.8195 13.8263 14.6042 14.6045 15.6681 15.6783 17.6777 17.6817 k = 0.1926 0.1112 0.3145 ( 746 PWs) bands (ev): -4.4703 -4.4701 4.2351 4.2493 5.2793 5.2972 8.1571 8.1571 13.8591 13.8660 14.5098 14.5101 15.5660 15.5765 17.6617 17.6654 k = 0.1875 0.1083 0.3062 ( 758 PWs) bands (ev): -4.5575 -4.5573 4.3751 4.3893 5.4015 5.4194 8.2212 8.2213 13.8932 13.9002 14.4176 14.4179 15.4661 15.4769 17.6505 17.6540 k = 0.1824 0.1053 0.2979 ( 750 PWs) bands (ev): -4.6427 -4.6425 4.5172 4.5315 5.5253 5.5433 8.2841 8.2841 13.9215 13.9286 14.3280 14.3284 15.3692 15.3802 17.6445 17.6477 k = 0.1774 0.1024 0.2896 ( 750 PWs) bands (ev): -4.7260 -4.7258 4.6611 4.6755 5.6505 5.6685 8.3453 8.3454 13.9434 13.9506 14.2406 14.2412 15.2744 15.2857 17.6431 17.6459 k = 0.1723 0.0995 0.2814 ( 748 PWs) bands (ev): -4.8073 -4.8071 4.8069 4.8214 5.7769 5.7951 8.4050 8.4050 13.9589 13.9663 14.1557 14.1564 15.1823 15.1937 17.6461 17.6485 k = 0.1672 0.0966 0.2731 ( 748 PWs) bands (ev): -4.8865 -4.8864 4.9544 4.9690 5.9046 5.9228 8.4629 8.4630 13.9675 13.9752 14.0731 14.0743 15.0926 15.1042 17.6529 17.6550 k = 0.1622 0.0936 0.2648 ( 748 PWs) bands (ev): -4.9637 -4.9636 5.1037 5.1183 6.0334 6.0516 8.5191 8.5191 13.9670 13.9774 13.9930 13.9971 15.0055 15.0171 17.6630 17.6647 k = 0.1571 0.0907 0.2565 ( 749 PWs) bands (ev): -5.0388 -5.0387 5.2545 5.2692 6.1631 6.1814 8.5733 8.5734 13.9134 13.9151 13.9687 13.9731 14.9209 14.9324 17.6757 17.6769 k = 0.1520 0.0878 0.2483 ( 749 PWs) bands (ev): -5.1117 -5.1116 5.4068 5.4216 6.2937 6.3121 8.6257 8.6257 13.8391 13.8397 13.9571 13.9621 14.8387 14.8500 17.6901 17.6909 k = 0.1470 0.0848 0.2400 ( 749 PWs) bands (ev): -5.1825 -5.1824 5.5604 5.5753 6.4250 6.4435 8.6761 8.6761 13.7665 13.7668 13.9399 13.9447 14.7588 14.7698 17.7052 17.7057 k = 0.1419 0.0819 0.2317 ( 753 PWs) bands (ev): -5.2511 -5.2510 5.7154 5.7304 6.5568 6.5754 8.7244 8.7244 13.6961 13.6963 13.9169 13.9213 14.6810 14.6914 17.7200 17.7200 k = 0.1368 0.0790 0.2234 ( 753 PWs) bands (ev): -5.3174 -5.3173 5.8715 5.8866 6.6891 6.7078 8.7706 8.7707 13.6281 13.6282 13.8883 13.8920 14.6051 14.6149 17.7328 17.7332 k = 0.1318 0.0761 0.2152 ( 753 PWs) bands (ev): -5.3815 -5.3814 6.0287 6.0438 6.8217 6.8404 8.8148 8.8149 13.5626 13.5626 13.8545 13.8575 14.5308 14.5399 17.7428 17.7435 k = 0.1267 0.0731 0.2069 ( 753 PWs) bands (ev): -5.4433 -5.4433 6.1868 6.2020 6.9543 6.9731 8.8569 8.8570 13.4995 13.4995 13.8161 13.8183 14.4576 14.4658 17.7486 17.7497 k = 0.1216 0.0702 0.1986 ( 753 PWs) bands (ev): -5.5028 -5.5028 6.3457 6.3609 7.0869 7.1057 8.8970 8.8970 13.4388 13.4389 13.7736 13.7748 14.3852 14.3924 17.7491 17.7506 k = 0.1166 0.0673 0.1903 ( 755 PWs) bands (ev): -5.5601 -5.5600 6.5051 6.5204 7.2191 7.2379 8.9349 8.9349 13.3806 13.3807 13.7275 13.7276 14.3131 14.3192 17.7431 17.7449 k = 0.1115 0.0644 0.1821 ( 759 PWs) bands (ev): -5.6150 -5.6149 6.6649 6.6803 7.3508 7.3696 8.9707 8.9707 13.3249 13.3250 13.6774 13.6783 14.2408 14.2458 17.7297 17.7317 k = 0.1064 0.0614 0.1738 ( 755 PWs) bands (ev): -5.6675 -5.6675 6.8250 6.8404 7.4818 7.5006 9.0044 9.0045 13.2716 13.2718 13.6249 13.6268 14.1682 14.1720 17.7083 17.7105 k = 0.1014 0.0585 0.1655 ( 747 PWs) bands (ev): -5.7177 -5.7177 6.9852 7.0005 7.6117 7.6305 9.0361 9.0362 13.2209 13.2211 13.5706 13.5735 14.0948 14.0974 17.6787 17.6810 k = 0.0963 0.0556 0.1572 ( 751 PWs) bands (ev): -5.7655 -5.7655 7.1450 7.1603 7.7403 7.7590 9.0658 9.0659 13.1726 13.1728 13.5146 13.5184 14.0199 14.0213 17.6408 17.6431 k = 0.0912 0.0527 0.1490 ( 751 PWs) bands (ev): -5.8110 -5.8109 7.3042 7.3195 7.8673 7.8858 9.0936 9.0937 13.1267 13.1269 13.4577 13.4624 13.9435 13.9438 17.5951 17.5975 k = 0.0861 0.0497 0.1407 ( 747 PWs) bands (ev): -5.8540 -5.8540 7.4626 7.4778 7.9923 8.0107 9.1194 9.1195 13.0833 13.0836 13.4003 13.4058 13.8647 13.8655 17.5426 17.5449 k = 0.0811 0.0468 0.1324 ( 747 PWs) bands (ev): -5.8946 -5.8946 7.6197 7.6348 8.1150 8.1332 9.1434 9.1435 13.0424 13.0427 13.3427 13.3489 13.7839 13.7858 17.4845 17.4867 k = 0.0760 0.0439 0.1241 ( 741 PWs) bands (ev): -5.9329 -5.9328 7.7752 7.7902 8.2350 8.2528 9.1655 9.1656 13.0040 13.0043 13.2853 13.2921 13.7017 13.7045 17.4220 17.4240 k = 0.0709 0.0410 0.1159 ( 741 PWs) bands (ev): -5.9686 -5.9686 7.9284 7.9432 8.3518 8.3693 9.1859 9.1860 12.9680 12.9684 13.2284 13.2357 13.6178 13.6216 17.3565 17.3583 k = 0.0659 0.0380 0.1076 ( 737 PWs) bands (ev): -6.0020 -6.0020 8.0790 8.0935 8.4649 8.4820 9.2046 9.2047 12.9345 12.9349 13.1725 13.1801 13.5329 13.5375 17.2896 17.2912 k = 0.0608 0.0351 0.0993 ( 737 PWs) bands (ev): -6.0329 -6.0329 8.2260 8.2402 8.5739 8.5904 9.2216 9.2218 12.9034 12.9039 13.1177 13.1255 13.4471 13.4523 17.2226 17.2239 k = 0.0557 0.0322 0.0910 ( 737 PWs) bands (ev): -6.0614 -6.0614 8.3689 8.3827 8.6780 8.6939 9.2370 9.2372 12.8747 12.8752 13.0646 13.0725 13.3611 13.3668 17.1567 17.1578 k = 0.0507 0.0293 0.0828 ( 737 PWs) bands (ev): -6.0874 -6.0874 8.5066 8.5199 8.7768 8.7920 9.2510 9.2512 12.8484 12.8491 13.0137 13.0214 13.2756 13.2817 17.0932 17.0941 k = 0.0456 0.0263 0.0745 ( 737 PWs) bands (ev): -6.1109 -6.1109 8.6383 8.6509 8.8695 8.8839 9.2634 9.2637 12.8245 12.8253 12.9653 12.9727 13.1916 13.1978 17.0331 17.0338 k = 0.0405 0.0234 0.0662 ( 737 PWs) bands (ev): -6.1320 -6.1320 8.7625 8.7745 8.9555 8.9689 9.2745 9.2747 12.8030 12.8038 12.9200 12.9269 13.1101 13.1164 16.9773 16.9778 k = 0.0355 0.0205 0.0579 ( 737 PWs) bands (ev): -6.1506 -6.1506 8.8781 8.8891 9.0341 9.0463 9.2842 9.2845 12.7836 12.7846 12.8785 12.8846 13.0326 13.0386 16.9266 16.9269 k = 0.0304 0.0176 0.0497 ( 737 PWs) bands (ev): -6.1668 -6.1668 8.9833 8.9932 9.1045 9.1153 9.2927 9.2930 12.7663 12.7674 12.8413 12.8465 12.9607 12.9662 16.8814 16.8816 k = 0.0253 0.0146 0.0414 ( 737 PWs) bands (ev): -6.1805 -6.1805 9.0763 9.0849 9.1660 9.1754 9.3001 9.3005 12.7507 12.7521 12.8093 12.8132 12.8960 12.9008 16.8425 16.8426 k = 0.0203 0.0117 0.0331 ( 737 PWs) bands (ev): -6.1916 -6.1916 9.1551 9.1620 9.2184 9.2259 9.3066 9.3070 12.7363 12.7378 12.7833 12.7857 12.8407 12.8444 16.8101 16.8102 k = 0.0152 0.0088 0.0248 ( 737 PWs) bands (ev): -6.2003 -6.2003 9.2171 9.2215 9.2617 9.2666 9.3127 9.3130 12.7227 12.7240 12.7640 12.7651 12.7967 12.7991 16.7846 16.7846 k = 0.0101 0.0059 0.0166 ( 731 PWs) bands (ev): -6.2066 -6.2066 9.2590 9.2607 9.2960 9.2980 9.3188 9.3191 12.7101 12.7107 12.7514 12.7517 12.7658 12.7668 16.7662 16.7662 k = 0.0051 0.0029 0.0083 ( 727 PWs) bands (ev): -6.2103 -6.2103 9.2803 9.2806 9.3191 9.3194 9.3247 9.3247 12.7003 12.7004 12.7445 12.7445 12.7480 12.7482 16.7552 16.7552 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -6.2115 -6.2115 9.2862 9.2862 9.3273 9.3273 9.3273 9.3273 12.6965 12.6965 12.7423 12.7423 12.7423 12.7423 16.7515 16.7515 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -6.2115 -6.2115 9.2862 9.2862 9.3273 9.3273 9.3273 9.3273 12.6965 12.6965 12.7423 12.7423 12.7423 12.7423 16.7515 16.7515 k = 0.0082 0.0047 0.0033 ( 731 PWs) bands (ev): -6.2103 -6.2103 9.2804 9.2804 9.3194 9.3194 9.3249 9.3249 12.7004 12.7004 12.7455 12.7455 12.7469 12.7469 16.7551 16.7551 k = 0.0164 0.0095 0.0067 ( 731 PWs) bands (ev): -6.2066 -6.2066 9.2574 9.2574 9.3018 9.3018 9.3179 9.3179 12.7117 12.7117 12.7550 12.7550 12.7606 12.7606 16.7660 16.7660 k = 0.0246 0.0142 0.0100 ( 737 PWs) bands (ev): -6.2006 -6.2006 9.2084 9.2084 9.2842 9.2842 9.3064 9.3064 12.7297 12.7297 12.7707 12.7707 12.7833 12.7833 16.7841 16.7841 k = 0.0328 0.0189 0.0134 ( 737 PWs) bands (ev): -6.1920 -6.1920 9.1360 9.1360 9.2660 9.2660 9.2905 9.2905 12.7535 12.7535 12.7925 12.7925 12.8142 12.8142 16.8095 16.8095 k = 0.0410 0.0237 0.0167 ( 737 PWs) bands (ev): -6.1810 -6.1810 9.0441 9.0441 9.2449 9.2449 9.2705 9.2705 12.7826 12.7826 12.8200 12.8200 12.8518 12.8518 16.8421 16.8421 k = 0.0492 0.0284 0.0201 ( 737 PWs) bands (ev): -6.1676 -6.1676 8.9354 8.9354 9.2204 9.2204 9.2466 9.2466 12.8166 12.8166 12.8529 12.8529 12.8944 12.8944 16.8817 16.8817 k = 0.0574 0.0331 0.0234 ( 737 PWs) bands (ev): -6.1518 -6.1518 8.8123 8.8123 9.1925 9.1925 9.2191 9.2191 12.8554 12.8554 12.8909 12.8909 12.9401 12.9401 16.9283 16.9283 k = 0.0656 0.0379 0.0268 ( 737 PWs) bands (ev): -6.1335 -6.1335 8.6765 8.6765 9.1614 9.1614 9.1883 9.1883 12.8985 12.8985 12.9335 12.9335 12.9872 12.9872 16.9816 16.9816 k = 0.0738 0.0426 0.0301 ( 737 PWs) bands (ev): -6.1129 -6.1129 8.5298 8.5298 9.1274 9.1274 9.1545 9.1545 12.9455 12.9455 12.9803 12.9803 13.0343 13.0343 17.0414 17.0414 k = 0.0820 0.0473 0.0335 ( 737 PWs) bands (ev): -6.0898 -6.0898 8.3738 8.3738 9.0909 9.0909 9.1181 9.1181 12.9960 12.9960 13.0307 13.0307 13.0803 13.0803 17.1074 17.1074 k = 0.0902 0.0521 0.0368 ( 737 PWs) bands (ev): -6.0642 -6.0642 8.2099 8.2099 9.0520 9.0520 9.0794 9.0794 13.0494 13.0494 13.0844 13.0844 13.1243 13.1243 17.1792 17.1792 k = 0.0984 0.0568 0.0402 ( 737 PWs) bands (ev): -6.0363 -6.0363 8.0391 8.0391 9.0111 9.0111 9.0386 9.0386 13.1049 13.1049 13.1408 13.1408 13.1659 13.1659 17.2564 17.2564 k = 0.1066 0.0615 0.0435 ( 737 PWs) bands (ev): -6.0060 -6.0060 7.8625 7.8625 8.9686 8.9686 8.9962 8.9962 13.1610 13.1610 13.1995 13.1995 13.2057 13.2057 17.3385 17.3385 k = 0.1148 0.0663 0.0468 ( 743 PWs) bands (ev): -5.9733 -5.9733 7.6810 7.6810 8.9246 8.9246 8.9524 8.9524 13.2130 13.2130 13.2471 13.2471 13.2598 13.2598 17.4250 17.4250 k = 0.1230 0.0710 0.0502 ( 743 PWs) bands (ev): -5.9382 -5.9382 7.4954 7.4954 8.8795 8.8795 8.9074 8.9074 13.2527 13.2527 13.2987 13.2987 13.3214 13.3214 17.5152 17.5152 k = 0.1311 0.0757 0.0535 ( 743 PWs) bands (ev): -5.9008 -5.9008 7.3065 7.3065 8.8335 8.8335 8.8615 8.8615 13.2818 13.2818 13.3576 13.3576 13.3838 13.3838 17.6087 17.6087 k = 0.1393 0.0805 0.0569 ( 740 PWs) bands (ev): -5.8609 -5.8609 7.1148 7.1148 8.7869 8.7869 8.8149 8.8149 13.3051 13.3051 13.4190 13.4190 13.4464 13.4464 17.7049 17.7049 k = 0.1475 0.0852 0.0602 ( 740 PWs) bands (ev): -5.8187 -5.8187 6.9207 6.9207 8.7397 8.7397 8.7679 8.7679 13.3240 13.3240 13.4808 13.4808 13.5088 13.5088 17.8031 17.8031 k = 0.1557 0.0899 0.0636 ( 749 PWs) bands (ev): -5.7743 -5.7743 6.7247 6.7247 8.6924 8.6924 8.7206 8.7206 13.3388 13.3388 13.5421 13.5421 13.5704 13.5704 17.9027 17.9027 k = 0.1639 0.0946 0.0669 ( 748 PWs) bands (ev): -5.7274 -5.7274 6.5274 6.5274 8.6449 8.6449 8.6732 8.6732 13.3506 13.3506 13.6026 13.6026 13.6310 13.6310 18.0033 18.0033 k = 0.1721 0.0994 0.0703 ( 748 PWs) bands (ev): -5.6783 -5.6783 6.3289 6.3289 8.5975 8.5975 8.6259 8.6259 13.3593 13.3593 13.6616 13.6616 13.6900 13.6900 18.1042 18.1042 k = 0.1803 0.1041 0.0736 ( 748 PWs) bands (ev): -5.6268 -5.6268 6.1297 6.1297 8.5503 8.5503 8.5788 8.5788 13.3651 13.3651 13.7187 13.7187 13.7470 13.7470 18.2049 18.2049 k = 0.1885 0.1088 0.0770 ( 751 PWs) bands (ev): -5.5731 -5.5731 5.9300 5.9300 8.5035 8.5035 8.5320 8.5320 13.3686 13.3686 13.7733 13.7733 13.8014 13.8014 18.3049 18.3049 k = 0.1967 0.1136 0.0803 ( 751 PWs) bands (ev): -5.5171 -5.5171 5.7301 5.7301 8.4571 8.4571 8.4857 8.4857 13.3697 13.3697 13.8253 13.8253 13.8533 13.8533 18.4036 18.4036 k = 0.2049 0.1183 0.0837 ( 751 PWs) bands (ev): -5.4589 -5.4589 5.5303 5.5303 8.4113 8.4113 8.4400 8.4400 13.3689 13.3689 13.8743 13.8743 13.9021 13.9021 18.5005 18.5005 k = 0.2131 0.1230 0.0870 ( 745 PWs) bands (ev): -5.3985 -5.3985 5.3307 5.3307 8.3662 8.3662 8.3949 8.3949 13.3663 13.3663 13.9201 13.9201 13.9476 13.9476 18.5952 18.5952 k = 0.2213 0.1278 0.0904 ( 751 PWs) bands (ev): -5.3360 -5.3360 5.1315 5.1315 8.3217 8.3217 8.3506 8.3506 13.3622 13.3622 13.9621 13.9621 13.9894 13.9894 18.6871 18.6871 k = 0.2295 0.1325 0.0937 ( 751 PWs) bands (ev): -5.2713 -5.2713 4.9330 4.9330 8.2781 8.2781 8.3070 8.3070 13.3567 13.3567 14.0005 14.0005 14.0275 14.0275 18.7756 18.7756 k = 0.2377 0.1372 0.0970 ( 751 PWs) bands (ev): -5.2044 -5.2044 4.7354 4.7354 8.2354 8.2354 8.2644 8.2644 13.3501 13.3501 14.0351 14.0351 14.0617 14.0617 18.8605 18.8605 k = 0.2459 0.1420 0.1004 ( 754 PWs) bands (ev): -5.1355 -5.1355 4.5388 4.5388 8.1937 8.1937 8.2227 8.2227 13.3426 13.3426 14.0657 14.0657 14.0920 14.0920 18.9411 18.9411 k = 0.2541 0.1467 0.1037 ( 754 PWs) bands (ev): -5.0645 -5.0645 4.3433 4.3433 8.1529 8.1529 8.1820 8.1820 13.3342 13.3342 14.0924 14.0924 14.1183 14.1183 19.0170 19.0170 k = 0.2623 0.1514 0.1071 ( 757 PWs) bands (ev): -4.9916 -4.9916 4.1491 4.1491 8.1132 8.1132 8.1424 8.1424 13.3249 13.3249 14.1152 14.1152 14.1407 14.1407 19.0878 19.0878 k = 0.2705 0.1562 0.1104 ( 757 PWs) bands (ev): -4.9167 -4.9167 3.9565 3.9565 8.0747 8.0747 8.1039 8.1039 13.3154 13.3154 14.1341 14.1341 14.1592 14.1592 19.1533 19.1533 k = 0.2787 0.1609 0.1138 ( 757 PWs) bands (ev): -4.8400 -4.8400 3.7654 3.7654 8.0372 8.0372 8.0665 8.0665 13.3055 13.3055 14.1494 14.1494 14.1741 14.1741 19.2132 19.2132 k = 0.2869 0.1656 0.1171 ( 757 PWs) bands (ev): -4.7614 -4.7614 3.5761 3.5761 8.0010 8.0010 8.0303 8.0303 13.2952 13.2952 14.1611 14.1611 14.1854 14.1854 19.2671 19.2671 k = 0.2951 0.1704 0.1205 ( 757 PWs) bands (ev): -4.6811 -4.6811 3.3888 3.3888 7.9659 7.9659 7.9953 7.9953 13.2848 13.2848 14.1695 14.1695 14.1934 14.1934 19.3152 19.3152 k = 0.3033 0.1751 0.1238 ( 757 PWs) bands (ev): -4.5991 -4.5991 3.2035 3.2035 7.9321 7.9321 7.9615 7.9615 13.2743 13.2743 14.1749 14.1749 14.1984 14.1984 19.3573 19.3573 k = 0.3115 0.1798 0.1272 ( 757 PWs) bands (ev): -4.5155 -4.5155 3.0205 3.0205 7.8995 7.8995 7.9290 7.9290 13.2638 13.2638 14.1775 14.1775 14.2005 14.2005 19.3936 19.3936 k = 0.3197 0.1846 0.1305 ( 751 PWs) bands (ev): -4.4305 -4.4305 2.8399 2.8399 7.8683 7.8683 7.8978 7.8978 13.2534 13.2534 14.1775 14.1775 14.2002 14.2002 19.4242 19.4242 k = 0.3279 0.1893 0.1339 ( 751 PWs) bands (ev): -4.3442 -4.3442 2.6619 2.6619 7.8383 7.8383 7.8679 7.8679 13.2431 13.2431 14.1753 14.1753 14.1976 14.1976 19.4496 19.4496 k = 0.3361 0.1940 0.1372 ( 751 PWs) bands (ev): -4.2566 -4.2566 2.4866 2.4866 7.8096 7.8096 7.8393 7.8393 13.2329 13.2329 14.1711 14.1711 14.1930 14.1930 19.4701 19.4701 k = 0.3443 0.1988 0.1405 ( 751 PWs) bands (ev): -4.1680 -4.1680 2.3143 2.3143 7.7823 7.7823 7.8120 7.8120 13.2230 13.2230 14.1653 14.1653 14.1868 14.1868 19.4860 19.4860 k = 0.3525 0.2035 0.1439 ( 751 PWs) bands (ev): -4.0786 -4.0786 2.1452 2.1452 7.7564 7.7564 7.7861 7.7861 13.2133 13.2133 14.1580 14.1580 14.1792 14.1792 19.4979 19.4979 k = 0.3607 0.2082 0.1472 ( 757 PWs) bands (ev): -3.9885 -3.9885 1.9796 1.9796 7.7317 7.7317 7.7615 7.7615 13.2038 13.2038 14.1494 14.1494 14.1703 14.1703 19.5061 19.5061 k = 0.3689 0.2130 0.1506 ( 757 PWs) bands (ev): -3.8981 -3.8981 1.8178 1.8178 7.7085 7.7085 7.7383 7.7383 13.1949 13.1949 14.1401 14.1401 14.1607 14.1607 19.5113 19.5113 k = 0.3770 0.2177 0.1539 ( 757 PWs) bands (ev): -3.8075 -3.8075 1.6600 1.6600 7.6866 7.6866 7.7165 7.7165 13.1863 13.1863 14.1303 14.1303 14.1506 14.1506 19.5139 19.5139 k = 0.3852 0.2224 0.1573 ( 757 PWs) bands (ev): -3.7172 -3.7172 1.5067 1.5067 7.6661 7.6661 7.6960 7.6960 13.1781 13.1781 14.1200 14.1200 14.1400 14.1400 19.5144 19.5144 k = 0.3934 0.2272 0.1606 ( 763 PWs) bands (ev): -3.6276 -3.6276 1.3582 1.3582 7.6470 7.6470 7.6769 7.6769 13.1704 13.1704 14.1093 14.1093 14.1291 14.1291 19.5130 19.5130 k = 0.4016 0.2319 0.1640 ( 763 PWs) bands (ev): -3.5391 -3.5391 1.2152 1.2152 7.6293 7.6293 7.6593 7.6593 13.1632 13.1632 14.0988 14.0988 14.1184 14.1184 19.5104 19.5104 k = 0.4098 0.2366 0.1673 ( 760 PWs) bands (ev): -3.4522 -3.4522 1.0781 1.0781 7.6130 7.6130 7.6430 7.6430 13.1566 13.1566 14.0886 14.0886 14.1080 14.1080 19.5068 19.5068 k = 0.4180 0.2414 0.1707 ( 760 PWs) bands (ev): -3.3677 -3.3677 0.9477 0.9477 7.5981 7.5981 7.6282 7.6282 13.1505 13.1505 14.0787 14.0787 14.0979 14.0979 19.5025 19.5025 k = 0.4262 0.2461 0.1740 ( 760 PWs) bands (ev): -3.2862 -3.2862 0.8246 0.8246 7.5847 7.5847 7.6147 7.6147 13.1448 13.1448 14.0693 14.0693 14.0883 14.0883 19.4977 19.4977 k = 0.4344 0.2508 0.1774 ( 757 PWs) bands (ev): -3.2087 -3.2087 0.7098 0.7098 7.5726 7.5726 7.6027 7.6027 13.1398 13.1398 14.0606 14.0606 14.0795 14.0795 19.4929 19.4929 k = 0.4426 0.2555 0.1807 ( 757 PWs) bands (ev): -3.1361 -3.1361 0.6043 0.6043 7.5620 7.5620 7.5921 7.5921 13.1353 13.1353 14.0526 14.0526 14.0713 14.0713 19.4881 19.4881 k = 0.4508 0.2603 0.1840 ( 751 PWs) bands (ev): -3.0695 -3.0695 0.5091 0.5091 7.5528 7.5528 7.5829 7.5829 13.1314 13.1314 14.0456 14.0456 14.0642 14.0642 19.4836 19.4836 k = 0.4590 0.2650 0.1874 ( 757 PWs) bands (ev): -3.0102 -3.0102 0.4255 0.4255 7.5450 7.5450 7.5751 7.5751 13.1280 13.1280 14.0393 14.0393 14.0578 14.0578 19.4795 19.4795 k = 0.4672 0.2697 0.1907 ( 757 PWs) bands (ev): -2.9593 -2.9593 0.3548 0.3548 7.5386 7.5386 7.5687 7.5687 13.1253 13.1253 14.0342 14.0342 14.0526 14.0526 19.4759 19.4759 k = 0.4754 0.2745 0.1941 ( 754 PWs) bands (ev): -2.9181 -2.9181 0.2982 0.2982 7.5336 7.5336 7.5637 7.5637 13.1233 13.1233 14.0301 14.0301 14.0485 14.0485 19.4732 19.4732 k = 0.4836 0.2792 0.1974 ( 754 PWs) bands (ev): -2.8877 -2.8877 0.2568 0.2568 7.5300 7.5300 7.5602 7.5602 13.1218 13.1218 14.0272 14.0272 14.0455 14.0455 19.4711 19.4711 k = 0.4918 0.2839 0.2008 ( 754 PWs) bands (ev): -2.8690 -2.8690 0.2316 0.2316 7.5279 7.5279 7.5581 7.5581 13.1209 13.1209 14.0254 14.0254 14.0437 14.0437 19.4698 19.4698 k = 0.5000 0.2887 0.2041 ( 754 PWs) bands (ev): -2.8628 -2.8628 0.2231 0.2231 7.5272 7.5272 7.5573 7.5573 13.1205 13.1205 14.0248 14.0248 14.0431 14.0431 19.4694 19.4694 k = 0.5000 0.2887 0.2041 ( 754 PWs) bands (ev): -2.8628 -2.8628 0.2231 0.2231 7.5272 7.5272 7.5573 7.5573 13.1205 13.1205 14.0248 14.0248 14.0431 14.0431 19.4694 19.4694 k = 0.5029 0.2803 0.2089 ( 754 PWs) bands (ev): -2.8617 -2.8616 0.2241 0.2242 7.5214 7.5219 7.5523 7.5523 13.1258 13.1259 14.0265 14.0265 14.0456 14.0456 19.4725 19.4732 k = 0.5058 0.2719 0.2136 ( 754 PWs) bands (ev): -2.8583 -2.8583 0.2272 0.2273 7.5017 7.5028 7.5401 7.5403 13.1414 13.1415 14.0286 14.0286 14.0564 14.0564 19.4823 19.4838 k = 0.5087 0.2635 0.2184 ( 754 PWs) bands (ev): -2.8528 -2.8527 0.2324 0.2326 7.4647 7.4663 7.5249 7.5252 13.1656 13.1657 14.0294 14.0295 14.0784 14.0784 19.4985 19.5008 k = 0.5116 0.2551 0.2231 ( 754 PWs) bands (ev): -2.8450 -2.8448 0.2396 0.2399 7.4109 7.4130 7.5070 7.5072 13.1960 13.1961 14.0318 14.0320 14.1106 14.1106 19.5204 19.5234 k = 0.5145 0.2467 0.2279 ( 753 PWs) bands (ev): -2.8349 -2.8348 0.2489 0.2493 7.3422 7.3446 7.4855 7.4857 13.2287 13.2288 14.0397 14.0402 14.1524 14.1524 19.5471 19.5508 k = 0.5174 0.2383 0.2326 ( 751 PWs) bands (ev): -2.8226 -2.8224 0.2602 0.2607 7.2600 7.2628 7.4602 7.4604 13.2590 13.2593 14.0575 14.0584 14.2034 14.2035 19.5774 19.5818 k = 0.5203 0.2299 0.2374 ( 749 PWs) bands (ev): -2.8082 -2.8080 0.2736 0.2742 7.1658 7.1689 7.4311 7.4312 13.2815 13.2822 14.0898 14.0911 14.2629 14.2630 19.6098 19.6149 k = 0.5233 0.2215 0.2421 ( 749 PWs) bands (ev): -2.7915 -2.7913 0.2890 0.2897 7.0607 7.0642 7.3984 7.3985 13.2919 13.2931 14.1404 14.1422 14.3309 14.3309 19.6426 19.6484 k = 0.5262 0.2131 0.2468 ( 751 PWs) bands (ev): -2.7727 -2.7724 0.3064 0.3072 6.9459 6.9497 7.3623 7.3624 13.2881 13.2897 14.2111 14.2134 14.4068 14.4069 19.6738 19.6803 k = 0.5291 0.2048 0.2516 ( 749 PWs) bands (ev): -2.7517 -2.7513 0.3258 0.3267 6.8227 6.8268 7.3232 7.3233 13.2701 13.2721 14.3014 14.3041 14.4907 14.4908 19.7014 19.7085 k = 0.5320 0.1964 0.2563 ( 750 PWs) bands (ev): -2.7285 -2.7281 0.3471 0.3481 6.6921 6.6965 7.2812 7.2813 13.2396 13.2419 14.4090 14.4121 14.5820 14.5821 19.7228 19.7305 k = 0.5349 0.1880 0.2611 ( 752 PWs) bands (ev): -2.7032 -2.7028 0.3703 0.3714 6.5551 6.5598 7.2367 7.2368 13.1990 13.2015 14.5311 14.5345 14.6803 14.6805 19.7354 19.7437 k = 0.5378 0.1796 0.2658 ( 752 PWs) bands (ev): -2.6757 -2.6753 0.3954 0.3967 6.4127 6.4177 7.1900 7.1901 13.1504 13.1531 14.6655 14.6691 14.7855 14.7857 19.7364 19.7452 k = 0.5407 0.1712 0.2706 ( 749 PWs) bands (ev): -2.6462 -2.6458 0.4224 0.4237 6.2657 6.2710 7.1413 7.1414 13.0958 13.0986 14.8098 14.8138 14.8972 14.8975 19.7231 19.7324 k = 0.5436 0.1628 0.2753 ( 749 PWs) bands (ev): -2.6146 -2.6141 0.4511 0.4526 6.1149 6.1204 7.0910 7.0911 13.0365 13.0394 14.9620 14.9663 15.0151 15.0157 19.6930 19.7027 k = 0.5465 0.1544 0.2801 ( 749 PWs) bands (ev): -2.5809 -2.5805 0.4816 0.4832 5.9610 5.9668 7.0393 7.0394 12.9738 12.9767 15.1188 15.1237 15.1407 15.1418 19.6444 19.6544 k = 0.5494 0.1460 0.2848 ( 747 PWs) bands (ev): -2.5453 -2.5448 0.5137 0.5155 5.8046 5.8107 6.9865 6.9866 12.9085 12.9114 15.2630 15.2646 15.2918 15.2940 19.5763 19.5865 k = 0.5523 0.1376 0.2896 ( 747 PWs) bands (ev): -2.5077 -2.5071 0.5473 0.5494 5.6464 5.6528 6.9328 6.9329 12.8414 12.8444 15.3985 15.3992 15.4601 15.4634 19.4890 19.4994 k = 0.5552 0.1292 0.2943 ( 749 PWs) bands (ev): -2.4681 -2.4676 0.5825 0.5848 5.4870 5.4937 6.8785 6.8785 12.7730 12.7761 15.5373 15.5377 15.6338 15.6373 19.3839 19.3945 k = 0.5581 0.1208 0.2991 ( 751 PWs) bands (ev): -2.4267 -2.4261 0.6191 0.6215 5.3268 5.3338 6.8237 6.8238 12.7041 12.7071 15.6803 15.6806 15.8108 15.8145 19.2633 19.2739 k = 0.5610 0.1124 0.3038 ( 751 PWs) bands (ev): -2.3834 -2.3829 0.6569 0.6596 5.1665 5.1738 6.7687 6.7688 12.6349 12.6379 15.8273 15.8275 15.9907 15.9944 19.1297 19.1405 k = 0.5640 0.1041 0.3086 ( 747 PWs) bands (ev): -2.3384 -2.3378 0.6958 0.6989 5.0065 5.0142 6.7137 6.7138 12.5659 12.5689 15.9780 15.9782 16.1726 16.1762 18.9860 18.9969 k = 0.5669 0.0957 0.3133 ( 749 PWs) bands (ev): -2.2917 -2.2911 0.7357 0.7391 4.8474 4.8554 6.6589 6.6590 12.4972 12.5002 16.1320 16.1322 16.3554 16.3589 18.8347 18.8459 k = 0.5698 0.0873 0.3181 ( 745 PWs) bands (ev): -2.2434 -2.2428 0.7764 0.7801 4.6896 4.6981 6.6044 6.6044 12.4294 12.4323 16.2890 16.2892 16.5384 16.5416 18.6790 18.6905 k = 0.5727 0.0789 0.3228 ( 745 PWs) bands (ev): -2.1936 -2.1930 0.8176 0.8217 4.5337 4.5426 6.5503 6.5504 12.3624 12.3653 16.4486 16.4488 16.7197 16.7226 18.5214 18.5335 k = 0.5756 0.0705 0.3275 ( 743 PWs) bands (ev): -2.1424 -2.1418 0.8590 0.8635 4.3804 4.3897 6.4970 6.4970 12.2965 12.2994 16.6106 16.6108 16.8968 16.8989 18.3659 18.3789 k = 0.5785 0.0621 0.3323 ( 739 PWs) bands (ev): -2.0899 -2.0893 0.9003 0.9053 4.2301 4.2400 6.4443 6.4444 12.2319 12.2348 16.7745 16.7747 17.0641 17.0651 18.2188 18.2332 k = 0.5814 0.0537 0.3370 ( 743 PWs) bands (ev): -2.0363 -2.0357 0.9412 0.9467 4.0836 4.0941 6.3926 6.3926 12.1687 12.1716 16.9394 16.9395 17.2082 17.2090 18.0930 18.1095 k = 0.5843 0.0453 0.3418 ( 743 PWs) bands (ev): -1.9818 -1.9811 0.9811 0.9872 3.9417 3.9528 6.3418 6.3418 12.1072 12.1100 17.1053 17.1054 17.3010 17.3038 18.0172 18.0360 k = 0.5872 0.0369 0.3465 ( 743 PWs) bands (ev): -1.9264 -1.9258 1.0195 1.0263 3.8053 3.8170 6.2921 6.2922 12.0474 12.0501 17.2707 17.2713 17.3076 17.3098 18.0304 18.0497 k = 0.5901 0.0285 0.3513 ( 741 PWs) bands (ev): -1.8705 -1.8699 1.0557 1.0632 3.6753 3.6877 6.2437 6.2437 11.9894 11.9921 17.2270 17.2282 17.4377 17.4380 18.1307 18.1486 k = 0.5930 0.0201 0.3560 ( 743 PWs) bands (ev): -1.8144 -1.8138 1.0890 1.0973 3.5528 3.5660 6.1965 6.1965 11.9332 11.9359 17.0992 17.0999 17.6024 17.6026 18.2788 18.2954 k = 0.5959 0.0117 0.3608 ( 739 PWs) bands (ev): -1.7583 -1.7578 1.1186 1.1276 3.4391 3.4532 6.1507 6.1507 11.8791 11.8817 16.9491 16.9511 17.7659 17.7661 18.4481 18.4641 k = 0.5988 0.0034 0.3655 ( 739 PWs) bands (ev): -1.7026 -1.7021 1.1435 1.1534 3.3356 3.3505 6.1063 6.1064 11.8271 11.8296 16.7896 16.7925 17.9264 17.9267 18.6264 18.6423 k = 0.6017-0.0050 0.3703 ( 737 PWs) bands (ev): -1.6478 -1.6474 1.1627 1.1735 3.2438 3.2595 6.0635 6.0636 11.7770 11.7795 16.6259 16.6293 18.0836 18.0838 18.8079 18.8242 k = 0.6047-0.0134 0.3750 ( 737 PWs) bands (ev): -1.5944 -1.5940 1.1756 1.1871 3.1650 3.1815 6.0222 6.0223 11.7292 11.7317 16.4603 16.4643 18.2360 18.2363 18.9894 19.0063 k = 0.6076-0.0218 0.3798 ( 736 PWs) bands (ev): -1.5430 -1.5427 1.1814 1.1937 3.1006 3.1177 5.9826 5.9827 11.6837 11.6861 16.2946 16.2988 18.3827 18.3829 19.1679 19.1858 k = 0.6105-0.0302 0.3845 ( 737 PWs) bands (ev): -1.4943 -1.4940 1.1801 1.1930 3.0514 3.0691 5.9447 5.9448 11.6404 11.6427 16.1292 16.1338 18.5225 18.5227 19.3406 19.3599 k = 0.6134-0.0386 0.3893 ( 738 PWs) bands (ev): -1.4492 -1.4490 1.1721 1.1853 3.0180 3.0361 5.9086 5.9086 11.5994 11.6016 15.9651 15.9698 18.6541 18.6543 19.5036 19.5248 k = 0.6163-0.0470 0.3940 ( 740 PWs) bands (ev): -1.4086 -1.4084 1.1583 1.1718 3.0003 3.0186 5.8742 5.8742 11.5606 11.5628 15.8025 15.8074 18.7763 18.7765 19.6522 19.6753 k = 0.6192-0.0554 0.3988 ( 740 PWs) bands (ev): -1.3735 -1.3733 1.1405 1.1540 2.9977 3.0160 5.8417 5.8417 11.5243 11.5264 15.6418 15.6469 18.8882 18.8885 19.7804 19.8055 k = 0.6221-0.0638 0.4035 ( 740 PWs) bands (ev): -1.3451 -1.3450 1.1209 1.1343 3.0091 3.0273 5.8110 5.8111 11.4902 11.4923 15.4834 15.4885 18.9890 18.9892 19.8821 19.9085 k = 0.6250-0.0722 0.4082 ( 740 PWs) bands (ev): -1.3245 -1.3245 1.1019 1.1151 3.0332 3.0511 5.7823 5.7824 11.4585 11.4605 15.3273 15.3325 19.0779 19.0782 19.9536 19.9802 k = 0.6250-0.0722 0.4082 ( 740 PWs) bands (ev): -1.3245 -1.3245 1.1019 1.1151 3.0332 3.0511 5.7823 5.7824 11.4585 11.4605 15.3273 15.3325 19.0779 19.0782 19.9536 19.9802 k = 0.6200-0.0693 0.4164 ( 740 PWs) bands (ev): -1.3238 -1.3237 1.1024 1.1155 3.0343 3.0522 5.7740 5.7750 11.4692 11.4714 15.3280 15.3332 19.0598 19.0644 19.9542 19.9807 k = 0.6150-0.0664 0.4246 ( 742 PWs) bands (ev): -1.3214 -1.3214 1.1037 1.1169 3.0375 3.0554 5.7503 5.7523 11.5012 11.5036 15.3301 15.3353 19.0121 19.0208 19.9512 19.9774 k = 0.6100-0.0635 0.4327 ( 738 PWs) bands (ev): -1.3175 -1.3175 1.1060 1.1192 3.0428 3.0607 5.7119 5.7148 11.5541 11.5570 15.3337 15.3388 18.9409 18.9527 19.9332 19.9581 k = 0.6050-0.0606 0.4409 ( 738 PWs) bands (ev): -1.3121 -1.3120 1.1091 1.1224 3.0502 3.0682 5.6596 5.6634 11.6266 11.6299 15.3386 15.3436 18.8522 18.8663 19.8873 19.9099 k = 0.6000-0.0577 0.4491 ( 738 PWs) bands (ev): -1.3052 -1.3051 1.1131 1.1264 3.0598 3.0778 5.5946 5.5994 11.7176 11.7214 15.3449 15.3499 18.7509 18.7667 19.8070 19.8267 k = 0.5950-0.0548 0.4572 ( 740 PWs) bands (ev): -1.2968 -1.2968 1.1178 1.1312 3.0714 3.0895 5.5185 5.5241 11.8258 11.8301 15.3525 15.3574 18.6410 18.6579 19.6947 19.7114 k = 0.5900-0.0520 0.4654 ( 740 PWs) bands (ev): -1.2870 -1.2870 1.1233 1.1367 3.0852 3.1033 5.4327 5.4390 11.9499 11.9545 15.3615 15.3662 18.5251 18.5430 19.5573 19.5717 k = 0.5850-0.0491 0.4736 ( 741 PWs) bands (ev): -1.2759 -1.2759 1.1293 1.1428 3.1010 3.1191 5.3386 5.3457 12.0882 12.0932 15.3717 15.3763 18.4053 18.4239 19.4025 19.4151 k = 0.5800-0.0462 0.4817 ( 740 PWs) bands (ev): -1.2636 -1.2635 1.1359 1.1495 3.1189 3.1371 5.2380 5.2457 12.2393 12.2445 15.3834 15.3878 18.2831 18.3022 19.2360 19.2472 k = 0.5750-0.0433 0.4899 ( 740 PWs) bands (ev): -1.2501 -1.2500 1.1429 1.1566 3.1389 3.1571 5.1321 5.1405 12.4015 12.4070 15.3963 15.4005 18.1596 18.1791 19.0616 19.0719 k = 0.5700-0.0404 0.4981 ( 740 PWs) bands (ev): -1.2355 -1.2354 1.1503 1.1641 3.1609 3.1792 5.0224 5.0314 12.5734 12.5790 15.4106 15.4146 18.0357 18.0556 18.8823 18.8919 k = 0.5650-0.0375 0.5062 ( 740 PWs) bands (ev): -1.2200 -1.2199 1.1578 1.1718 3.1848 3.2033 4.9103 4.9199 12.7537 12.7594 15.4263 15.4300 17.9122 17.9325 18.6999 18.7088 k = 0.5600-0.0346 0.5144 ( 740 PWs) bands (ev): -1.2037 -1.2036 1.1653 1.1794 3.2107 3.2293 4.7970 4.8071 12.9405 12.9463 15.4435 15.4469 17.7902 17.8108 18.5158 18.5242 k = 0.5550-0.0318 0.5226 ( 742 PWs) bands (ev): -1.1868 -1.1867 1.1727 1.1870 3.2386 3.2573 4.6836 4.6943 13.1324 13.1382 15.4625 15.4654 17.6701 17.6910 18.3308 18.3389 k = 0.5500-0.0289 0.5307 ( 742 PWs) bands (ev): -1.1695 -1.1694 1.1799 1.1943 3.2683 3.2872 4.5714 4.5825 13.3278 13.3334 15.4837 15.4861 17.5530 17.5742 18.1460 18.1538 k = 0.5450-0.0260 0.5389 ( 742 PWs) bands (ev): -1.1520 -1.1519 1.1865 1.2011 3.2997 3.3188 4.4614 4.4730 13.5244 13.5299 15.5078 15.5097 17.4396 17.4612 17.9618 17.9694 k = 0.5400-0.0231 0.5471 ( 739 PWs) bands (ev): -1.1346 -1.1345 1.1925 1.2073 3.3329 3.3522 4.3547 4.3666 13.7197 13.7248 15.5360 15.5372 17.3309 17.3527 17.7792 17.7866 k = 0.5350-0.0202 0.5552 ( 739 PWs) bands (ev): -1.1176 -1.1174 1.1977 1.2128 3.3676 3.3872 4.2524 4.2646 13.9102 13.9148 15.5699 15.5705 17.2277 17.2499 17.5983 17.6055 k = 0.5300-0.0173 0.5634 ( 735 PWs) bands (ev): -1.1014 -1.1011 1.2021 1.2173 3.4036 3.4236 4.1556 4.1679 14.0915 14.0955 15.6119 15.6129 17.1313 17.1537 17.4200 17.4271 k = 0.5250-0.0144 0.5715 ( 742 PWs) bands (ev): -1.0862 -1.0859 1.2054 1.2208 3.4406 3.4611 4.0654 4.0777 14.2574 14.2605 15.6658 15.6678 17.0422 17.0648 17.2450 17.2523 k = 0.5200-0.0115 0.5797 ( 742 PWs) bands (ev): -1.0726 -1.0723 1.2077 1.2232 3.4779 3.4991 3.9833 3.9954 14.4009 14.4031 15.7364 15.7395 16.9618 16.9841 17.0756 17.0839 k = 0.5150-0.0087 0.5879 ( 744 PWs) bands (ev): -1.0610 -1.0607 1.2090 1.2247 3.5143 3.5364 3.9113 3.9225 14.5150 14.5163 15.8265 15.8306 16.8846 16.8984 16.9207 16.9381 k = 0.5100-0.0058 0.5960 ( 744 PWs) bands (ev): -1.0520 -1.0517 1.2095 1.2254 3.5475 3.5708 3.8525 3.8619 14.5953 14.5958 15.9330 15.9374 16.7587 16.7614 16.8425 16.8676 k = 0.5050-0.0029 0.6042 ( 744 PWs) bands (ev): -1.0462 -1.0458 1.2095 1.2255 3.5725 3.5970 3.8130 3.8187 14.6410 14.6411 16.0372 16.0405 16.6413 16.6434 16.7992 16.8251 k = 0.5000 0.0000 0.6124 ( 744 PWs) bands (ev): -1.0441 -1.0437 1.2094 1.2254 3.5819 3.6070 3.8008 3.8008 14.6552 14.6552 16.0880 16.0885 16.5924 16.5945 16.7805 16.8069 k = 0.5000 0.0000 0.6124 ( 744 PWs) bands (ev): -1.0441 -1.0437 1.2094 1.2254 3.5819 3.6070 3.8008 3.8008 14.6552 14.6552 16.0880 16.0885 16.5924 16.5945 16.7805 16.8069 k = 0.5000 0.0058 0.6042 ( 744 PWs) bands (ev): -1.0478 -1.0475 1.2113 1.2272 3.5627 3.5869 3.8221 3.8295 14.6488 14.6489 16.0793 16.0843 16.5849 16.5855 16.8069 16.8318 k = 0.5000 0.0115 0.5960 ( 744 PWs) bands (ev): -1.0590 -1.0587 1.2167 1.2326 3.5212 3.5442 3.8786 3.8897 14.6301 14.6303 16.0562 16.0657 16.5749 16.5769 16.8701 16.8931 k = 0.5000 0.0173 0.5879 ( 742 PWs) bands (ev): -1.0773 -1.0770 1.2252 1.2410 3.4754 3.4976 3.9511 3.9639 14.6003 14.6006 16.0177 16.0307 16.5825 16.5856 16.9516 16.9735 k = 0.5000 0.0231 0.5797 ( 742 PWs) bands (ev): -1.1023 -1.1021 1.2358 1.2515 3.4328 3.4545 4.0322 4.0458 14.5610 14.5613 15.9649 15.9801 16.6135 16.6170 17.0430 17.0645 k = 0.5000 0.0289 0.5715 ( 738 PWs) bands (ev): -1.1334 -1.1332 1.2476 1.2632 3.3967 3.4181 4.1188 4.1328 14.5143 14.5145 15.9012 15.9177 16.6663 16.6695 17.1410 17.1623 k = 0.5000 0.0346 0.5634 ( 734 PWs) bands (ev): -1.1700 -1.1699 1.2593 1.2747 3.3690 3.3902 4.2094 4.2237 14.4616 14.4617 15.8306 15.8478 16.7366 16.7393 17.2436 17.2650 k = 0.5000 0.0404 0.5552 ( 736 PWs) bands (ev): -1.2114 -1.2114 1.2696 1.2847 3.3510 3.3720 4.3034 4.3178 14.4044 14.4046 15.7557 15.7732 16.8206 16.8226 17.3496 17.3712 k = 0.5000 0.0462 0.5471 ( 736 PWs) bands (ev): -1.2570 -1.2569 1.2772 1.2920 3.3438 3.3646 4.4000 4.4144 14.3445 14.3447 15.6786 15.6962 16.9155 16.9169 17.4586 17.4804 k = 0.5000 0.0520 0.5389 ( 738 PWs) bands (ev): -1.3060 -1.3059 1.2812 1.2954 3.3482 3.3686 4.4989 4.5134 14.2828 14.2831 15.6005 15.6182 17.0188 17.0199 17.5701 17.5922 k = 0.5000 0.0577 0.5307 ( 738 PWs) bands (ev): -1.3579 -1.3577 1.2806 1.2943 3.3647 3.3847 4.5997 4.6142 14.2203 14.2208 15.5224 15.5401 17.1290 17.1301 17.6840 17.7063 k = 0.5000 0.0635 0.5226 ( 740 PWs) bands (ev): -1.4121 -1.4118 1.2749 1.2879 3.3934 3.4130 4.7022 4.7166 14.1578 14.1586 15.4448 15.4624 17.2447 17.2460 17.7997 17.8225 k = 0.5000 0.0693 0.5144 ( 738 PWs) bands (ev): -1.4680 -1.4677 1.2638 1.2760 3.4343 3.4533 4.8059 4.8203 14.0962 14.0971 15.3680 15.3857 17.3650 17.3667 17.9175 17.9406 k = 0.5000 0.0751 0.5062 ( 738 PWs) bands (ev): -1.5252 -1.5248 1.2474 1.2588 3.4870 3.5053 4.9107 4.9251 14.0356 14.0367 15.2925 15.3100 17.4886 17.4908 18.0370 18.0605 k = 0.5000 0.0808 0.4981 ( 738 PWs) bands (ev): -1.5833 -1.5828 1.2259 1.2366 3.5506 3.5683 5.0164 5.0306 13.9768 13.9780 15.2183 15.2358 17.6147 17.6172 18.1580 18.1820 k = 0.5000 0.0866 0.4899 ( 738 PWs) bands (ev): -1.6419 -1.6414 1.1999 1.2098 3.6246 3.6417 5.1226 5.1368 13.9199 13.9213 15.1456 15.1631 17.7422 17.7450 18.2803 18.3049 k = 0.5000 0.0924 0.4817 ( 738 PWs) bands (ev): -1.7006 -1.7001 1.1699 1.1790 3.7081 3.7245 5.2291 5.2433 13.8653 13.8669 15.0746 15.0920 17.8695 17.8726 18.4036 18.4290 k = 0.5000 0.0981 0.4736 ( 738 PWs) bands (ev): -1.7593 -1.7587 1.1365 1.1448 3.8001 3.8158 5.3358 5.3499 13.8133 13.8150 15.0053 15.0227 17.9947 17.9978 18.5269 18.5532 k = 0.5000 0.1039 0.4654 ( 736 PWs) bands (ev): -1.8176 -1.8170 1.1004 1.1079 3.8998 3.9150 5.4424 5.4564 13.7641 13.7660 14.9378 14.9552 18.1144 18.1174 18.6478 18.6757 k = 0.5000 0.1097 0.4572 ( 736 PWs) bands (ev): -1.8754 -1.8748 1.0620 1.0689 4.0065 4.0210 5.5487 5.5626 13.7178 13.7198 14.8722 14.8896 18.2219 18.2242 18.7589 18.7892 k = 0.5000 0.1155 0.4491 ( 742 PWs) bands (ev): -1.9324 -1.9318 1.0221 1.0283 4.1192 4.1333 5.6544 5.6682 13.6743 13.6765 14.8084 14.8257 18.3008 18.3030 18.8368 18.8684 k = 0.5000 0.1212 0.4409 ( 740 PWs) bands (ev): -1.9885 -1.9878 0.9809 0.9866 4.2374 4.2510 5.7593 5.7730 13.6344 13.6367 14.7467 14.7641 18.3132 18.3205 18.8566 18.8789 k = 0.5000 0.1270 0.4327 ( 742 PWs) bands (ev): -2.0435 -2.0429 0.9391 0.9443 4.3605 4.3736 5.8632 5.8768 13.5977 13.6001 14.6869 14.7044 18.2253 18.2387 18.8821 18.8937 k = 0.5000 0.1328 0.4246 ( 742 PWs) bands (ev): -2.0973 -2.0967 0.8969 0.9016 4.4878 4.5005 5.9659 5.9793 13.5644 13.5668 14.6292 14.6467 18.0609 18.0773 18.9493 18.9569 k = 0.5000 0.1386 0.4164 ( 742 PWs) bands (ev): -2.1498 -2.1492 0.8547 0.8589 4.6189 4.6312 6.0671 6.0803 13.5345 13.5371 14.5737 14.5912 17.8605 17.8778 19.0381 19.0451 k = 0.5000 0.1443 0.4082 ( 740 PWs) bands (ev): -2.2009 -2.2003 0.8127 0.8166 4.7532 4.7652 6.1665 6.1796 13.5082 13.5108 14.5203 14.5380 17.6447 17.6622 19.1338 19.1410 k = 0.5000 0.1501 0.4001 ( 746 PWs) bands (ev): -2.2505 -2.2499 0.7712 0.7748 4.8903 4.9020 6.2640 6.2769 13.4852 13.4878 14.4690 14.4868 17.4219 17.4394 19.2293 19.2369 k = 0.5000 0.1559 0.3919 ( 748 PWs) bands (ev): -2.2985 -2.2979 0.7305 0.7337 5.0298 5.0412 6.3593 6.3720 13.4655 13.4682 14.4200 14.4379 17.1967 17.2141 19.3211 19.3292 k = 0.5000 0.1617 0.3838 ( 748 PWs) bands (ev): -2.3448 -2.3442 0.6907 0.6936 5.1712 5.1823 6.4522 6.4646 13.4491 13.4518 14.3733 14.3913 16.9713 16.9886 19.4073 19.4158 k = 0.5000 0.1674 0.3756 ( 748 PWs) bands (ev): -2.3894 -2.3888 0.6519 0.6546 5.3142 5.3249 6.5425 6.5546 13.4359 13.4386 14.3289 14.3471 16.7472 16.7644 19.4862 19.4952 k = 0.5000 0.1732 0.3674 ( 746 PWs) bands (ev): -2.4322 -2.4317 0.6143 0.6168 5.4582 5.4687 6.6299 6.6417 13.4255 13.4283 14.2870 14.3054 16.5254 16.5425 19.5568 19.5660 k = 0.5000 0.1790 0.3593 ( 746 PWs) bands (ev): -2.4732 -2.4727 0.5781 0.5803 5.6028 5.6131 6.7142 6.7257 13.4177 13.4206 14.2475 14.2661 16.3070 16.3239 19.6179 19.6274 k = 0.5000 0.1848 0.3511 ( 748 PWs) bands (ev): -2.5123 -2.5118 0.5432 0.5452 5.7476 5.7576 6.7953 6.8064 13.4121 13.4150 14.2106 14.2294 16.0926 16.1095 19.6689 19.6785 k = 0.5000 0.1905 0.3429 ( 748 PWs) bands (ev): -2.5495 -2.5490 0.5099 0.5117 5.8922 5.9018 6.8728 6.8836 13.4084 13.4113 14.1765 14.1954 15.8833 15.9000 19.7091 19.7186 k = 0.5000 0.1963 0.3348 ( 748 PWs) bands (ev): -2.5847 -2.5842 0.4782 0.4798 6.0359 6.0452 6.9467 6.9570 13.4058 13.4088 14.1452 14.1643 15.6798 15.6964 19.7381 19.7476 k = 0.5000 0.2021 0.3266 ( 750 PWs) bands (ev): -2.6179 -2.6175 0.4481 0.4496 6.1781 6.1872 7.0168 7.0267 13.4037 13.4068 14.1169 14.1360 15.4831 15.4996 19.7561 19.7653 k = 0.5000 0.2078 0.3184 ( 748 PWs) bands (ev): -2.6491 -2.6487 0.4197 0.4211 6.3183 6.3271 7.0829 7.0923 13.4015 13.4046 14.0919 14.1111 15.2943 15.3106 19.7633 19.7723 k = 0.5000 0.2136 0.3103 ( 748 PWs) bands (ev): -2.6783 -2.6779 0.3931 0.3943 6.4558 6.4642 7.1450 7.1538 13.3981 13.4011 14.0702 14.0892 15.1145 15.1306 19.7605 19.7690 k = 0.5000 0.2194 0.3021 ( 746 PWs) bands (ev): -2.7053 -2.7050 0.3683 0.3694 6.5897 6.5978 7.2028 7.2111 13.3925 13.3954 14.0521 14.0708 14.9451 14.9610 19.7487 19.7568 k = 0.5000 0.2252 0.2939 ( 746 PWs) bands (ev): -2.7303 -2.7300 0.3454 0.3464 6.7193 6.7269 7.2562 7.2640 13.3836 13.3862 14.0376 14.0557 14.7874 14.8030 19.7293 19.7369 k = 0.5000 0.2309 0.2858 ( 746 PWs) bands (ev): -2.7532 -2.7529 0.3244 0.3252 6.8435 6.8507 7.3053 7.3124 13.3703 13.3725 14.0268 14.0441 14.6430 14.6582 19.7038 19.7108 k = 0.5000 0.2367 0.2776 ( 746 PWs) bands (ev): -2.7739 -2.7736 0.3053 0.3060 6.9613 6.9680 7.3500 7.3564 13.3519 13.3537 14.0196 14.0359 14.5134 14.5280 19.6741 19.6805 k = 0.5000 0.2425 0.2694 ( 752 PWs) bands (ev): -2.7925 -2.7923 0.2881 0.2888 7.0716 7.0778 7.3901 7.3959 13.3279 13.3291 14.0155 14.0305 14.3999 14.4136 19.6417 19.6475 k = 0.5000 0.2483 0.2613 ( 750 PWs) bands (ev): -2.8089 -2.8087 0.2729 0.2735 7.1732 7.1788 7.4257 7.4308 13.2987 13.2994 14.0145 14.0279 14.3032 14.3158 19.6086 19.6136 k = 0.5000 0.2540 0.2531 ( 754 PWs) bands (ev): -2.8232 -2.8230 0.2597 0.2602 7.2648 7.2697 7.4567 7.4612 13.2654 13.2658 14.0155 14.0272 14.2234 14.2347 19.5762 19.5806 k = 0.5000 0.2598 0.2449 ( 754 PWs) bands (ev): -2.8353 -2.8351 0.2485 0.2489 7.3450 7.3492 7.4834 7.4870 13.2303 13.2303 14.0182 14.0280 14.1600 14.1696 19.5462 19.5498 k = 0.5000 0.2656 0.2368 ( 754 PWs) bands (ev): -2.8452 -2.8451 0.2394 0.2397 7.4124 7.4158 7.5057 7.5086 13.1958 13.1959 14.0216 14.0294 14.1113 14.1191 19.5198 19.5227 k = 0.5000 0.2714 0.2286 ( 754 PWs) bands (ev): -2.8529 -2.8528 0.2322 0.2325 7.4653 7.4678 7.5242 7.5262 13.1651 13.1653 14.0248 14.0305 14.0766 14.0822 19.4981 19.5003 k = 0.5000 0.2771 0.2205 ( 754 PWs) bands (ev): -2.8584 -2.8583 0.2271 0.2273 7.5020 7.5034 7.5399 7.5408 13.1411 13.1412 14.0268 14.0299 14.0548 14.0579 19.4821 19.4836 k = 0.5000 0.2829 0.2123 ( 754 PWs) bands (ev): -2.8617 -2.8616 0.2241 0.2242 7.5215 7.5220 7.5523 7.5525 13.1258 13.1259 14.0262 14.0268 14.0452 14.0458 19.4724 19.4732 k = 0.5000 0.2887 0.2041 ( 754 PWs) bands (ev): -2.8628 -2.8628 0.2231 0.2231 7.5272 7.5272 7.5573 7.5573 13.1205 13.1205 14.0248 14.0248 14.0431 14.0431 19.4694 19.4694 k = 0.5000 0.2887 0.2041 ( 754 PWs) bands (ev): -2.8628 -2.8628 0.2231 0.2231 7.5272 7.5272 7.5573 7.5573 13.1205 13.1205 14.0248 14.0248 14.0431 14.0431 19.4694 19.4694 k = 0.4971 0.2870 0.2136 ( 754 PWs) bands (ev): -2.8617 -2.8616 0.2241 0.2242 7.5214 7.5219 7.5523 7.5523 13.1258 13.1259 14.0265 14.0265 14.0456 14.0456 19.4725 19.4732 k = 0.4942 0.2853 0.2231 ( 754 PWs) bands (ev): -2.8583 -2.8583 0.2272 0.2273 7.5017 7.5028 7.5401 7.5403 13.1414 13.1415 14.0286 14.0286 14.0564 14.0564 19.4823 19.4838 k = 0.4913 0.2836 0.2326 ( 754 PWs) bands (ev): -2.8528 -2.8527 0.2324 0.2326 7.4647 7.4663 7.5249 7.5252 13.1656 13.1657 14.0294 14.0295 14.0784 14.0784 19.4985 19.5008 k = 0.4884 0.2820 0.2421 ( 754 PWs) bands (ev): -2.8450 -2.8448 0.2396 0.2399 7.4109 7.4130 7.5070 7.5072 13.1960 13.1961 14.0318 14.0320 14.1106 14.1106 19.5204 19.5234 k = 0.4855 0.2803 0.2516 ( 753 PWs) bands (ev): -2.8349 -2.8348 0.2489 0.2493 7.3422 7.3446 7.4855 7.4857 13.2287 13.2288 14.0397 14.0402 14.1524 14.1524 19.5471 19.5508 k = 0.4826 0.2786 0.2611 ( 751 PWs) bands (ev): -2.8226 -2.8224 0.2602 0.2607 7.2600 7.2628 7.4602 7.4604 13.2590 13.2593 14.0575 14.0584 14.2034 14.2035 19.5774 19.5818 k = 0.4797 0.2769 0.2706 ( 749 PWs) bands (ev): -2.8082 -2.8080 0.2736 0.2742 7.1658 7.1689 7.4311 7.4312 13.2815 13.2822 14.0898 14.0911 14.2629 14.2630 19.6098 19.6149 k = 0.4767 0.2752 0.2801 ( 749 PWs) bands (ev): -2.7915 -2.7913 0.2890 0.2897 7.0607 7.0642 7.3984 7.3985 13.2919 13.2931 14.1404 14.1422 14.3309 14.3309 19.6426 19.6484 k = 0.4738 0.2736 0.2896 ( 751 PWs) bands (ev): -2.7727 -2.7724 0.3064 0.3072 6.9459 6.9497 7.3623 7.3624 13.2881 13.2897 14.2111 14.2134 14.4068 14.4069 19.6738 19.6803 k = 0.4709 0.2719 0.2991 ( 749 PWs) bands (ev): -2.7517 -2.7513 0.3258 0.3267 6.8227 6.8268 7.3232 7.3233 13.2701 13.2721 14.3014 14.3041 14.4907 14.4908 19.7014 19.7085 k = 0.4680 0.2702 0.3086 ( 750 PWs) bands (ev): -2.7285 -2.7281 0.3471 0.3481 6.6921 6.6965 7.2812 7.2813 13.2396 13.2419 14.4090 14.4121 14.5820 14.5821 19.7228 19.7305 k = 0.4651 0.2685 0.3181 ( 752 PWs) bands (ev): -2.7032 -2.7028 0.3703 0.3714 6.5551 6.5598 7.2367 7.2368 13.1990 13.2015 14.5311 14.5345 14.6803 14.6805 19.7354 19.7437 k = 0.4622 0.2669 0.3275 ( 752 PWs) bands (ev): -2.6757 -2.6753 0.3954 0.3967 6.4127 6.4177 7.1900 7.1901 13.1504 13.1531 14.6655 14.6691 14.7855 14.7857 19.7364 19.7452 k = 0.4593 0.2652 0.3370 ( 749 PWs) bands (ev): -2.6462 -2.6458 0.4224 0.4237 6.2657 6.2710 7.1413 7.1414 13.0958 13.0986 14.8098 14.8138 14.8972 14.8975 19.7231 19.7324 k = 0.4564 0.2635 0.3465 ( 749 PWs) bands (ev): -2.6146 -2.6141 0.4511 0.4526 6.1149 6.1204 7.0910 7.0911 13.0365 13.0394 14.9620 14.9663 15.0151 15.0157 19.6930 19.7027 k = 0.4535 0.2618 0.3560 ( 749 PWs) bands (ev): -2.5809 -2.5805 0.4816 0.4832 5.9610 5.9668 7.0393 7.0394 12.9738 12.9767 15.1188 15.1237 15.1407 15.1418 19.6444 19.6544 k = 0.4506 0.2601 0.3655 ( 747 PWs) bands (ev): -2.5453 -2.5448 0.5137 0.5155 5.8046 5.8107 6.9865 6.9866 12.9085 12.9114 15.2630 15.2646 15.2918 15.2940 19.5763 19.5865 k = 0.4477 0.2585 0.3750 ( 747 PWs) bands (ev): -2.5077 -2.5071 0.5473 0.5494 5.6464 5.6528 6.9328 6.9329 12.8414 12.8444 15.3985 15.3992 15.4601 15.4634 19.4890 19.4994 k = 0.4448 0.2568 0.3845 ( 749 PWs) bands (ev): -2.4681 -2.4676 0.5825 0.5848 5.4870 5.4937 6.8785 6.8785 12.7730 12.7761 15.5373 15.5377 15.6338 15.6373 19.3839 19.3945 k = 0.4419 0.2551 0.3940 ( 751 PWs) bands (ev): -2.4267 -2.4261 0.6191 0.6215 5.3268 5.3338 6.8237 6.8238 12.7041 12.7071 15.6803 15.6806 15.8108 15.8145 19.2633 19.2739 k = 0.4390 0.2534 0.4035 ( 751 PWs) bands (ev): -2.3834 -2.3829 0.6569 0.6596 5.1665 5.1738 6.7687 6.7688 12.6349 12.6379 15.8273 15.8275 15.9907 15.9944 19.1297 19.1405 k = 0.4360 0.2518 0.4130 ( 747 PWs) bands (ev): -2.3384 -2.3378 0.6958 0.6989 5.0065 5.0142 6.7137 6.7138 12.5659 12.5689 15.9780 15.9782 16.1726 16.1762 18.9860 18.9969 k = 0.4331 0.2501 0.4225 ( 749 PWs) bands (ev): -2.2917 -2.2911 0.7357 0.7391 4.8474 4.8554 6.6589 6.6590 12.4972 12.5002 16.1320 16.1322 16.3554 16.3589 18.8347 18.8459 k = 0.4302 0.2484 0.4320 ( 745 PWs) bands (ev): -2.2434 -2.2428 0.7764 0.7801 4.6896 4.6981 6.6044 6.6044 12.4294 12.4323 16.2890 16.2892 16.5384 16.5416 18.6790 18.6905 k = 0.4273 0.2467 0.4415 ( 745 PWs) bands (ev): -2.1936 -2.1930 0.8176 0.8217 4.5337 4.5426 6.5503 6.5504 12.3624 12.3653 16.4486 16.4488 16.7197 16.7226 18.5214 18.5335 k = 0.4244 0.2450 0.4510 ( 743 PWs) bands (ev): -2.1424 -2.1418 0.8590 0.8635 4.3804 4.3897 6.4970 6.4970 12.2965 12.2994 16.6106 16.6108 16.8968 16.8989 18.3659 18.3789 k = 0.4215 0.2434 0.4605 ( 739 PWs) bands (ev): -2.0899 -2.0893 0.9003 0.9053 4.2301 4.2400 6.4443 6.4444 12.2319 12.2348 16.7745 16.7747 17.0641 17.0651 18.2188 18.2332 k = 0.4186 0.2417 0.4700 ( 743 PWs) bands (ev): -2.0363 -2.0357 0.9412 0.9467 4.0836 4.0941 6.3926 6.3926 12.1687 12.1716 16.9394 16.9395 17.2082 17.2090 18.0930 18.1095 k = 0.4157 0.2400 0.4795 ( 743 PWs) bands (ev): -1.9818 -1.9811 0.9811 0.9872 3.9417 3.9528 6.3418 6.3418 12.1072 12.1100 17.1053 17.1054 17.3010 17.3038 18.0172 18.0360 k = 0.4128 0.2383 0.4889 ( 743 PWs) bands (ev): -1.9264 -1.9258 1.0195 1.0263 3.8053 3.8170 6.2921 6.2922 12.0474 12.0501 17.2707 17.2713 17.3076 17.3098 18.0304 18.0497 k = 0.4099 0.2366 0.4984 ( 741 PWs) bands (ev): -1.8705 -1.8699 1.0557 1.0632 3.6753 3.6877 6.2437 6.2437 11.9894 11.9921 17.2270 17.2282 17.4377 17.4380 18.1307 18.1486 k = 0.4070 0.2350 0.5079 ( 743 PWs) bands (ev): -1.8144 -1.8138 1.0890 1.0973 3.5528 3.5660 6.1965 6.1965 11.9332 11.9359 17.0992 17.0999 17.6024 17.6026 18.2788 18.2954 k = 0.4041 0.2333 0.5174 ( 739 PWs) bands (ev): -1.7583 -1.7578 1.1186 1.1276 3.4391 3.4532 6.1507 6.1507 11.8791 11.8817 16.9491 16.9511 17.7659 17.7661 18.4481 18.4641 k = 0.4012 0.2316 0.5269 ( 739 PWs) bands (ev): -1.7026 -1.7021 1.1435 1.1534 3.3356 3.3505 6.1063 6.1064 11.8271 11.8296 16.7896 16.7925 17.9264 17.9267 18.6264 18.6423 k = 0.3983 0.2299 0.5364 ( 737 PWs) bands (ev): -1.6478 -1.6474 1.1627 1.1735 3.2438 3.2595 6.0635 6.0636 11.7770 11.7795 16.6259 16.6293 18.0836 18.0838 18.8079 18.8242 k = 0.3953 0.2283 0.5459 ( 737 PWs) bands (ev): -1.5944 -1.5940 1.1756 1.1871 3.1650 3.1815 6.0222 6.0223 11.7292 11.7317 16.4603 16.4643 18.2360 18.2363 18.9894 19.0063 k = 0.3924 0.2266 0.5554 ( 736 PWs) bands (ev): -1.5430 -1.5427 1.1814 1.1937 3.1006 3.1177 5.9826 5.9827 11.6837 11.6861 16.2946 16.2988 18.3827 18.3829 19.1679 19.1858 k = 0.3895 0.2249 0.5649 ( 737 PWs) bands (ev): -1.4943 -1.4940 1.1801 1.1930 3.0514 3.0691 5.9447 5.9448 11.6404 11.6427 16.1292 16.1338 18.5225 18.5227 19.3406 19.3599 k = 0.3866 0.2232 0.5744 ( 738 PWs) bands (ev): -1.4492 -1.4490 1.1721 1.1853 3.0180 3.0361 5.9086 5.9086 11.5994 11.6016 15.9651 15.9698 18.6541 18.6543 19.5036 19.5248 k = 0.3837 0.2215 0.5839 ( 740 PWs) bands (ev): -1.4086 -1.4084 1.1583 1.1718 3.0003 3.0186 5.8742 5.8742 11.5606 11.5628 15.8025 15.8074 18.7763 18.7765 19.6522 19.6753 k = 0.3808 0.2199 0.5934 ( 740 PWs) bands (ev): -1.3735 -1.3733 1.1405 1.1540 2.9977 3.0160 5.8417 5.8417 11.5243 11.5264 15.6418 15.6469 18.8882 18.8885 19.7804 19.8055 k = 0.3779 0.2182 0.6029 ( 740 PWs) bands (ev): -1.3451 -1.3450 1.1209 1.1343 3.0091 3.0273 5.8110 5.8111 11.4902 11.4923 15.4834 15.4885 18.9890 18.9892 19.8821 19.9085 k = 0.3750 0.2165 0.6124 ( 740 PWs) bands (ev): -1.3245 -1.3245 1.1019 1.1151 3.0332 3.0511 5.7823 5.7824 11.4585 11.4605 15.3273 15.3325 19.0779 19.0782 19.9536 19.9802 k = 0.6250-0.0722 0.4082 ( 740 PWs) bands (ev): -1.3245 -1.3245 1.1019 1.1151 3.0332 3.0511 5.7823 5.7824 11.4585 11.4605 15.3273 15.3325 19.0779 19.0782 19.9536 19.9802 k = 0.6200-0.0808 0.4082 ( 740 PWs) bands (ev): -1.2993 -1.2993 1.0720 1.0846 3.0892 3.1066 5.7354 5.7355 11.4069 11.4088 15.0622 15.0675 19.2203 19.2206 20.0495 20.0756 k = 0.6150-0.0895 0.4082 ( 742 PWs) bands (ev): -1.2792 -1.2792 1.0434 1.0554 3.1542 3.1710 5.6902 5.6902 11.3571 11.3589 14.7997 14.8051 19.3618 19.3621 20.1438 20.1694 k = 0.6100-0.0981 0.4082 ( 746 PWs) bands (ev): -1.2638 -1.2637 1.0159 1.0273 3.2277 3.2439 5.6467 5.6467 11.3091 11.3108 14.5403 14.5458 19.5021 19.5023 20.2364 20.2614 k = 0.6050-0.1068 0.4082 ( 746 PWs) bands (ev): -1.2526 -1.2524 0.9893 1.0001 3.3092 3.3247 5.6049 5.6050 11.2631 11.2646 14.2844 14.2899 19.6410 19.6413 20.3273 20.3516 k = 0.6000-0.1155 0.4082 ( 746 PWs) bands (ev): -1.2451 -1.2449 0.9637 0.9738 3.3980 3.4128 5.5649 5.5650 11.2190 11.2203 14.0323 14.0378 19.7782 19.7785 20.4163 20.4400 k = 0.5950-0.1241 0.4082 ( 746 PWs) bands (ev): -1.2408 -1.2406 0.9389 0.9484 3.4933 3.5075 5.5267 5.5268 11.1767 11.1780 13.7845 13.7900 19.9133 19.9136 20.5034 20.5263 k = 0.5900-0.1328 0.4082 ( 744 PWs) bands (ev): -1.2393 -1.2391 0.9150 0.9239 3.5943 3.6079 5.4903 5.4904 11.1364 11.1375 13.5415 13.5469 20.0460 20.0463 20.5884 20.6106 k = 0.5850-0.1415 0.4082 ( 744 PWs) bands (ev): -1.2402 -1.2400 0.8920 0.9002 3.7003 3.7132 5.4558 5.4559 11.0980 11.0990 13.3037 13.3090 20.1758 20.1762 20.6709 20.6923 k = 0.5800-0.1501 0.4082 ( 744 PWs) bands (ev): -1.2430 -1.2428 0.8700 0.8775 3.8103 3.8225 5.4232 5.4233 11.0615 11.0623 13.0717 13.0769 20.3024 20.3028 20.7508 20.7714 k = 0.5750-0.1588 0.4082 ( 740 PWs) bands (ev): -1.2472 -1.2470 0.8489 0.8558 3.9233 3.9349 5.3924 5.3925 11.0270 11.0276 12.8461 12.8512 20.4252 20.4257 20.8280 20.8476 k = 0.5700-0.1674 0.4082 ( 740 PWs) bands (ev): -1.2527 -1.2525 0.8288 0.8352 4.0383 4.0494 5.3635 5.3637 10.9941 10.9946 12.6277 12.6326 20.5439 20.5445 20.9022 20.9208 k = 0.5650-0.1761 0.4082 ( 746 PWs) bands (ev): -1.2590 -1.2588 0.8098 0.8156 4.1544 4.1648 5.3366 5.3367 10.9629 10.9632 12.4170 12.4217 20.6578 20.6584 20.9724 20.9901 k = 0.5600-0.1848 0.4082 ( 746 PWs) bands (ev): -1.2658 -1.2656 0.7919 0.7973 4.2705 4.2802 5.3116 5.3117 10.9334 10.9335 12.2153 12.2198 20.7666 20.7673 21.0398 21.0563 k = 0.5550-0.1934 0.4082 ( 744 PWs) bands (ev): -1.2729 -1.2728 0.7753 0.7801 4.3853 4.3944 5.2886 5.2887 10.9053 10.9053 12.0236 12.0277 20.8696 20.8704 21.1033 21.1186 k = 0.5500-0.2021 0.4082 ( 744 PWs) bands (ev): -1.2801 -1.2799 0.7600 0.7643 4.4976 4.5061 5.2675 5.2676 10.8783 10.8785 11.8430 11.8467 20.9662 20.9671 21.1627 21.1768 k = 0.5450-0.2107 0.4082 ( 744 PWs) bands (ev): -1.2871 -1.2870 0.7459 0.7498 4.6061 4.6139 5.2484 5.2486 10.8522 10.8527 11.6750 11.6783 21.0559 21.0569 21.2178 21.2304 k = 0.5400-0.2194 0.4082 ( 744 PWs) bands (ev): -1.2938 -1.2937 0.7333 0.7366 4.7093 4.7165 5.2313 5.2315 10.8266 10.8273 11.5212 11.5241 21.1380 21.1391 21.2682 21.2794 k = 0.5350-0.2281 0.4082 ( 746 PWs) bands (ev): -1.3001 -1.3000 0.7220 0.7249 4.8058 4.8122 5.2162 5.2165 10.8007 10.8017 11.3836 11.3859 21.2120 21.2133 21.3139 21.3235 k = 0.5300-0.2367 0.4082 ( 746 PWs) bands (ev): -1.3058 -1.3057 0.7122 0.7147 4.8939 4.8996 5.2032 5.2035 10.7740 10.7753 11.2646 11.2663 21.2772 21.2787 21.3543 21.3622 k = 0.5250-0.2454 0.4082 ( 746 PWs) bands (ev): -1.3107 -1.3106 0.7039 0.7059 4.9720 4.9769 5.1923 5.1926 10.7460 10.7475 11.1661 11.1672 21.3330 21.3349 21.3895 21.3956 k = 0.5200-0.2540 0.4082 ( 740 PWs) bands (ev): -1.3149 -1.3148 0.6971 0.6987 5.0385 5.0426 5.1835 5.1839 10.7170 10.7186 11.0894 11.0899 21.3787 21.3810 21.4195 21.4237 k = 0.5150-0.2627 0.4082 ( 740 PWs) bands (ev): -1.3182 -1.3182 0.6918 0.6930 5.0915 5.0948 5.1772 5.1776 10.6885 10.6900 11.0337 11.0339 21.4138 21.4165 21.4442 21.4463 k = 0.5100-0.2714 0.4082 ( 740 PWs) bands (ev): -1.3206 -1.3206 0.6881 0.6889 5.1292 5.1315 5.1742 5.1746 10.6641 10.6652 10.9971 10.9971 21.4380 21.4406 21.4632 21.4639 k = 0.5050-0.2800 0.4082 ( 740 PWs) bands (ev): -1.3221 -1.3220 0.6859 0.6863 5.1488 5.1500 5.1762 5.1764 10.6477 10.6483 10.9766 10.9766 21.4521 21.4537 21.4755 21.4756 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -1.3225 -1.3225 0.6853 0.6853 5.1537 5.1537 5.1791 5.1791 10.6421 10.6421 10.9701 10.9701 21.4572 21.4572 21.4798 21.4798 Writing output data file BP.save init_run : 1.54s CPU 11.44s WALL ( 1 calls) electrons : 64.97s CPU 67.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.25s CPU 1.24s WALL ( 1 calls) Called by electrons: c_bands : 64.95s CPU 67.62s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.78s WALL ( 1 calls) v_h : 0.03s CPU 0.08s WALL ( 1 calls) v_xc : 0.10s CPU 0.37s WALL ( 1 calls) newd : 0.12s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 461 calls) cegterg : 49.50s CPU 50.15s WALL ( 480 calls) Called by sum_band: Called by *egterg: h_psi : 28.85s CPU 31.96s WALL ( 8731 calls) s_psi : 0.28s CPU 0.80s WALL ( 8731 calls) g_psi : 0.03s CPU 0.05s WALL ( 7790 calls) cdiaghg : 12.27s CPU 12.28s WALL ( 8251 calls) cegterg:over : 3.90s CPU 3.32s WALL ( 7790 calls) cegterg:upda : 0.18s CPU 0.30s WALL ( 7790 calls) cegterg:last : 0.03s CPU 0.24s WALL ( 1932 calls) Called by h_psi: h_psi:vloc : 24.74s CPU 28.65s WALL ( 8731 calls) h_psi:vnl : 4.09s CPU 3.26s WALL ( 8731 calls) add_vuspsi : 0.15s CPU 0.55s WALL ( 8731 calls) General routines calbec : 3.92s CPU 2.66s WALL ( 8731 calls) fft : 0.23s CPU 1.26s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 23.80s CPU 27.51s WALL ( 380988 calls) interpolate : 0.00s CPU 0.08s WALL ( 4 calls) davcio : 0.02s CPU 0.38s WALL ( 922 calls) Parallel routines fft_scatter : 17.45s CPU 19.71s WALL ( 381011 calls) PWSCF : 1m23.82s CPU 2m17.25s WALL This run was terminated on: 3:31:10 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=