Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:24:41 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BeO.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 16 4 1108 247 39 Max 43 17 5 1112 262 43 Sum 1531 583 169 39957 9185 1471 bravais-lattice index = 14 lattice parameter (alat) = 5.0724 a.u. unit-cell volume = 92.2816 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 10.00 number of Kohn-Sham states= 18 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.072360 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Be 4.00 9.01220 Be( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 546 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018315 k( 2) = ( 0.0060241 -0.0034780 0.0049187), wk = 0.0018315 k( 3) = ( 0.0120482 -0.0069560 0.0098373), wk = 0.0018315 k( 4) = ( 0.0180723 -0.0104340 0.0147560), wk = 0.0018315 k( 5) = ( 0.0240964 -0.0139121 0.0196746), wk = 0.0018315 k( 6) = ( 0.0301205 -0.0173901 0.0245933), wk = 0.0018315 k( 7) = ( 0.0361446 -0.0208681 0.0295119), wk = 0.0018315 k( 8) = ( 0.0421687 -0.0243461 0.0344306), wk = 0.0018315 k( 9) = ( 0.0481928 -0.0278241 0.0393492), wk = 0.0018315 k( 10) = ( 0.0542169 -0.0313021 0.0442679), wk = 0.0018315 k( 11) = ( 0.0602410 -0.0347801 0.0491865), wk = 0.0018315 k( 12) = ( 0.0662651 -0.0382582 0.0541052), wk = 0.0018315 k( 13) = ( 0.0722892 -0.0417362 0.0590239), wk = 0.0018315 k( 14) = ( 0.0783133 -0.0452142 0.0639425), wk = 0.0018315 k( 15) = ( 0.0843374 -0.0486922 0.0688612), wk = 0.0018315 k( 16) = ( 0.0903614 -0.0521702 0.0737798), wk = 0.0018315 k( 17) = ( 0.0963855 -0.0556482 0.0786985), wk = 0.0018315 k( 18) = ( 0.1024096 -0.0591262 0.0836171), wk = 0.0018315 k( 19) = ( 0.1084337 -0.0626042 0.0885358), wk = 0.0018315 k( 20) = ( 0.1144578 -0.0660823 0.0934544), wk = 0.0018315 k( 21) = ( 0.1204819 -0.0695603 0.0983731), wk = 0.0018315 k( 22) = ( 0.1265060 -0.0730383 0.1032917), wk = 0.0018315 k( 23) = ( 0.1325301 -0.0765163 0.1082104), wk = 0.0018315 k( 24) = ( 0.1385542 -0.0799943 0.1131290), wk = 0.0018315 k( 25) = ( 0.1445783 -0.0834723 0.1180477), wk = 0.0018315 k( 26) = ( 0.1506024 -0.0869503 0.1229664), wk = 0.0018315 k( 27) = ( 0.1566265 -0.0904284 0.1278850), wk = 0.0018315 k( 28) = ( 0.1626506 -0.0939064 0.1328037), wk = 0.0018315 k( 29) = ( 0.1686747 -0.0973844 0.1377223), wk = 0.0018315 k( 30) = ( 0.1746988 -0.1008624 0.1426410), wk = 0.0018315 k( 31) = ( 0.1807229 -0.1043404 0.1475596), wk = 0.0018315 k( 32) = ( 0.1867470 -0.1078184 0.1524783), wk = 0.0018315 k( 33) = ( 0.1927711 -0.1112964 0.1573969), wk = 0.0018315 k( 34) = ( 0.1987952 -0.1147745 0.1623156), wk = 0.0018315 k( 35) = ( 0.2048193 -0.1182525 0.1672342), wk = 0.0018315 k( 36) = ( 0.2108434 -0.1217305 0.1721529), wk = 0.0018315 k( 37) = ( 0.2168675 -0.1252085 0.1770715), wk = 0.0018315 k( 38) = ( 0.2228916 -0.1286865 0.1819902), wk = 0.0018315 k( 39) = ( 0.2289157 -0.1321645 0.1869089), wk = 0.0018315 k( 40) = ( 0.2349398 -0.1356425 0.1918275), wk = 0.0018315 k( 41) = ( 0.2409639 -0.1391205 0.1967462), wk = 0.0018315 k( 42) = ( 0.2469880 -0.1425986 0.2016648), wk = 0.0018315 k( 43) = ( 0.2530120 -0.1460766 0.2065835), wk = 0.0018315 k( 44) = ( 0.2590361 -0.1495546 0.2115021), wk = 0.0018315 k( 45) = ( 0.2650602 -0.1530326 0.2164208), wk = 0.0018315 k( 46) = ( 0.2710843 -0.1565106 0.2213394), wk = 0.0018315 k( 47) = ( 0.2771084 -0.1599886 0.2262581), wk = 0.0018315 k( 48) = ( 0.2831325 -0.1634666 0.2311767), wk = 0.0018315 k( 49) = ( 0.2891566 -0.1669447 0.2360954), wk = 0.0018315 k( 50) = ( 0.2951807 -0.1704227 0.2410140), wk = 0.0018315 k( 51) = ( 0.3012048 -0.1739007 0.2459327), wk = 0.0018315 k( 52) = ( 0.3072289 -0.1773787 0.2508514), wk = 0.0018315 k( 53) = ( 0.3132530 -0.1808567 0.2557700), wk = 0.0018315 k( 54) = ( 0.3192771 -0.1843347 0.2606887), wk = 0.0018315 k( 55) = ( 0.3253012 -0.1878127 0.2656073), wk = 0.0018315 k( 56) = ( 0.3313253 -0.1912908 0.2705260), wk = 0.0018315 k( 57) = ( 0.3373494 -0.1947688 0.2754446), wk = 0.0018315 k( 58) = ( 0.3433735 -0.1982468 0.2803633), wk = 0.0018315 k( 59) = ( 0.3493976 -0.2017248 0.2852819), wk = 0.0018315 k( 60) = ( 0.3554217 -0.2052028 0.2902006), wk = 0.0018315 k( 61) = ( 0.3614458 -0.2086808 0.2951192), wk = 0.0018315 k( 62) = ( 0.3674699 -0.2121588 0.3000379), wk = 0.0018315 k( 63) = ( 0.3734940 -0.2156368 0.3049566), wk = 0.0018315 k( 64) = ( 0.3795181 -0.2191149 0.3098752), wk = 0.0018315 k( 65) = ( 0.3855422 -0.2225929 0.3147939), wk = 0.0018315 k( 66) = ( 0.3915663 -0.2260709 0.3197125), wk = 0.0018315 k( 67) = ( 0.3975904 -0.2295489 0.3246312), wk = 0.0018315 k( 68) = ( 0.4036145 -0.2330269 0.3295498), wk = 0.0018315 k( 69) = ( 0.4096385 -0.2365049 0.3344685), wk = 0.0018315 k( 70) = ( 0.4156627 -0.2399829 0.3393871), wk = 0.0018315 k( 71) = ( 0.4216867 -0.2434610 0.3443058), wk = 0.0018315 k( 72) = ( 0.4277108 -0.2469390 0.3492244), wk = 0.0018315 k( 73) = ( 0.4337349 -0.2504170 0.3541431), wk = 0.0018315 k( 74) = ( 0.4397590 -0.2538950 0.3590618), wk = 0.0018315 k( 75) = ( 0.4457831 -0.2573730 0.3639804), wk = 0.0018315 k( 76) = ( 0.4518072 -0.2608510 0.3688991), wk = 0.0018315 k( 77) = ( 0.4578313 -0.2643290 0.3738177), wk = 0.0018315 k( 78) = ( 0.4638554 -0.2678071 0.3787364), wk = 0.0018315 k( 79) = ( 0.4698795 -0.2712851 0.3836550), wk = 0.0018315 k( 80) = ( 0.4759036 -0.2747631 0.3885737), wk = 0.0018315 k( 81) = ( 0.4819277 -0.2782411 0.3934923), wk = 0.0018315 k( 82) = ( 0.4879518 -0.2817191 0.3984110), wk = 0.0018315 k( 83) = ( 0.4939759 -0.2851971 0.4033296), wk = 0.0018315 k( 84) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0018315 k( 85) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0018315 k( 86) = ( 0.5000000 -0.2818019 0.4131084), wk = 0.0018315 k( 87) = ( 0.5000000 -0.2749287 0.4179685), wk = 0.0018315 k( 88) = ( 0.5000000 -0.2680555 0.4228286), wk = 0.0018315 k( 89) = ( 0.5000000 -0.2611823 0.4276887), wk = 0.0018315 k( 90) = ( 0.5000000 -0.2543091 0.4325488), wk = 0.0018315 k( 91) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0018315 k( 92) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0018315 k( 93) = ( 0.5000000 -0.2336894 0.4471291), wk = 0.0018315 k( 94) = ( 0.5000000 -0.2268162 0.4519892), wk = 0.0018315 k( 95) = ( 0.5000000 -0.2199430 0.4568493), wk = 0.0018315 k( 96) = ( 0.5000000 -0.2130697 0.4617094), wk = 0.0018315 k( 97) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0018315 k( 98) = ( 0.5000000 -0.1993233 0.4714296), wk = 0.0018315 k( 99) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0018315 k( 100) = ( 0.5000000 -0.1855769 0.4811498), wk = 0.0018315 k( 101) = ( 0.5000000 -0.1787036 0.4860099), wk = 0.0018315 k( 102) = ( 0.5000000 -0.1718304 0.4908700), wk = 0.0018315 k( 103) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0018315 k( 104) = ( 0.5000000 -0.1580840 0.5005902), wk = 0.0018315 k( 105) = ( 0.5000000 -0.1512108 0.5054503), wk = 0.0018315 k( 106) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0018315 k( 107) = ( 0.5000000 -0.1374644 0.5151705), wk = 0.0018315 k( 108) = ( 0.5000000 -0.1305911 0.5200306), wk = 0.0018315 k( 109) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0018315 k( 110) = ( 0.5000000 -0.1168447 0.5297508), wk = 0.0018315 k( 111) = ( 0.5000000 -0.1099715 0.5346109), wk = 0.0018315 k( 112) = ( 0.5000000 -0.1030983 0.5394710), wk = 0.0018315 k( 113) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0018315 k( 114) = ( 0.5000000 -0.0893518 0.5491912), wk = 0.0018315 k( 115) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0018315 k( 116) = ( 0.5000000 -0.0756054 0.5589114), wk = 0.0018315 k( 117) = ( 0.5000000 -0.0687322 0.5637714), wk = 0.0018315 k( 118) = ( 0.5000000 -0.0618590 0.5686315), wk = 0.0018315 k( 119) = ( 0.5000000 -0.0549857 0.5734916), wk = 0.0018315 k( 120) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0018315 k( 121) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0018315 k( 122) = ( 0.5000000 -0.0343661 0.5880719), wk = 0.0018315 k( 123) = ( 0.5000000 -0.0274929 0.5929320), wk = 0.0018315 k( 124) = ( 0.5000000 -0.0206196 0.5977921), wk = 0.0018315 k( 125) = ( 0.5000000 -0.0137464 0.6026522), wk = 0.0018315 k( 126) = ( 0.5000000 -0.0068732 0.6075123), wk = 0.0018315 k( 127) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0018315 k( 128) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0018315 k( 129) = ( 0.4958333 0.0072169 0.6123724), wk = 0.0018315 k( 130) = ( 0.4916667 0.0144338 0.6123724), wk = 0.0018315 k( 131) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0018315 k( 132) = ( 0.4833333 0.0288675 0.6123724), wk = 0.0018315 k( 133) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0018315 k( 134) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0018315 k( 135) = ( 0.4708333 0.0505182 0.6123724), wk = 0.0018315 k( 136) = ( 0.4666667 0.0577350 0.6123724), wk = 0.0018315 k( 137) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0018315 k( 138) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0018315 k( 139) = ( 0.4541667 0.0793857 0.6123724), wk = 0.0018315 k( 140) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0018315 k( 141) = ( 0.4458333 0.0938194 0.6123724), wk = 0.0018315 k( 142) = ( 0.4416667 0.1010363 0.6123724), wk = 0.0018315 k( 143) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0018315 k( 144) = ( 0.4333333 0.1154701 0.6123724), wk = 0.0018315 k( 145) = ( 0.4291667 0.1226869 0.6123724), wk = 0.0018315 k( 146) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0018315 k( 147) = ( 0.4208333 0.1371207 0.6123724), wk = 0.0018315 k( 148) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0018315 k( 149) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0018315 k( 150) = ( 0.4083333 0.1587713 0.6123724), wk = 0.0018315 k( 151) = ( 0.4041667 0.1659882 0.6123724), wk = 0.0018315 k( 152) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0018315 k( 153) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0018315 k( 154) = ( 0.3916667 0.1876388 0.6123724), wk = 0.0018315 k( 155) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0018315 k( 156) = ( 0.3833333 0.2020726 0.6123724), wk = 0.0018315 k( 157) = ( 0.3791667 0.2092895 0.6123724), wk = 0.0018315 k( 158) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0018315 k( 159) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0018315 k( 160) = ( 0.3707386 0.2140461 0.6054137), wk = 0.0018315 k( 161) = ( 0.3664773 0.2115858 0.5984549), wk = 0.0018315 k( 162) = ( 0.3622159 0.2091255 0.5914961), wk = 0.0018315 k( 163) = ( 0.3579545 0.2066652 0.5845373), wk = 0.0018315 k( 164) = ( 0.3536932 0.2042049 0.5775785), wk = 0.0018315 k( 165) = ( 0.3494318 0.2017446 0.5706198), wk = 0.0018315 k( 166) = ( 0.3451705 0.1992843 0.5636610), wk = 0.0018315 k( 167) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0018315 k( 168) = ( 0.3366477 0.1943637 0.5497434), wk = 0.0018315 k( 169) = ( 0.3323864 0.1919034 0.5427847), wk = 0.0018315 k( 170) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0018315 k( 171) = ( 0.3238636 0.1869828 0.5288671), wk = 0.0018315 k( 172) = ( 0.3196023 0.1845225 0.5219083), wk = 0.0018315 k( 173) = ( 0.3153409 0.1820622 0.5149495), wk = 0.0018315 k( 174) = ( 0.3110795 0.1796019 0.5079908), wk = 0.0018315 k( 175) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0018315 k( 176) = ( 0.3025568 0.1746813 0.4940732), wk = 0.0018315 k( 177) = ( 0.2982955 0.1722210 0.4871144), wk = 0.0018315 k( 178) = ( 0.2940341 0.1697607 0.4801557), wk = 0.0018315 k( 179) = ( 0.2897727 0.1673004 0.4731969), wk = 0.0018315 k( 180) = ( 0.2855114 0.1648401 0.4662381), wk = 0.0018315 k( 181) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0018315 k( 182) = ( 0.2769886 0.1599195 0.4523205), wk = 0.0018315 k( 183) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0018315 k( 184) = ( 0.2684659 0.1549989 0.4384030), wk = 0.0018315 k( 185) = ( 0.2642045 0.1525386 0.4314442), wk = 0.0018315 k( 186) = ( 0.2599432 0.1500783 0.4244854), wk = 0.0018315 k( 187) = ( 0.2556818 0.1476180 0.4175267), wk = 0.0018315 k( 188) = ( 0.2514205 0.1451577 0.4105679), wk = 0.0018315 k( 189) = ( 0.2471591 0.1426974 0.4036091), wk = 0.0018315 k( 190) = ( 0.2428977 0.1402371 0.3966503), wk = 0.0018315 k( 191) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0018315 k( 192) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0018315 k( 193) = ( 0.2301136 0.1328562 0.3757740), wk = 0.0018315 k( 194) = ( 0.2258523 0.1303959 0.3688152), wk = 0.0018315 k( 195) = ( 0.2215909 0.1279356 0.3618564), wk = 0.0018315 k( 196) = ( 0.2173296 0.1254753 0.3548977), wk = 0.0018315 k( 197) = ( 0.2130682 0.1230150 0.3479389), wk = 0.0018315 k( 198) = ( 0.2088068 0.1205547 0.3409801), wk = 0.0018315 k( 199) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0018315 k( 200) = ( 0.2002841 0.1156341 0.3270625), wk = 0.0018315 k( 201) = ( 0.1960227 0.1131738 0.3201038), wk = 0.0018315 k( 202) = ( 0.1917614 0.1107135 0.3131450), wk = 0.0018315 k( 203) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0018315 k( 204) = ( 0.1832386 0.1057929 0.2992274), wk = 0.0018315 k( 205) = ( 0.1789773 0.1033326 0.2922687), wk = 0.0018315 k( 206) = ( 0.1747159 0.1008723 0.2853099), wk = 0.0018315 k( 207) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0018315 k( 208) = ( 0.1661932 0.0959517 0.2713923), wk = 0.0018315 k( 209) = ( 0.1619318 0.0934914 0.2644336), wk = 0.0018315 k( 210) = ( 0.1576704 0.0910311 0.2574748), wk = 0.0018315 k( 211) = ( 0.1534091 0.0885708 0.2505160), wk = 0.0018315 k( 212) = ( 0.1491477 0.0861105 0.2435572), wk = 0.0018315 k( 213) = ( 0.1448864 0.0836502 0.2365984), wk = 0.0018315 k( 214) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0018315 k( 215) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0018315 k( 216) = ( 0.1321023 0.0762693 0.2157221), wk = 0.0018315 k( 217) = ( 0.1278409 0.0738090 0.2087633), wk = 0.0018315 k( 218) = ( 0.1235795 0.0713487 0.2018045), wk = 0.0018315 k( 219) = ( 0.1193182 0.0688884 0.1948458), wk = 0.0018315 k( 220) = ( 0.1150568 0.0664281 0.1878870), wk = 0.0018315 k( 221) = ( 0.1107955 0.0639678 0.1809282), wk = 0.0018315 k( 222) = ( 0.1065341 0.0615075 0.1739694), wk = 0.0018315 k( 223) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0018315 k( 224) = ( 0.0980114 0.0565869 0.1600519), wk = 0.0018315 k( 225) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0018315 k( 226) = ( 0.0894886 0.0516663 0.1461343), wk = 0.0018315 k( 227) = ( 0.0852273 0.0492060 0.1391756), wk = 0.0018315 k( 228) = ( 0.0809659 0.0467457 0.1322168), wk = 0.0018315 k( 229) = ( 0.0767045 0.0442854 0.1252580), wk = 0.0018315 k( 230) = ( 0.0724432 0.0418251 0.1182992), wk = 0.0018315 k( 231) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0018315 k( 232) = ( 0.0639205 0.0369045 0.1043817), wk = 0.0018315 k( 233) = ( 0.0596591 0.0344442 0.0974229), wk = 0.0018315 k( 234) = ( 0.0553977 0.0319839 0.0904641), wk = 0.0018315 k( 235) = ( 0.0511364 0.0295236 0.0835053), wk = 0.0018315 k( 236) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0018315 k( 237) = ( 0.0426136 0.0246030 0.0695878), wk = 0.0018315 k( 238) = ( 0.0383523 0.0221427 0.0626290), wk = 0.0018315 k( 239) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0018315 k( 240) = ( 0.0298295 0.0172221 0.0487114), wk = 0.0018315 k( 241) = ( 0.0255682 0.0147618 0.0417527), wk = 0.0018315 k( 242) = ( 0.0213068 0.0123015 0.0347939), wk = 0.0018315 k( 243) = ( 0.0170455 0.0098412 0.0278351), wk = 0.0018315 k( 244) = ( 0.0127841 0.0073809 0.0208763), wk = 0.0018315 k( 245) = ( 0.0085227 0.0049206 0.0139175), wk = 0.0018315 k( 246) = ( 0.0042614 0.0024603 0.0069588), wk = 0.0018315 k( 247) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018315 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018315 k( 249) = ( 0.0069444 0.0040094 0.0028351), wk = 0.0018315 k( 250) = ( 0.0138889 0.0080188 0.0056701), wk = 0.0018315 k( 251) = ( 0.0208333 0.0120281 0.0085052), wk = 0.0018315 k( 252) = ( 0.0277778 0.0160375 0.0113402), wk = 0.0018315 k( 253) = ( 0.0347222 0.0200469 0.0141753), wk = 0.0018315 k( 254) = ( 0.0416667 0.0240563 0.0170103), wk = 0.0018315 k( 255) = ( 0.0486111 0.0280656 0.0198454), wk = 0.0018315 k( 256) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0018315 k( 257) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0018315 k( 258) = ( 0.0694444 0.0400938 0.0283506), wk = 0.0018315 k( 259) = ( 0.0763889 0.0441031 0.0311856), wk = 0.0018315 k( 260) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0018315 k( 261) = ( 0.0902778 0.0521219 0.0368557), wk = 0.0018315 k( 262) = ( 0.0972222 0.0561313 0.0396908), wk = 0.0018315 k( 263) = ( 0.1041667 0.0601407 0.0425259), wk = 0.0018315 k( 264) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0018315 k( 265) = ( 0.1180556 0.0681594 0.0481960), wk = 0.0018315 k( 266) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0018315 k( 267) = ( 0.1319444 0.0761782 0.0538661), wk = 0.0018315 k( 268) = ( 0.1388889 0.0801875 0.0567012), wk = 0.0018315 k( 269) = ( 0.1458333 0.0841969 0.0595362), wk = 0.0018315 k( 270) = ( 0.1527778 0.0882063 0.0623713), wk = 0.0018315 k( 271) = ( 0.1597222 0.0922157 0.0652063), wk = 0.0018315 k( 272) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0018315 k( 273) = ( 0.1736111 0.1002344 0.0708764), wk = 0.0018315 k( 274) = ( 0.1805556 0.1042438 0.0737115), wk = 0.0018315 k( 275) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0018315 k( 276) = ( 0.1944444 0.1122625 0.0793816), wk = 0.0018315 k( 277) = ( 0.2013889 0.1162719 0.0822167), wk = 0.0018315 k( 278) = ( 0.2083333 0.1202813 0.0850517), wk = 0.0018315 k( 279) = ( 0.2152778 0.1242907 0.0878868), wk = 0.0018315 k( 280) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0018315 k( 281) = ( 0.2291667 0.1323094 0.0935569), wk = 0.0018315 k( 282) = ( 0.2361111 0.1363188 0.0963920), wk = 0.0018315 k( 283) = ( 0.2430556 0.1403282 0.0992270), wk = 0.0018315 k( 284) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0018315 k( 285) = ( 0.2569444 0.1483469 0.1048971), wk = 0.0018315 k( 286) = ( 0.2638889 0.1523563 0.1077322), wk = 0.0018315 k( 287) = ( 0.2708333 0.1563657 0.1105672), wk = 0.0018315 k( 288) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0018315 k( 289) = ( 0.2847222 0.1643845 0.1162374), wk = 0.0018315 k( 290) = ( 0.2916667 0.1683938 0.1190724), wk = 0.0018315 k( 291) = ( 0.2986111 0.1724032 0.1219075), wk = 0.0018315 k( 292) = ( 0.3055556 0.1764126 0.1247425), wk = 0.0018315 k( 293) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0018315 k( 294) = ( 0.3194444 0.1844313 0.1304126), wk = 0.0018315 k( 295) = ( 0.3263889 0.1884407 0.1332477), wk = 0.0018315 k( 296) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0018315 k( 297) = ( 0.3402778 0.1964595 0.1389178), wk = 0.0018315 k( 298) = ( 0.3472222 0.2004688 0.1417529), wk = 0.0018315 k( 299) = ( 0.3541667 0.2044782 0.1445879), wk = 0.0018315 k( 300) = ( 0.3611111 0.2084876 0.1474230), wk = 0.0018315 k( 301) = ( 0.3680556 0.2124970 0.1502581), wk = 0.0018315 k( 302) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0018315 k( 303) = ( 0.3819444 0.2205157 0.1559282), wk = 0.0018315 k( 304) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0018315 k( 305) = ( 0.3958333 0.2285345 0.1615983), wk = 0.0018315 k( 306) = ( 0.4027778 0.2325439 0.1644333), wk = 0.0018315 k( 307) = ( 0.4097222 0.2365532 0.1672684), wk = 0.0018315 k( 308) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0018315 k( 309) = ( 0.4236111 0.2445720 0.1729385), wk = 0.0018315 k( 310) = ( 0.4305556 0.2485814 0.1757736), wk = 0.0018315 k( 311) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0018315 k( 312) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0018315 k( 313) = ( 0.4513889 0.2606095 0.1842787), wk = 0.0018315 k( 314) = ( 0.4583333 0.2646189 0.1871138), wk = 0.0018315 k( 315) = ( 0.4652778 0.2686283 0.1899489), wk = 0.0018315 k( 316) = ( 0.4722222 0.2726376 0.1927839), wk = 0.0018315 k( 317) = ( 0.4791667 0.2766470 0.1956190), wk = 0.0018315 k( 318) = ( 0.4861111 0.2806564 0.1984540), wk = 0.0018315 k( 319) = ( 0.4930556 0.2846658 0.2012891), wk = 0.0018315 k( 320) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0018315 k( 321) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0018315 k( 322) = ( 0.5024510 0.2815998 0.2081266), wk = 0.0018315 k( 323) = ( 0.5049020 0.2745244 0.2121290), wk = 0.0018315 k( 324) = ( 0.5073529 0.2674490 0.2161314), wk = 0.0018315 k( 325) = ( 0.5098039 0.2603737 0.2201339), wk = 0.0018315 k( 326) = ( 0.5122549 0.2532983 0.2241363), wk = 0.0018315 k( 327) = ( 0.5147059 0.2462229 0.2281387), wk = 0.0018315 k( 328) = ( 0.5171569 0.2391475 0.2321412), wk = 0.0018315 k( 329) = ( 0.5196078 0.2320722 0.2361436), wk = 0.0018315 k( 330) = ( 0.5220588 0.2249968 0.2401461), wk = 0.0018315 k( 331) = ( 0.5245098 0.2179214 0.2441485), wk = 0.0018315 k( 332) = ( 0.5269608 0.2108461 0.2481509), wk = 0.0018315 k( 333) = ( 0.5294118 0.2037707 0.2521534), wk = 0.0018315 k( 334) = ( 0.5318628 0.1966953 0.2561558), wk = 0.0018315 k( 335) = ( 0.5343137 0.1896199 0.2601582), wk = 0.0018315 k( 336) = ( 0.5367647 0.1825446 0.2641607), wk = 0.0018315 k( 337) = ( 0.5392157 0.1754692 0.2681631), wk = 0.0018315 k( 338) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0018315 k( 339) = ( 0.5441177 0.1613185 0.2761680), wk = 0.0018315 k( 340) = ( 0.5465686 0.1542431 0.2801704), wk = 0.0018315 k( 341) = ( 0.5490196 0.1471677 0.2841728), wk = 0.0018315 k( 342) = ( 0.5514706 0.1400923 0.2881753), wk = 0.0018315 k( 343) = ( 0.5539216 0.1330170 0.2921777), wk = 0.0018315 k( 344) = ( 0.5563725 0.1259416 0.2961801), wk = 0.0018315 k( 345) = ( 0.5588235 0.1188662 0.3001826), wk = 0.0018315 k( 346) = ( 0.5612745 0.1117909 0.3041850), wk = 0.0018315 k( 347) = ( 0.5637255 0.1047155 0.3081874), wk = 0.0018315 k( 348) = ( 0.5661765 0.0976401 0.3121899), wk = 0.0018315 k( 349) = ( 0.5686275 0.0905648 0.3161923), wk = 0.0018315 k( 350) = ( 0.5710784 0.0834894 0.3201947), wk = 0.0018315 k( 351) = ( 0.5735294 0.0764140 0.3241972), wk = 0.0018315 k( 352) = ( 0.5759804 0.0693386 0.3281996), wk = 0.0018315 k( 353) = ( 0.5784314 0.0622633 0.3322020), wk = 0.0018315 k( 354) = ( 0.5808823 0.0551879 0.3362045), wk = 0.0018315 k( 355) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0018315 k( 356) = ( 0.5857843 0.0410372 0.3442093), wk = 0.0018315 k( 357) = ( 0.5882353 0.0339618 0.3482118), wk = 0.0018315 k( 358) = ( 0.5906863 0.0268864 0.3522142), wk = 0.0018315 k( 359) = ( 0.5931372 0.0198110 0.3562166), wk = 0.0018315 k( 360) = ( 0.5955882 0.0127357 0.3602191), wk = 0.0018315 k( 361) = ( 0.5980392 0.0056603 0.3642215), wk = 0.0018315 k( 362) = ( 0.6004902 -0.0014151 0.3682240), wk = 0.0018315 k( 363) = ( 0.6029412 -0.0084904 0.3722264), wk = 0.0018315 k( 364) = ( 0.6053922 -0.0155658 0.3762288), wk = 0.0018315 k( 365) = ( 0.6078431 -0.0226412 0.3802313), wk = 0.0018315 k( 366) = ( 0.6102941 -0.0297166 0.3842337), wk = 0.0018315 k( 367) = ( 0.6127451 -0.0367919 0.3882361), wk = 0.0018315 k( 368) = ( 0.6151961 -0.0438673 0.3922386), wk = 0.0018315 k( 369) = ( 0.6176471 -0.0509427 0.3962410), wk = 0.0018315 k( 370) = ( 0.6200980 -0.0580180 0.4002434), wk = 0.0018315 k( 371) = ( 0.6225490 -0.0650934 0.4042459), wk = 0.0018315 k( 372) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0018315 k( 373) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0018315 k( 374) = ( 0.6208333 -0.0697632 0.4150524), wk = 0.0018315 k( 375) = ( 0.6166667 -0.0673575 0.4218566), wk = 0.0018315 k( 376) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0018315 k( 377) = ( 0.6083333 -0.0625463 0.4354648), wk = 0.0018315 k( 378) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0018315 k( 379) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0018315 k( 380) = ( 0.5958333 -0.0553294 0.4558773), wk = 0.0018315 k( 381) = ( 0.5916667 -0.0529238 0.4626814), wk = 0.0018315 k( 382) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0018315 k( 383) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0018315 k( 384) = ( 0.5791667 -0.0457069 0.4830938), wk = 0.0018315 k( 385) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0018315 k( 386) = ( 0.5708333 -0.0408956 0.4967021), wk = 0.0018315 k( 387) = ( 0.5666667 -0.0384900 0.5035062), wk = 0.0018315 k( 388) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0018315 k( 389) = ( 0.5583333 -0.0336788 0.5171145), wk = 0.0018315 k( 390) = ( 0.5541667 -0.0312731 0.5239186), wk = 0.0018315 k( 391) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0018315 k( 392) = ( 0.5458333 -0.0264619 0.5375269), wk = 0.0018315 k( 393) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0018315 k( 394) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0018315 k( 395) = ( 0.5333333 -0.0192450 0.5579393), wk = 0.0018315 k( 396) = ( 0.5291667 -0.0168394 0.5647435), wk = 0.0018315 k( 397) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0018315 k( 398) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0018315 k( 399) = ( 0.5166667 -0.0096225 0.5851559), wk = 0.0018315 k( 400) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0018315 k( 401) = ( 0.5083333 -0.0048113 0.5987642), wk = 0.0018315 k( 402) = ( 0.5041667 -0.0024056 0.6055683), wk = 0.0018315 k( 403) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0018315 k( 404) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0018315 k( 405) = ( 0.5000000 0.0048928 0.6054530), wk = 0.0018315 k( 406) = ( 0.5000000 0.0097856 0.5985335), wk = 0.0018315 k( 407) = ( 0.5000000 0.0146784 0.5916141), wk = 0.0018315 k( 408) = ( 0.5000000 0.0195712 0.5846946), wk = 0.0018315 k( 409) = ( 0.5000000 0.0244640 0.5777751), wk = 0.0018315 k( 410) = ( 0.5000000 0.0293568 0.5708557), wk = 0.0018315 k( 411) = ( 0.5000000 0.0342496 0.5639362), wk = 0.0018315 k( 412) = ( 0.5000000 0.0391424 0.5570167), wk = 0.0018315 k( 413) = ( 0.5000000 0.0440352 0.5500973), wk = 0.0018315 k( 414) = ( 0.5000000 0.0489280 0.5431778), wk = 0.0018315 k( 415) = ( 0.5000000 0.0538208 0.5362583), wk = 0.0018315 k( 416) = ( 0.5000000 0.0587136 0.5293389), wk = 0.0018315 k( 417) = ( 0.5000000 0.0636064 0.5224194), wk = 0.0018315 k( 418) = ( 0.5000000 0.0684992 0.5155000), wk = 0.0018315 k( 419) = ( 0.5000000 0.0733920 0.5085805), wk = 0.0018315 k( 420) = ( 0.5000000 0.0782848 0.5016610), wk = 0.0018315 k( 421) = ( 0.5000000 0.0831776 0.4947416), wk = 0.0018315 k( 422) = ( 0.5000000 0.0880704 0.4878221), wk = 0.0018315 k( 423) = ( 0.5000000 0.0929632 0.4809027), wk = 0.0018315 k( 424) = ( 0.5000000 0.0978560 0.4739832), wk = 0.0018315 k( 425) = ( 0.5000000 0.1027488 0.4670637), wk = 0.0018315 k( 426) = ( 0.5000000 0.1076416 0.4601443), wk = 0.0018315 k( 427) = ( 0.5000000 0.1125344 0.4532248), wk = 0.0018315 k( 428) = ( 0.5000000 0.1174272 0.4463053), wk = 0.0018315 k( 429) = ( 0.5000000 0.1223200 0.4393859), wk = 0.0018315 k( 430) = ( 0.5000000 0.1272128 0.4324664), wk = 0.0018315 k( 431) = ( 0.5000000 0.1321056 0.4255469), wk = 0.0018315 k( 432) = ( 0.5000000 0.1369984 0.4186275), wk = 0.0018315 k( 433) = ( 0.5000000 0.1418912 0.4117080), wk = 0.0018315 k( 434) = ( 0.5000000 0.1467840 0.4047886), wk = 0.0018315 k( 435) = ( 0.5000000 0.1516768 0.3978691), wk = 0.0018315 k( 436) = ( 0.5000000 0.1565696 0.3909496), wk = 0.0018315 k( 437) = ( 0.5000000 0.1614624 0.3840302), wk = 0.0018315 k( 438) = ( 0.5000000 0.1663552 0.3771107), wk = 0.0018315 k( 439) = ( 0.5000000 0.1712480 0.3701913), wk = 0.0018315 k( 440) = ( 0.5000000 0.1761408 0.3632718), wk = 0.0018315 k( 441) = ( 0.5000000 0.1810336 0.3563523), wk = 0.0018315 k( 442) = ( 0.5000000 0.1859264 0.3494329), wk = 0.0018315 k( 443) = ( 0.5000000 0.1908192 0.3425134), wk = 0.0018315 k( 444) = ( 0.5000000 0.1957120 0.3355939), wk = 0.0018315 k( 445) = ( 0.5000000 0.2006048 0.3286745), wk = 0.0018315 k( 446) = ( 0.5000000 0.2054976 0.3217550), wk = 0.0018315 k( 447) = ( 0.5000000 0.2103904 0.3148355), wk = 0.0018315 k( 448) = ( 0.5000000 0.2152832 0.3079161), wk = 0.0018315 k( 449) = ( 0.5000000 0.2201760 0.3009966), wk = 0.0018315 k( 450) = ( 0.5000000 0.2250687 0.2940772), wk = 0.0018315 k( 451) = ( 0.5000000 0.2299615 0.2871577), wk = 0.0018315 k( 452) = ( 0.5000000 0.2348543 0.2802382), wk = 0.0018315 k( 453) = ( 0.5000000 0.2397471 0.2733188), wk = 0.0018315 k( 454) = ( 0.5000000 0.2446399 0.2663993), wk = 0.0018315 k( 455) = ( 0.5000000 0.2495327 0.2594799), wk = 0.0018315 k( 456) = ( 0.5000000 0.2544255 0.2525604), wk = 0.0018315 k( 457) = ( 0.5000000 0.2593183 0.2456409), wk = 0.0018315 k( 458) = ( 0.5000000 0.2642111 0.2387215), wk = 0.0018315 k( 459) = ( 0.5000000 0.2691039 0.2318020), wk = 0.0018315 k( 460) = ( 0.5000000 0.2739967 0.2248825), wk = 0.0018315 k( 461) = ( 0.5000000 0.2788895 0.2179631), wk = 0.0018315 k( 462) = ( 0.5000000 0.2837823 0.2110436), wk = 0.0018315 k( 463) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0018315 k( 464) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0018315 k( 465) = ( 0.4975490 0.2872601 0.2121290), wk = 0.0018315 k( 466) = ( 0.4950980 0.2858450 0.2201339), wk = 0.0018315 k( 467) = ( 0.4926471 0.2844299 0.2281387), wk = 0.0018315 k( 468) = ( 0.4901961 0.2830148 0.2361436), wk = 0.0018315 k( 469) = ( 0.4877451 0.2815998 0.2441485), wk = 0.0018315 k( 470) = ( 0.4852941 0.2801847 0.2521533), wk = 0.0018315 k( 471) = ( 0.4828431 0.2787696 0.2601582), wk = 0.0018315 k( 472) = ( 0.4803922 0.2773545 0.2681631), wk = 0.0018315 k( 473) = ( 0.4779412 0.2759395 0.2761680), wk = 0.0018315 k( 474) = ( 0.4754902 0.2745244 0.2841728), wk = 0.0018315 k( 475) = ( 0.4730392 0.2731093 0.2921777), wk = 0.0018315 k( 476) = ( 0.4705882 0.2716942 0.3001826), wk = 0.0018315 k( 477) = ( 0.4681373 0.2702792 0.3081874), wk = 0.0018315 k( 478) = ( 0.4656863 0.2688641 0.3161923), wk = 0.0018315 k( 479) = ( 0.4632353 0.2674490 0.3241972), wk = 0.0018315 k( 480) = ( 0.4607843 0.2660339 0.3322020), wk = 0.0018315 k( 481) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0018315 k( 482) = ( 0.4558823 0.2632038 0.3482118), wk = 0.0018315 k( 483) = ( 0.4534314 0.2617887 0.3562166), wk = 0.0018315 k( 484) = ( 0.4509804 0.2603736 0.3642215), wk = 0.0018315 k( 485) = ( 0.4485294 0.2589586 0.3722264), wk = 0.0018315 k( 486) = ( 0.4460784 0.2575435 0.3802313), wk = 0.0018315 k( 487) = ( 0.4436274 0.2561284 0.3882361), wk = 0.0018315 k( 488) = ( 0.4411765 0.2547134 0.3962410), wk = 0.0018315 k( 489) = ( 0.4387255 0.2532983 0.4042459), wk = 0.0018315 k( 490) = ( 0.4362745 0.2518832 0.4122507), wk = 0.0018315 k( 491) = ( 0.4338235 0.2504681 0.4202556), wk = 0.0018315 k( 492) = ( 0.4313726 0.2490531 0.4282605), wk = 0.0018315 k( 493) = ( 0.4289216 0.2476380 0.4362653), wk = 0.0018315 k( 494) = ( 0.4264706 0.2462229 0.4442702), wk = 0.0018315 k( 495) = ( 0.4240196 0.2448078 0.4522751), wk = 0.0018315 k( 496) = ( 0.4215686 0.2433928 0.4602799), wk = 0.0018315 k( 497) = ( 0.4191177 0.2419777 0.4682848), wk = 0.0018315 k( 498) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0018315 k( 499) = ( 0.4142157 0.2391475 0.4842945), wk = 0.0018315 k( 500) = ( 0.4117647 0.2377325 0.4922994), wk = 0.0018315 k( 501) = ( 0.4093137 0.2363174 0.5003043), wk = 0.0018315 k( 502) = ( 0.4068627 0.2349023 0.5083091), wk = 0.0018315 k( 503) = ( 0.4044118 0.2334872 0.5163140), wk = 0.0018315 k( 504) = ( 0.4019608 0.2320722 0.5243189), wk = 0.0018315 k( 505) = ( 0.3995098 0.2306571 0.5323238), wk = 0.0018315 k( 506) = ( 0.3970588 0.2292420 0.5403286), wk = 0.0018315 k( 507) = ( 0.3946078 0.2278269 0.5483335), wk = 0.0018315 k( 508) = ( 0.3921569 0.2264119 0.5563384), wk = 0.0018315 k( 509) = ( 0.3897059 0.2249968 0.5643432), wk = 0.0018315 k( 510) = ( 0.3872549 0.2235817 0.5723481), wk = 0.0018315 k( 511) = ( 0.3848039 0.2221666 0.5803530), wk = 0.0018315 k( 512) = ( 0.3823529 0.2207516 0.5883578), wk = 0.0018315 k( 513) = ( 0.3799020 0.2193365 0.5963627), wk = 0.0018315 k( 514) = ( 0.3774510 0.2179214 0.6043676), wk = 0.0018315 k( 515) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0018315 k( 516) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0018315 k( 517) = ( 0.6208333 -0.0793857 0.4082483), wk = 0.0018315 k( 518) = ( 0.6166667 -0.0866025 0.4082483), wk = 0.0018315 k( 519) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0018315 k( 520) = ( 0.6083333 -0.1010363 0.4082483), wk = 0.0018315 k( 521) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0018315 k( 522) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0018315 k( 523) = ( 0.5958333 -0.1226869 0.4082483), wk = 0.0018315 k( 524) = ( 0.5916667 -0.1299038 0.4082483), wk = 0.0018315 k( 525) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0018315 k( 526) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0018315 k( 527) = ( 0.5791667 -0.1515545 0.4082483), wk = 0.0018315 k( 528) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0018315 k( 529) = ( 0.5708333 -0.1659882 0.4082483), wk = 0.0018315 k( 530) = ( 0.5666667 -0.1732051 0.4082483), wk = 0.0018315 k( 531) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0018315 k( 532) = ( 0.5583333 -0.1876388 0.4082483), wk = 0.0018315 k( 533) = ( 0.5541667 -0.1948557 0.4082483), wk = 0.0018315 k( 534) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0018315 k( 535) = ( 0.5458333 -0.2092895 0.4082483), wk = 0.0018315 k( 536) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0018315 k( 537) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0018315 k( 538) = ( 0.5333333 -0.2309401 0.4082483), wk = 0.0018315 k( 539) = ( 0.5291667 -0.2381570 0.4082483), wk = 0.0018315 k( 540) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0018315 k( 541) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0018315 k( 542) = ( 0.5166667 -0.2598076 0.4082483), wk = 0.0018315 k( 543) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0018315 k( 544) = ( 0.5083333 -0.2742414 0.4082483), wk = 0.0018315 k( 545) = ( 0.5041667 -0.2814583 0.4082483), wk = 0.0018315 k( 546) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0018315 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018315 k( 2) = ( 0.0060241 -0.0000000 0.0060241), wk = 0.0018315 k( 3) = ( 0.0120482 -0.0000000 0.0120482), wk = 0.0018315 k( 4) = ( 0.0180723 -0.0000000 0.0180723), wk = 0.0018315 k( 5) = ( 0.0240964 -0.0000000 0.0240964), wk = 0.0018315 k( 6) = ( 0.0301205 -0.0000000 0.0301205), wk = 0.0018315 k( 7) = ( 0.0361446 -0.0000000 0.0361446), wk = 0.0018315 k( 8) = ( 0.0421687 -0.0000000 0.0421687), wk = 0.0018315 k( 9) = ( 0.0481928 -0.0000000 0.0481928), wk = 0.0018315 k( 10) = ( 0.0542169 -0.0000000 0.0542169), wk = 0.0018315 k( 11) = ( 0.0602410 -0.0000000 0.0602410), wk = 0.0018315 k( 12) = ( 0.0662651 -0.0000000 0.0662651), wk = 0.0018315 k( 13) = ( 0.0722892 -0.0000000 0.0722892), wk = 0.0018315 k( 14) = ( 0.0783133 -0.0000000 0.0783133), wk = 0.0018315 k( 15) = ( 0.0843374 -0.0000000 0.0843374), wk = 0.0018315 k( 16) = ( 0.0903614 -0.0000000 0.0903614), wk = 0.0018315 k( 17) = ( 0.0963855 -0.0000000 0.0963855), wk = 0.0018315 k( 18) = ( 0.1024096 -0.0000000 0.1024096), wk = 0.0018315 k( 19) = ( 0.1084337 -0.0000000 0.1084337), wk = 0.0018315 k( 20) = ( 0.1144578 -0.0000000 0.1144578), wk = 0.0018315 k( 21) = ( 0.1204819 -0.0000000 0.1204819), wk = 0.0018315 k( 22) = ( 0.1265060 -0.0000000 0.1265060), wk = 0.0018315 k( 23) = ( 0.1325301 -0.0000000 0.1325301), wk = 0.0018315 k( 24) = ( 0.1385542 -0.0000000 0.1385542), wk = 0.0018315 k( 25) = ( 0.1445783 -0.0000000 0.1445783), wk = 0.0018315 k( 26) = ( 0.1506024 0.0000000 0.1506024), wk = 0.0018315 k( 27) = ( 0.1566265 -0.0000000 0.1566265), wk = 0.0018315 k( 28) = ( 0.1626506 0.0000000 0.1626506), wk = 0.0018315 k( 29) = ( 0.1686747 -0.0000000 0.1686747), wk = 0.0018315 k( 30) = ( 0.1746988 -0.0000000 0.1746988), wk = 0.0018315 k( 31) = ( 0.1807229 -0.0000000 0.1807229), wk = 0.0018315 k( 32) = ( 0.1867470 -0.0000000 0.1867470), wk = 0.0018315 k( 33) = ( 0.1927711 -0.0000000 0.1927711), wk = 0.0018315 k( 34) = ( 0.1987952 -0.0000000 0.1987952), wk = 0.0018315 k( 35) = ( 0.2048193 -0.0000000 0.2048193), wk = 0.0018315 k( 36) = ( 0.2108434 -0.0000000 0.2108434), wk = 0.0018315 k( 37) = ( 0.2168675 -0.0000000 0.2168675), wk = 0.0018315 k( 38) = ( 0.2228916 0.0000000 0.2228916), wk = 0.0018315 k( 39) = ( 0.2289157 -0.0000000 0.2289157), wk = 0.0018315 k( 40) = ( 0.2349398 -0.0000000 0.2349398), wk = 0.0018315 k( 41) = ( 0.2409639 -0.0000000 0.2409639), wk = 0.0018315 k( 42) = ( 0.2469880 -0.0000000 0.2469880), wk = 0.0018315 k( 43) = ( 0.2530120 -0.0000000 0.2530120), wk = 0.0018315 k( 44) = ( 0.2590361 -0.0000000 0.2590361), wk = 0.0018315 k( 45) = ( 0.2650602 -0.0000000 0.2650602), wk = 0.0018315 k( 46) = ( 0.2710843 0.0000000 0.2710843), wk = 0.0018315 k( 47) = ( 0.2771084 -0.0000000 0.2771084), wk = 0.0018315 k( 48) = ( 0.2831325 -0.0000000 0.2831325), wk = 0.0018315 k( 49) = ( 0.2891566 -0.0000000 0.2891566), wk = 0.0018315 k( 50) = ( 0.2951807 -0.0000000 0.2951807), wk = 0.0018315 k( 51) = ( 0.3012048 0.0000000 0.3012048), wk = 0.0018315 k( 52) = ( 0.3072289 -0.0000000 0.3072289), wk = 0.0018315 k( 53) = ( 0.3132530 0.0000000 0.3132530), wk = 0.0018315 k( 54) = ( 0.3192771 -0.0000000 0.3192771), wk = 0.0018315 k( 55) = ( 0.3253012 0.0000000 0.3253012), wk = 0.0018315 k( 56) = ( 0.3313253 -0.0000000 0.3313253), wk = 0.0018315 k( 57) = ( 0.3373494 -0.0000000 0.3373494), wk = 0.0018315 k( 58) = ( 0.3433735 -0.0000000 0.3433735), wk = 0.0018315 k( 59) = ( 0.3493976 -0.0000000 0.3493976), wk = 0.0018315 k( 60) = ( 0.3554217 -0.0000000 0.3554217), wk = 0.0018315 k( 61) = ( 0.3614458 -0.0000000 0.3614458), wk = 0.0018315 k( 62) = ( 0.3674699 -0.0000000 0.3674699), wk = 0.0018315 k( 63) = ( 0.3734940 -0.0000000 0.3734940), wk = 0.0018315 k( 64) = ( 0.3795181 -0.0000000 0.3795181), wk = 0.0018315 k( 65) = ( 0.3855422 -0.0000000 0.3855422), wk = 0.0018315 k( 66) = ( 0.3915663 -0.0000000 0.3915663), wk = 0.0018315 k( 67) = ( 0.3975904 -0.0000000 0.3975904), wk = 0.0018315 k( 68) = ( 0.4036145 -0.0000000 0.4036145), wk = 0.0018315 k( 69) = ( 0.4096385 -0.0000000 0.4096385), wk = 0.0018315 k( 70) = ( 0.4156627 -0.0000000 0.4156627), wk = 0.0018315 k( 71) = ( 0.4216867 -0.0000000 0.4216867), wk = 0.0018315 k( 72) = ( 0.4277108 -0.0000000 0.4277108), wk = 0.0018315 k( 73) = ( 0.4337349 -0.0000000 0.4337349), wk = 0.0018315 k( 74) = ( 0.4397590 -0.0000000 0.4397590), wk = 0.0018315 k( 75) = ( 0.4457831 -0.0000000 0.4457831), wk = 0.0018315 k( 76) = ( 0.4518072 -0.0000000 0.4518072), wk = 0.0018315 k( 77) = ( 0.4578313 0.0000000 0.4578313), wk = 0.0018315 k( 78) = ( 0.4638554 -0.0000000 0.4638554), wk = 0.0018315 k( 79) = ( 0.4698795 -0.0000000 0.4698795), wk = 0.0018315 k( 80) = ( 0.4759036 -0.0000000 0.4759036), wk = 0.0018315 k( 81) = ( 0.4819277 0.0000000 0.4819277), wk = 0.0018315 k( 82) = ( 0.4879518 0.0000000 0.4879518), wk = 0.0018315 k( 83) = ( 0.4939759 -0.0000000 0.4939759), wk = 0.0018315 k( 84) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0018315 k( 85) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0018315 k( 86) = ( 0.5000000 0.0059524 0.5059524), wk = 0.0018315 k( 87) = ( 0.5000000 0.0119048 0.5119048), wk = 0.0018315 k( 88) = ( 0.5000000 0.0178571 0.5178571), wk = 0.0018315 k( 89) = ( 0.5000000 0.0238095 0.5238095), wk = 0.0018315 k( 90) = ( 0.5000000 0.0297619 0.5297619), wk = 0.0018315 k( 91) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0018315 k( 92) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0018315 k( 93) = ( 0.5000000 0.0476190 0.5476190), wk = 0.0018315 k( 94) = ( 0.5000000 0.0535714 0.5535714), wk = 0.0018315 k( 95) = ( 0.5000000 0.0595238 0.5595238), wk = 0.0018315 k( 96) = ( 0.5000000 0.0654762 0.5654762), wk = 0.0018315 k( 97) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0018315 k( 98) = ( 0.5000000 0.0773809 0.5773810), wk = 0.0018315 k( 99) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0018315 k( 100) = ( 0.5000000 0.0892857 0.5892857), wk = 0.0018315 k( 101) = ( 0.5000000 0.0952381 0.5952381), wk = 0.0018315 k( 102) = ( 0.5000000 0.1011905 0.6011905), wk = 0.0018315 k( 103) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0018315 k( 104) = ( 0.5000000 0.1130952 0.6130952), wk = 0.0018315 k( 105) = ( 0.5000000 0.1190476 0.6190476), wk = 0.0018315 k( 106) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0018315 k( 107) = ( 0.5000000 0.1309524 0.6309524), wk = 0.0018315 k( 108) = ( 0.5000000 0.1369048 0.6369048), wk = 0.0018315 k( 109) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0018315 k( 110) = ( 0.5000000 0.1488095 0.6488095), wk = 0.0018315 k( 111) = ( 0.5000000 0.1547619 0.6547619), wk = 0.0018315 k( 112) = ( 0.5000000 0.1607143 0.6607143), wk = 0.0018315 k( 113) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0018315 k( 114) = ( 0.5000000 0.1726190 0.6726190), wk = 0.0018315 k( 115) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0018315 k( 116) = ( 0.5000000 0.1845238 0.6845238), wk = 0.0018315 k( 117) = ( 0.5000000 0.1904762 0.6904762), wk = 0.0018315 k( 118) = ( 0.5000000 0.1964286 0.6964286), wk = 0.0018315 k( 119) = ( 0.5000000 0.2023810 0.7023810), wk = 0.0018315 k( 120) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0018315 k( 121) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0018315 k( 122) = ( 0.5000000 0.2202381 0.7202381), wk = 0.0018315 k( 123) = ( 0.5000000 0.2261905 0.7261905), wk = 0.0018315 k( 124) = ( 0.5000000 0.2321429 0.7321429), wk = 0.0018315 k( 125) = ( 0.5000000 0.2380952 0.7380952), wk = 0.0018315 k( 126) = ( 0.5000000 0.2440476 0.7440476), wk = 0.0018315 k( 127) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0018315 k( 128) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0018315 k( 129) = ( 0.4958333 0.2541667 0.7500000), wk = 0.0018315 k( 130) = ( 0.4916667 0.2583333 0.7500000), wk = 0.0018315 k( 131) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0018315 k( 132) = ( 0.4833333 0.2666667 0.7500000), wk = 0.0018315 k( 133) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0018315 k( 134) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0018315 k( 135) = ( 0.4708333 0.2791667 0.7500000), wk = 0.0018315 k( 136) = ( 0.4666667 0.2833333 0.7500000), wk = 0.0018315 k( 137) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0018315 k( 138) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0018315 k( 139) = ( 0.4541667 0.2958333 0.7500000), wk = 0.0018315 k( 140) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0018315 k( 141) = ( 0.4458333 0.3041667 0.7500000), wk = 0.0018315 k( 142) = ( 0.4416667 0.3083333 0.7500000), wk = 0.0018315 k( 143) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0018315 k( 144) = ( 0.4333333 0.3166667 0.7500000), wk = 0.0018315 k( 145) = ( 0.4291667 0.3208333 0.7500000), wk = 0.0018315 k( 146) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0018315 k( 147) = ( 0.4208333 0.3291667 0.7500000), wk = 0.0018315 k( 148) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0018315 k( 149) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0018315 k( 150) = ( 0.4083333 0.3416667 0.7500000), wk = 0.0018315 k( 151) = ( 0.4041667 0.3458333 0.7500000), wk = 0.0018315 k( 152) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0018315 k( 153) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0018315 k( 154) = ( 0.3916667 0.3583333 0.7500000), wk = 0.0018315 k( 155) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0018315 k( 156) = ( 0.3833333 0.3666667 0.7500000), wk = 0.0018315 k( 157) = ( 0.3791667 0.3708333 0.7500000), wk = 0.0018315 k( 158) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0018315 k( 159) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0018315 k( 160) = ( 0.3707386 0.3707386 0.7414773), wk = 0.0018315 k( 161) = ( 0.3664773 0.3664773 0.7329545), wk = 0.0018315 k( 162) = ( 0.3622159 0.3622159 0.7244318), wk = 0.0018315 k( 163) = ( 0.3579545 0.3579545 0.7159091), wk = 0.0018315 k( 164) = ( 0.3536932 0.3536932 0.7073864), wk = 0.0018315 k( 165) = ( 0.3494318 0.3494318 0.6988636), wk = 0.0018315 k( 166) = ( 0.3451705 0.3451705 0.6903409), wk = 0.0018315 k( 167) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0018315 k( 168) = ( 0.3366477 0.3366477 0.6732955), wk = 0.0018315 k( 169) = ( 0.3323864 0.3323864 0.6647727), wk = 0.0018315 k( 170) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0018315 k( 171) = ( 0.3238636 0.3238636 0.6477273), wk = 0.0018315 k( 172) = ( 0.3196023 0.3196023 0.6392045), wk = 0.0018315 k( 173) = ( 0.3153409 0.3153409 0.6306818), wk = 0.0018315 k( 174) = ( 0.3110795 0.3110795 0.6221591), wk = 0.0018315 k( 175) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0018315 k( 176) = ( 0.3025568 0.3025568 0.6051136), wk = 0.0018315 k( 177) = ( 0.2982955 0.2982955 0.5965909), wk = 0.0018315 k( 178) = ( 0.2940341 0.2940341 0.5880682), wk = 0.0018315 k( 179) = ( 0.2897727 0.2897727 0.5795455), wk = 0.0018315 k( 180) = ( 0.2855114 0.2855114 0.5710227), wk = 0.0018315 k( 181) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0018315 k( 182) = ( 0.2769886 0.2769886 0.5539773), wk = 0.0018315 k( 183) = ( 0.2727273 0.2727273 0.5454546), wk = 0.0018315 k( 184) = ( 0.2684659 0.2684659 0.5369318), wk = 0.0018315 k( 185) = ( 0.2642045 0.2642045 0.5284091), wk = 0.0018315 k( 186) = ( 0.2599432 0.2599432 0.5198864), wk = 0.0018315 k( 187) = ( 0.2556818 0.2556818 0.5113636), wk = 0.0018315 k( 188) = ( 0.2514205 0.2514205 0.5028409), wk = 0.0018315 k( 189) = ( 0.2471591 0.2471591 0.4943182), wk = 0.0018315 k( 190) = ( 0.2428977 0.2428977 0.4857955), wk = 0.0018315 k( 191) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0018315 k( 192) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0018315 k( 193) = ( 0.2301136 0.2301136 0.4602273), wk = 0.0018315 k( 194) = ( 0.2258523 0.2258523 0.4517046), wk = 0.0018315 k( 195) = ( 0.2215909 0.2215909 0.4431818), wk = 0.0018315 k( 196) = ( 0.2173296 0.2173296 0.4346591), wk = 0.0018315 k( 197) = ( 0.2130682 0.2130682 0.4261364), wk = 0.0018315 k( 198) = ( 0.2088068 0.2088068 0.4176136), wk = 0.0018315 k( 199) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0018315 k( 200) = ( 0.2002841 0.2002841 0.4005682), wk = 0.0018315 k( 201) = ( 0.1960227 0.1960227 0.3920455), wk = 0.0018315 k( 202) = ( 0.1917614 0.1917614 0.3835227), wk = 0.0018315 k( 203) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0018315 k( 204) = ( 0.1832386 0.1832386 0.3664773), wk = 0.0018315 k( 205) = ( 0.1789773 0.1789773 0.3579545), wk = 0.0018315 k( 206) = ( 0.1747159 0.1747159 0.3494318), wk = 0.0018315 k( 207) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0018315 k( 208) = ( 0.1661932 0.1661932 0.3323864), wk = 0.0018315 k( 209) = ( 0.1619318 0.1619318 0.3238636), wk = 0.0018315 k( 210) = ( 0.1576704 0.1576705 0.3153409), wk = 0.0018315 k( 211) = ( 0.1534091 0.1534091 0.3068182), wk = 0.0018315 k( 212) = ( 0.1491477 0.1491477 0.2982955), wk = 0.0018315 k( 213) = ( 0.1448864 0.1448864 0.2897727), wk = 0.0018315 k( 214) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0018315 k( 215) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0018315 k( 216) = ( 0.1321023 0.1321023 0.2642045), wk = 0.0018315 k( 217) = ( 0.1278409 0.1278409 0.2556818), wk = 0.0018315 k( 218) = ( 0.1235795 0.1235796 0.2471591), wk = 0.0018315 k( 219) = ( 0.1193182 0.1193182 0.2386364), wk = 0.0018315 k( 220) = ( 0.1150568 0.1150568 0.2301136), wk = 0.0018315 k( 221) = ( 0.1107955 0.1107955 0.2215909), wk = 0.0018315 k( 222) = ( 0.1065341 0.1065341 0.2130682), wk = 0.0018315 k( 223) = ( 0.1022727 0.1022727 0.2045455), wk = 0.0018315 k( 224) = ( 0.0980114 0.0980114 0.1960227), wk = 0.0018315 k( 225) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0018315 k( 226) = ( 0.0894886 0.0894886 0.1789773), wk = 0.0018315 k( 227) = ( 0.0852273 0.0852273 0.1704546), wk = 0.0018315 k( 228) = ( 0.0809659 0.0809659 0.1619318), wk = 0.0018315 k( 229) = ( 0.0767045 0.0767046 0.1534091), wk = 0.0018315 k( 230) = ( 0.0724432 0.0724432 0.1448864), wk = 0.0018315 k( 231) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0018315 k( 232) = ( 0.0639205 0.0639205 0.1278409), wk = 0.0018315 k( 233) = ( 0.0596591 0.0596591 0.1193182), wk = 0.0018315 k( 234) = ( 0.0553977 0.0553977 0.1107955), wk = 0.0018315 k( 235) = ( 0.0511364 0.0511364 0.1022727), wk = 0.0018315 k( 236) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0018315 k( 237) = ( 0.0426136 0.0426136 0.0852273), wk = 0.0018315 k( 238) = ( 0.0383523 0.0383523 0.0767045), wk = 0.0018315 k( 239) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0018315 k( 240) = ( 0.0298295 0.0298296 0.0596591), wk = 0.0018315 k( 241) = ( 0.0255682 0.0255682 0.0511364), wk = 0.0018315 k( 242) = ( 0.0213068 0.0213068 0.0426136), wk = 0.0018315 k( 243) = ( 0.0170455 0.0170455 0.0340909), wk = 0.0018315 k( 244) = ( 0.0127841 0.0127841 0.0255682), wk = 0.0018315 k( 245) = ( 0.0085227 0.0085227 0.0170455), wk = 0.0018315 k( 246) = ( 0.0042614 0.0042614 0.0085227), wk = 0.0018315 k( 247) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018315 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018315 k( 249) = ( 0.0069444 0.0069444 0.0069444), wk = 0.0018315 k( 250) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0018315 k( 251) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0018315 k( 252) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0018315 k( 253) = ( 0.0347222 0.0347222 0.0347222), wk = 0.0018315 k( 254) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0018315 k( 255) = ( 0.0486111 0.0486111 0.0486111), wk = 0.0018315 k( 256) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0018315 k( 257) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0018315 k( 258) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0018315 k( 259) = ( 0.0763889 0.0763889 0.0763889), wk = 0.0018315 k( 260) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0018315 k( 261) = ( 0.0902778 0.0902778 0.0902778), wk = 0.0018315 k( 262) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0018315 k( 263) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0018315 k( 264) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0018315 k( 265) = ( 0.1180556 0.1180556 0.1180556), wk = 0.0018315 k( 266) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0018315 k( 267) = ( 0.1319444 0.1319444 0.1319444), wk = 0.0018315 k( 268) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0018315 k( 269) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0018315 k( 270) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0018315 k( 271) = ( 0.1597222 0.1597222 0.1597222), wk = 0.0018315 k( 272) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0018315 k( 273) = ( 0.1736111 0.1736111 0.1736111), wk = 0.0018315 k( 274) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0018315 k( 275) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0018315 k( 276) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0018315 k( 277) = ( 0.2013889 0.2013889 0.2013889), wk = 0.0018315 k( 278) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0018315 k( 279) = ( 0.2152778 0.2152778 0.2152778), wk = 0.0018315 k( 280) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0018315 k( 281) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0018315 k( 282) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0018315 k( 283) = ( 0.2430556 0.2430556 0.2430556), wk = 0.0018315 k( 284) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018315 k( 285) = ( 0.2569444 0.2569444 0.2569444), wk = 0.0018315 k( 286) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0018315 k( 287) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0018315 k( 288) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0018315 k( 289) = ( 0.2847222 0.2847222 0.2847222), wk = 0.0018315 k( 290) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0018315 k( 291) = ( 0.2986111 0.2986111 0.2986111), wk = 0.0018315 k( 292) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0018315 k( 293) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0018315 k( 294) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0018315 k( 295) = ( 0.3263889 0.3263889 0.3263889), wk = 0.0018315 k( 296) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0018315 k( 297) = ( 0.3402778 0.3402778 0.3402778), wk = 0.0018315 k( 298) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0018315 k( 299) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0018315 k( 300) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0018315 k( 301) = ( 0.3680556 0.3680556 0.3680556), wk = 0.0018315 k( 302) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0018315 k( 303) = ( 0.3819444 0.3819444 0.3819444), wk = 0.0018315 k( 304) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0018315 k( 305) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0018315 k( 306) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0018315 k( 307) = ( 0.4097222 0.4097222 0.4097222), wk = 0.0018315 k( 308) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0018315 k( 309) = ( 0.4236111 0.4236111 0.4236111), wk = 0.0018315 k( 310) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0018315 k( 311) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0018315 k( 312) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0018315 k( 313) = ( 0.4513889 0.4513889 0.4513889), wk = 0.0018315 k( 314) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0018315 k( 315) = ( 0.4652778 0.4652778 0.4652778), wk = 0.0018315 k( 316) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0018315 k( 317) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0018315 k( 318) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0018315 k( 319) = ( 0.4930556 0.4930556 0.4930556), wk = 0.0018315 k( 320) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018315 k( 321) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018315 k( 322) = ( 0.5024510 0.4950980 0.5024510), wk = 0.0018315 k( 323) = ( 0.5049020 0.4901961 0.5049020), wk = 0.0018315 k( 324) = ( 0.5073529 0.4852941 0.5073529), wk = 0.0018315 k( 325) = ( 0.5098039 0.4803922 0.5098039), wk = 0.0018315 k( 326) = ( 0.5122549 0.4754902 0.5122549), wk = 0.0018315 k( 327) = ( 0.5147059 0.4705882 0.5147059), wk = 0.0018315 k( 328) = ( 0.5171569 0.4656863 0.5171569), wk = 0.0018315 k( 329) = ( 0.5196078 0.4607843 0.5196078), wk = 0.0018315 k( 330) = ( 0.5220588 0.4558824 0.5220588), wk = 0.0018315 k( 331) = ( 0.5245098 0.4509804 0.5245098), wk = 0.0018315 k( 332) = ( 0.5269608 0.4460784 0.5269608), wk = 0.0018315 k( 333) = ( 0.5294118 0.4411765 0.5294118), wk = 0.0018315 k( 334) = ( 0.5318628 0.4362745 0.5318628), wk = 0.0018315 k( 335) = ( 0.5343137 0.4313726 0.5343137), wk = 0.0018315 k( 336) = ( 0.5367647 0.4264706 0.5367647), wk = 0.0018315 k( 337) = ( 0.5392157 0.4215686 0.5392157), wk = 0.0018315 k( 338) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0018315 k( 339) = ( 0.5441177 0.4117647 0.5441177), wk = 0.0018315 k( 340) = ( 0.5465686 0.4068628 0.5465686), wk = 0.0018315 k( 341) = ( 0.5490196 0.4019608 0.5490196), wk = 0.0018315 k( 342) = ( 0.5514706 0.3970588 0.5514706), wk = 0.0018315 k( 343) = ( 0.5539216 0.3921569 0.5539216), wk = 0.0018315 k( 344) = ( 0.5563725 0.3872549 0.5563725), wk = 0.0018315 k( 345) = ( 0.5588235 0.3823529 0.5588235), wk = 0.0018315 k( 346) = ( 0.5612745 0.3774510 0.5612745), wk = 0.0018315 k( 347) = ( 0.5637255 0.3725490 0.5637255), wk = 0.0018315 k( 348) = ( 0.5661765 0.3676471 0.5661765), wk = 0.0018315 k( 349) = ( 0.5686275 0.3627451 0.5686275), wk = 0.0018315 k( 350) = ( 0.5710784 0.3578431 0.5710784), wk = 0.0018315 k( 351) = ( 0.5735294 0.3529412 0.5735294), wk = 0.0018315 k( 352) = ( 0.5759804 0.3480392 0.5759804), wk = 0.0018315 k( 353) = ( 0.5784314 0.3431373 0.5784314), wk = 0.0018315 k( 354) = ( 0.5808823 0.3382353 0.5808823), wk = 0.0018315 k( 355) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0018315 k( 356) = ( 0.5857843 0.3284314 0.5857843), wk = 0.0018315 k( 357) = ( 0.5882353 0.3235294 0.5882353), wk = 0.0018315 k( 358) = ( 0.5906863 0.3186274 0.5906863), wk = 0.0018315 k( 359) = ( 0.5931372 0.3137255 0.5931373), wk = 0.0018315 k( 360) = ( 0.5955882 0.3088235 0.5955882), wk = 0.0018315 k( 361) = ( 0.5980392 0.3039216 0.5980392), wk = 0.0018315 k( 362) = ( 0.6004902 0.2990196 0.6004902), wk = 0.0018315 k( 363) = ( 0.6029412 0.2941177 0.6029412), wk = 0.0018315 k( 364) = ( 0.6053922 0.2892157 0.6053922), wk = 0.0018315 k( 365) = ( 0.6078431 0.2843137 0.6078431), wk = 0.0018315 k( 366) = ( 0.6102941 0.2794118 0.6102941), wk = 0.0018315 k( 367) = ( 0.6127451 0.2745098 0.6127451), wk = 0.0018315 k( 368) = ( 0.6151961 0.2696078 0.6151961), wk = 0.0018315 k( 369) = ( 0.6176471 0.2647059 0.6176471), wk = 0.0018315 k( 370) = ( 0.6200980 0.2598039 0.6200980), wk = 0.0018315 k( 371) = ( 0.6225490 0.2549020 0.6225490), wk = 0.0018315 k( 372) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0018315 k( 373) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0018315 k( 374) = ( 0.6208333 0.2500000 0.6291667), wk = 0.0018315 k( 375) = ( 0.6166667 0.2500000 0.6333333), wk = 0.0018315 k( 376) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0018315 k( 377) = ( 0.6083333 0.2500000 0.6416667), wk = 0.0018315 k( 378) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0018315 k( 379) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0018315 k( 380) = ( 0.5958333 0.2500000 0.6541667), wk = 0.0018315 k( 381) = ( 0.5916667 0.2500000 0.6583333), wk = 0.0018315 k( 382) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0018315 k( 383) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0018315 k( 384) = ( 0.5791667 0.2500000 0.6708333), wk = 0.0018315 k( 385) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0018315 k( 386) = ( 0.5708333 0.2500000 0.6791667), wk = 0.0018315 k( 387) = ( 0.5666667 0.2500000 0.6833333), wk = 0.0018315 k( 388) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0018315 k( 389) = ( 0.5583333 0.2500000 0.6916667), wk = 0.0018315 k( 390) = ( 0.5541667 0.2500000 0.6958333), wk = 0.0018315 k( 391) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0018315 k( 392) = ( 0.5458333 0.2500000 0.7041667), wk = 0.0018315 k( 393) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0018315 k( 394) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0018315 k( 395) = ( 0.5333333 0.2500000 0.7166667), wk = 0.0018315 k( 396) = ( 0.5291667 0.2500000 0.7208333), wk = 0.0018315 k( 397) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0018315 k( 398) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0018315 k( 399) = ( 0.5166667 0.2500000 0.7333333), wk = 0.0018315 k( 400) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0018315 k( 401) = ( 0.5083333 0.2500000 0.7416667), wk = 0.0018315 k( 402) = ( 0.5041667 0.2500000 0.7458333), wk = 0.0018315 k( 403) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0018315 k( 404) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0018315 k( 405) = ( 0.5000000 0.2542373 0.7457627), wk = 0.0018315 k( 406) = ( 0.5000000 0.2584746 0.7415254), wk = 0.0018315 k( 407) = ( 0.5000000 0.2627119 0.7372881), wk = 0.0018315 k( 408) = ( 0.5000000 0.2669492 0.7330509), wk = 0.0018315 k( 409) = ( 0.5000000 0.2711864 0.7288136), wk = 0.0018315 k( 410) = ( 0.5000000 0.2754237 0.7245763), wk = 0.0018315 k( 411) = ( 0.5000000 0.2796610 0.7203390), wk = 0.0018315 k( 412) = ( 0.5000000 0.2838983 0.7161017), wk = 0.0018315 k( 413) = ( 0.5000000 0.2881356 0.7118644), wk = 0.0018315 k( 414) = ( 0.5000000 0.2923729 0.7076271), wk = 0.0018315 k( 415) = ( 0.5000000 0.2966102 0.7033898), wk = 0.0018315 k( 416) = ( 0.5000000 0.3008475 0.6991525), wk = 0.0018315 k( 417) = ( 0.5000000 0.3050848 0.6949152), wk = 0.0018315 k( 418) = ( 0.5000000 0.3093220 0.6906780), wk = 0.0018315 k( 419) = ( 0.5000000 0.3135593 0.6864407), wk = 0.0018315 k( 420) = ( 0.5000000 0.3177966 0.6822034), wk = 0.0018315 k( 421) = ( 0.5000000 0.3220339 0.6779661), wk = 0.0018315 k( 422) = ( 0.5000000 0.3262712 0.6737288), wk = 0.0018315 k( 423) = ( 0.5000000 0.3305085 0.6694915), wk = 0.0018315 k( 424) = ( 0.5000000 0.3347458 0.6652542), wk = 0.0018315 k( 425) = ( 0.5000000 0.3389831 0.6610170), wk = 0.0018315 k( 426) = ( 0.5000000 0.3432203 0.6567797), wk = 0.0018315 k( 427) = ( 0.5000000 0.3474576 0.6525424), wk = 0.0018315 k( 428) = ( 0.5000000 0.3516949 0.6483051), wk = 0.0018315 k( 429) = ( 0.5000000 0.3559322 0.6440678), wk = 0.0018315 k( 430) = ( 0.5000000 0.3601695 0.6398305), wk = 0.0018315 k( 431) = ( 0.5000000 0.3644068 0.6355932), wk = 0.0018315 k( 432) = ( 0.5000000 0.3686441 0.6313559), wk = 0.0018315 k( 433) = ( 0.5000000 0.3728814 0.6271186), wk = 0.0018315 k( 434) = ( 0.5000000 0.3771186 0.6228814), wk = 0.0018315 k( 435) = ( 0.5000000 0.3813559 0.6186441), wk = 0.0018315 k( 436) = ( 0.5000000 0.3855932 0.6144068), wk = 0.0018315 k( 437) = ( 0.5000000 0.3898305 0.6101695), wk = 0.0018315 k( 438) = ( 0.5000000 0.3940678 0.6059322), wk = 0.0018315 k( 439) = ( 0.5000000 0.3983051 0.6016949), wk = 0.0018315 k( 440) = ( 0.5000000 0.4025424 0.5974576), wk = 0.0018315 k( 441) = ( 0.5000000 0.4067797 0.5932203), wk = 0.0018315 k( 442) = ( 0.5000000 0.4110170 0.5889830), wk = 0.0018315 k( 443) = ( 0.5000000 0.4152542 0.5847458), wk = 0.0018315 k( 444) = ( 0.5000000 0.4194915 0.5805085), wk = 0.0018315 k( 445) = ( 0.5000000 0.4237288 0.5762712), wk = 0.0018315 k( 446) = ( 0.5000000 0.4279661 0.5720339), wk = 0.0018315 k( 447) = ( 0.5000000 0.4322034 0.5677966), wk = 0.0018315 k( 448) = ( 0.5000000 0.4364407 0.5635593), wk = 0.0018315 k( 449) = ( 0.5000000 0.4406780 0.5593220), wk = 0.0018315 k( 450) = ( 0.5000000 0.4449152 0.5550848), wk = 0.0018315 k( 451) = ( 0.5000000 0.4491525 0.5508475), wk = 0.0018315 k( 452) = ( 0.5000000 0.4533898 0.5466102), wk = 0.0018315 k( 453) = ( 0.5000000 0.4576271 0.5423729), wk = 0.0018315 k( 454) = ( 0.5000000 0.4618644 0.5381356), wk = 0.0018315 k( 455) = ( 0.5000000 0.4661017 0.5338983), wk = 0.0018315 k( 456) = ( 0.5000000 0.4703390 0.5296610), wk = 0.0018315 k( 457) = ( 0.5000000 0.4745763 0.5254237), wk = 0.0018315 k( 458) = ( 0.5000000 0.4788136 0.5211864), wk = 0.0018315 k( 459) = ( 0.5000000 0.4830509 0.5169492), wk = 0.0018315 k( 460) = ( 0.5000000 0.4872881 0.5127119), wk = 0.0018315 k( 461) = ( 0.5000000 0.4915254 0.5084746), wk = 0.0018315 k( 462) = ( 0.5000000 0.4957627 0.5042373), wk = 0.0018315 k( 463) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018315 k( 464) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018315 k( 465) = ( 0.4975490 0.4975490 0.5049020), wk = 0.0018315 k( 466) = ( 0.4950980 0.4950980 0.5098039), wk = 0.0018315 k( 467) = ( 0.4926471 0.4926471 0.5147059), wk = 0.0018315 k( 468) = ( 0.4901961 0.4901961 0.5196078), wk = 0.0018315 k( 469) = ( 0.4877451 0.4877451 0.5245098), wk = 0.0018315 k( 470) = ( 0.4852941 0.4852941 0.5294118), wk = 0.0018315 k( 471) = ( 0.4828431 0.4828431 0.5343137), wk = 0.0018315 k( 472) = ( 0.4803922 0.4803922 0.5392157), wk = 0.0018315 k( 473) = ( 0.4779412 0.4779412 0.5441177), wk = 0.0018315 k( 474) = ( 0.4754902 0.4754902 0.5490196), wk = 0.0018315 k( 475) = ( 0.4730392 0.4730392 0.5539216), wk = 0.0018315 k( 476) = ( 0.4705882 0.4705882 0.5588235), wk = 0.0018315 k( 477) = ( 0.4681373 0.4681373 0.5637255), wk = 0.0018315 k( 478) = ( 0.4656863 0.4656863 0.5686275), wk = 0.0018315 k( 479) = ( 0.4632353 0.4632353 0.5735294), wk = 0.0018315 k( 480) = ( 0.4607843 0.4607843 0.5784314), wk = 0.0018315 k( 481) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0018315 k( 482) = ( 0.4558823 0.4558824 0.5882353), wk = 0.0018315 k( 483) = ( 0.4534314 0.4534314 0.5931373), wk = 0.0018315 k( 484) = ( 0.4509804 0.4509804 0.5980392), wk = 0.0018315 k( 485) = ( 0.4485294 0.4485294 0.6029412), wk = 0.0018315 k( 486) = ( 0.4460784 0.4460784 0.6078431), wk = 0.0018315 k( 487) = ( 0.4436274 0.4436274 0.6127451), wk = 0.0018315 k( 488) = ( 0.4411765 0.4411765 0.6176471), wk = 0.0018315 k( 489) = ( 0.4387255 0.4387255 0.6225490), wk = 0.0018315 k( 490) = ( 0.4362745 0.4362745 0.6274510), wk = 0.0018315 k( 491) = ( 0.4338235 0.4338235 0.6323529), wk = 0.0018315 k( 492) = ( 0.4313726 0.4313726 0.6372549), wk = 0.0018315 k( 493) = ( 0.4289216 0.4289216 0.6421569), wk = 0.0018315 k( 494) = ( 0.4264706 0.4264706 0.6470588), wk = 0.0018315 k( 495) = ( 0.4240196 0.4240196 0.6519608), wk = 0.0018315 k( 496) = ( 0.4215686 0.4215686 0.6568628), wk = 0.0018315 k( 497) = ( 0.4191177 0.4191177 0.6617647), wk = 0.0018315 k( 498) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0018315 k( 499) = ( 0.4142157 0.4142157 0.6715686), wk = 0.0018315 k( 500) = ( 0.4117647 0.4117647 0.6764706), wk = 0.0018315 k( 501) = ( 0.4093137 0.4093137 0.6813725), wk = 0.0018315 k( 502) = ( 0.4068627 0.4068628 0.6862745), wk = 0.0018315 k( 503) = ( 0.4044118 0.4044118 0.6911765), wk = 0.0018315 k( 504) = ( 0.4019608 0.4019608 0.6960784), wk = 0.0018315 k( 505) = ( 0.3995098 0.3995098 0.7009804), wk = 0.0018315 k( 506) = ( 0.3970588 0.3970588 0.7058823), wk = 0.0018315 k( 507) = ( 0.3946078 0.3946078 0.7107843), wk = 0.0018315 k( 508) = ( 0.3921569 0.3921569 0.7156863), wk = 0.0018315 k( 509) = ( 0.3897059 0.3897059 0.7205882), wk = 0.0018315 k( 510) = ( 0.3872549 0.3872549 0.7254902), wk = 0.0018315 k( 511) = ( 0.3848039 0.3848039 0.7303922), wk = 0.0018315 k( 512) = ( 0.3823529 0.3823529 0.7352941), wk = 0.0018315 k( 513) = ( 0.3799020 0.3799020 0.7401961), wk = 0.0018315 k( 514) = ( 0.3774510 0.3774510 0.7450980), wk = 0.0018315 k( 515) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0018315 k( 516) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0018315 k( 517) = ( 0.6208333 0.2416667 0.6208333), wk = 0.0018315 k( 518) = ( 0.6166667 0.2333333 0.6166667), wk = 0.0018315 k( 519) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0018315 k( 520) = ( 0.6083333 0.2166667 0.6083333), wk = 0.0018315 k( 521) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0018315 k( 522) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0018315 k( 523) = ( 0.5958333 0.1916667 0.5958333), wk = 0.0018315 k( 524) = ( 0.5916667 0.1833333 0.5916667), wk = 0.0018315 k( 525) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0018315 k( 526) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0018315 k( 527) = ( 0.5791667 0.1583333 0.5791667), wk = 0.0018315 k( 528) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0018315 k( 529) = ( 0.5708333 0.1416667 0.5708333), wk = 0.0018315 k( 530) = ( 0.5666667 0.1333333 0.5666667), wk = 0.0018315 k( 531) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0018315 k( 532) = ( 0.5583333 0.1166667 0.5583333), wk = 0.0018315 k( 533) = ( 0.5541667 0.1083333 0.5541667), wk = 0.0018315 k( 534) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0018315 k( 535) = ( 0.5458333 0.0916667 0.5458333), wk = 0.0018315 k( 536) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0018315 k( 537) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0018315 k( 538) = ( 0.5333333 0.0666667 0.5333333), wk = 0.0018315 k( 539) = ( 0.5291667 0.0583333 0.5291667), wk = 0.0018315 k( 540) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0018315 k( 541) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0018315 k( 542) = ( 0.5166667 0.0333333 0.5166667), wk = 0.0018315 k( 543) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0018315 k( 544) = ( 0.5083333 0.0166667 0.5083333), wk = 0.0018315 k( 545) = ( 0.5041667 0.0083333 0.5041667), wk = 0.0018315 k( 546) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0018315 Dense grid: 39957 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 9185 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 66, 18) NL pseudopotentials 0.01 Mb ( 33, 28) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1112) G-vector shells 0.00 Mb ( 328) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 66, 72) Each subspace H/S matrix 0.00 Mb ( 18, 18) Each matrix 0.02 Mb ( 28, 2, 18) The potential is recalculated from file : ./BeO.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.6 secs Computing kpt #: 3 total cpu time spent up to now is 1.6 secs Computing kpt #: 4 total cpu time spent up to now is 1.7 secs Computing kpt #: 5 total cpu time spent up to now is 1.7 secs Computing kpt #: 6 total cpu time spent up to now is 1.8 secs Computing kpt #: 7 total cpu time spent up to now is 1.8 secs Computing kpt #: 8 total cpu time spent up to now is 1.9 secs Computing kpt #: 9 total cpu time spent up to now is 1.9 secs Computing kpt #: 10 total cpu time spent up to now is 2.0 secs Computing kpt #: 11 total cpu time spent up to now is 2.0 secs Computing kpt #: 12 total cpu time spent up to now is 2.1 secs Computing kpt #: 13 total cpu time spent up to now is 2.1 secs Computing kpt #: 14 total cpu time spent up to now is 2.2 secs Computing kpt #: 15 total cpu time spent up to now is 2.2 secs Computing kpt #: 16 total cpu time spent up to now is 2.3 secs Computing kpt #: 17 total cpu time spent up to now is 2.3 secs Computing kpt #: 18 total cpu time spent up to now is 2.4 secs Computing kpt #: 19 total cpu time spent up to now is 2.4 secs Computing kpt #: 20 total cpu time spent up to now is 2.5 secs Computing kpt #: 21 total cpu time spent up to now is 2.5 secs Computing kpt #: 22 total cpu time spent up to now is 2.5 secs Computing kpt #: 23 total cpu time spent up to now is 2.6 secs Computing kpt #: 24 total cpu time spent up to now is 2.6 secs Computing kpt #: 25 total cpu time spent up to now is 2.7 secs Computing kpt #: 26 total cpu time spent up to now is 2.7 secs Computing kpt #: 27 total cpu time spent up to now is 2.8 secs Computing kpt #: 28 total cpu time spent up to now is 2.8 secs Computing kpt #: 29 total cpu time spent up to now is 2.9 secs Computing kpt #: 30 total cpu time spent up to now is 2.9 secs Computing kpt #: 31 total cpu time spent up to now is 3.0 secs Computing kpt #: 32 total cpu time spent up to now is 3.0 secs Computing kpt #: 33 total cpu time spent up to now is 3.1 secs Computing kpt #: 34 total cpu time spent up to now is 3.1 secs Computing kpt #: 35 total cpu time spent up to now is 3.2 secs Computing kpt #: 36 total cpu time spent up to now is 3.3 secs Computing kpt #: 37 total cpu time spent up to now is 3.3 secs Computing kpt #: 38 total cpu time spent up to now is 3.4 secs Computing kpt #: 39 total cpu time spent up to now is 3.4 secs Computing kpt #: 40 total cpu time spent up to now is 3.5 secs Computing kpt #: 41 total cpu time spent up to now is 3.6 secs Computing kpt #: 42 total cpu time spent up to now is 3.6 secs Computing kpt #: 43 total cpu time spent up to now is 3.7 secs Computing kpt #: 44 total cpu time spent up to now is 3.7 secs Computing kpt #: 45 total cpu time spent up to now is 3.8 secs Computing kpt #: 46 total cpu time spent up to now is 3.9 secs Computing kpt #: 47 total cpu time spent up to now is 3.9 secs Computing kpt #: 48 total cpu time spent up to now is 4.0 secs Computing kpt #: 49 total cpu time spent up to now is 4.0 secs Computing kpt #: 50 total cpu time spent up to now is 4.1 secs Computing kpt #: 51 total cpu time spent up to now is 4.2 secs Computing kpt #: 52 total cpu time spent up to now is 4.2 secs Computing kpt #: 53 total cpu time spent up to now is 4.3 secs Computing kpt #: 54 total cpu time spent up to now is 4.3 secs Computing kpt #: 55 total cpu time spent up to now is 4.4 secs Computing kpt #: 56 total cpu time spent up to now is 4.4 secs Computing kpt #: 57 total cpu time spent up to now is 4.5 secs Computing kpt #: 58 total cpu time spent up to now is 4.6 secs Computing kpt #: 59 total cpu time spent up to now is 4.6 secs Computing kpt #: 60 total cpu time spent up to now is 4.7 secs Computing kpt #: 61 total cpu time spent up to now is 4.7 secs Computing kpt #: 62 total cpu time spent up to now is 4.8 secs Computing kpt #: 63 total cpu time spent up to now is 4.9 secs Computing kpt #: 64 total cpu time spent up to now is 5.0 secs Computing kpt #: 65 total cpu time spent up to now is 5.0 secs Computing kpt #: 66 total cpu time spent up to now is 5.1 secs Computing kpt #: 67 total cpu time spent up to now is 5.2 secs Computing kpt #: 68 total cpu time spent up to now is 5.2 secs Computing kpt #: 69 total cpu time spent up to now is 5.3 secs Computing kpt #: 70 total cpu time spent up to now is 5.3 secs Computing kpt #: 71 total cpu time spent up to now is 5.4 secs Computing kpt #: 72 total cpu time spent up to now is 5.5 secs Computing kpt #: 73 total cpu time spent up to now is 5.5 secs Computing kpt #: 74 total cpu time spent up to now is 5.6 secs Computing kpt #: 75 total cpu time spent up to now is 5.6 secs Computing kpt #: 76 total cpu time spent up to now is 5.7 secs Computing kpt #: 77 total cpu time spent up to now is 5.7 secs Computing kpt #: 78 total cpu time spent up to now is 5.8 secs Computing kpt #: 79 total cpu time spent up to now is 5.9 secs Computing kpt #: 80 total cpu time spent up to now is 5.9 secs Computing kpt #: 81 total cpu time spent up to now is 6.0 secs Computing kpt #: 82 total cpu time spent up to now is 6.0 secs Computing kpt #: 83 total cpu time spent up to now is 6.1 secs Computing kpt #: 84 total cpu time spent up to now is 6.1 secs Computing kpt #: 85 total cpu time spent up to now is 6.2 secs Computing kpt #: 86 total cpu time spent up to now is 6.3 secs Computing kpt #: 87 total cpu time spent up to now is 6.3 secs Computing kpt #: 88 total cpu time spent up to now is 6.4 secs Computing kpt #: 89 total cpu time spent up to now is 6.4 secs Computing kpt #: 90 total cpu time spent up to now is 6.5 secs Computing kpt #: 91 total cpu time spent up to now is 6.6 secs Computing kpt #: 92 total cpu time spent up to now is 6.6 secs Computing kpt #: 93 total cpu time spent up to now is 6.7 secs Computing kpt #: 94 total cpu time spent up to now is 6.7 secs Computing kpt #: 95 total cpu time spent up to now is 6.8 secs Computing kpt #: 96 total cpu time spent up to now is 6.8 secs Computing kpt #: 97 total cpu time spent up to now is 6.9 secs Computing kpt #: 98 total cpu time spent up to now is 6.9 secs Computing kpt #: 99 total cpu time spent up to now is 7.0 secs Computing kpt #: 100 total cpu time spent up to now is 7.0 secs Computing kpt #: 101 total cpu time spent up to now is 7.1 secs Computing kpt #: 102 total cpu time spent up to now is 7.1 secs Computing kpt #: 103 total cpu time spent up to now is 7.2 secs Computing kpt #: 104 total cpu time spent up to now is 7.2 secs Computing kpt #: 105 total cpu time spent up to now is 7.3 secs Computing kpt #: 106 total cpu time spent up to now is 7.3 secs Computing kpt #: 107 total cpu time spent up to now is 7.4 secs Computing kpt #: 108 total cpu time spent up to now is 7.4 secs Computing kpt #: 109 total cpu time spent up to now is 7.5 secs Computing kpt #: 110 total cpu time spent up to now is 7.5 secs Computing kpt #: 111 total cpu time spent up to now is 7.6 secs Computing kpt #: 112 total cpu time spent up to now is 7.6 secs Computing kpt #: 113 total cpu time spent up to now is 7.7 secs Computing kpt #: 114 total cpu time spent up to now is 7.7 secs Computing kpt #: 115 total cpu time spent up to now is 7.8 secs Computing kpt #: 116 total cpu time spent up to now is 7.8 secs Computing kpt #: 117 total cpu time spent up to now is 7.9 secs Computing kpt #: 118 total cpu time spent up to now is 7.9 secs Computing kpt #: 119 total cpu time spent up to now is 7.9 secs Computing kpt #: 120 total cpu time spent up to now is 8.0 secs Computing kpt #: 121 total cpu time spent up to now is 8.0 secs Computing kpt #: 122 total cpu time spent up to now is 8.1 secs Computing kpt #: 123 total cpu time spent up to now is 8.1 secs Computing kpt #: 124 total cpu time spent up to now is 8.2 secs Computing kpt #: 125 total cpu time spent up to now is 8.2 secs Computing kpt #: 126 total cpu time spent up to now is 8.3 secs Computing kpt #: 127 total cpu time spent up to now is 8.3 secs Computing kpt #: 128 total cpu time spent up to now is 8.4 secs Computing kpt #: 129 total cpu time spent up to now is 8.4 secs Computing kpt #: 130 total cpu time spent up to now is 8.5 secs Computing kpt #: 131 total cpu time spent up to now is 8.5 secs Computing kpt #: 132 total cpu time spent up to now is 8.5 secs Computing kpt #: 133 total cpu time spent up to now is 8.6 secs Computing kpt #: 134 total cpu time spent up to now is 8.6 secs Computing kpt #: 135 total cpu time spent up to now is 8.7 secs Computing kpt #: 136 total cpu time spent up to now is 8.7 secs Computing kpt #: 137 total cpu time spent up to now is 8.8 secs Computing kpt #: 138 total cpu time spent up to now is 8.8 secs Computing kpt #: 139 total cpu time spent up to now is 8.9 secs Computing kpt #: 140 total cpu time spent up to now is 8.9 secs Computing kpt #: 141 total cpu time spent up to now is 9.0 secs Computing kpt #: 142 total cpu time spent up to now is 9.0 secs Computing kpt #: 143 total cpu time spent up to now is 9.1 secs Computing kpt #: 144 total cpu time spent up to now is 9.1 secs Computing kpt #: 145 total cpu time spent up to now is 9.2 secs Computing kpt #: 146 total cpu time spent up to now is 9.2 secs Computing kpt #: 147 total cpu time spent up to now is 9.3 secs Computing kpt #: 148 total cpu time spent up to now is 9.3 secs Computing kpt #: 149 total cpu time spent up to now is 9.3 secs Computing kpt #: 150 total cpu time spent up to now is 9.4 secs Computing kpt #: 151 total cpu time spent up to now is 9.4 secs Computing kpt #: 152 total cpu time spent up to now is 9.5 secs Computing kpt #: 153 total cpu time spent up to now is 9.5 secs Computing kpt #: 154 total cpu time spent up to now is 9.6 secs Computing kpt #: 155 total cpu time spent up to now is 9.6 secs Computing kpt #: 156 total cpu time spent up to now is 9.7 secs Computing kpt #: 157 total cpu time spent up to now is 9.7 secs Computing kpt #: 158 total cpu time spent up to now is 9.8 secs Computing kpt #: 159 total cpu time spent up to now is 9.8 secs Computing kpt #: 160 total cpu time spent up to now is 9.9 secs Computing kpt #: 161 total cpu time spent up to now is 9.9 secs Computing kpt #: 162 total cpu time spent up to now is 9.9 secs Computing kpt #: 163 total cpu time spent up to now is 10.0 secs Computing kpt #: 164 total cpu time spent up to now is 10.0 secs Computing kpt #: 165 total cpu time spent up to now is 10.1 secs Computing kpt #: 166 total cpu time spent up to now is 10.1 secs Computing kpt #: 167 total cpu time spent up to now is 10.2 secs Computing kpt #: 168 total cpu time spent up to now is 10.2 secs Computing kpt #: 169 total cpu time spent up to now is 10.2 secs Computing kpt #: 170 total cpu time spent up to now is 10.3 secs Computing kpt #: 171 total cpu time spent up to now is 10.3 secs Computing kpt #: 172 total cpu time spent up to now is 10.4 secs Computing kpt #: 173 total cpu time spent up to now is 10.4 secs Computing kpt #: 174 total cpu time spent up to now is 10.5 secs Computing kpt #: 175 total cpu time spent up to now is 10.5 secs Computing kpt #: 176 total cpu time spent up to now is 10.6 secs Computing kpt #: 177 total cpu time spent up to now is 10.6 secs Computing kpt #: 178 total cpu time spent up to now is 10.6 secs Computing kpt #: 179 total cpu time spent up to now is 10.7 secs Computing kpt #: 180 total cpu time spent up to now is 10.7 secs Computing kpt #: 181 total cpu time spent up to now is 10.8 secs Computing kpt #: 182 total cpu time spent up to now is 10.8 secs Computing kpt #: 183 total cpu time spent up to now is 10.9 secs Computing kpt #: 184 total cpu time spent up to now is 10.9 secs Computing kpt #: 185 total cpu time spent up to now is 11.0 secs Computing kpt #: 186 total cpu time spent up to now is 11.0 secs Computing kpt #: 187 total cpu time spent up to now is 11.1 secs Computing kpt #: 188 total cpu time spent up to now is 11.1 secs Computing kpt #: 189 total cpu time spent up to now is 11.1 secs Computing kpt #: 190 total cpu time spent up to now is 11.2 secs Computing kpt #: 191 total cpu time spent up to now is 11.2 secs Computing kpt #: 192 total cpu time spent up to now is 11.3 secs Computing kpt #: 193 total cpu time spent up to now is 11.3 secs Computing kpt #: 194 total cpu time spent up to now is 11.4 secs Computing kpt #: 195 total cpu time spent up to now is 11.4 secs Computing kpt #: 196 total cpu time spent up to now is 11.5 secs Computing kpt #: 197 total cpu time spent up to now is 11.5 secs Computing kpt #: 198 total cpu time spent up to now is 11.5 secs Computing kpt #: 199 total cpu time spent up to now is 11.6 secs Computing kpt #: 200 total cpu time spent up to now is 11.6 secs Computing kpt #: 201 total cpu time spent up to now is 11.7 secs Computing kpt #: 202 total cpu time spent up to now is 11.7 secs Computing kpt #: 203 total cpu time spent up to now is 11.8 secs Computing kpt #: 204 total cpu time spent up to now is 11.8 secs Computing kpt #: 205 total cpu time spent up to now is 11.8 secs Computing kpt #: 206 total cpu time spent up to now is 11.9 secs Computing kpt #: 207 total cpu time spent up to now is 11.9 secs Computing kpt #: 208 total cpu time spent up to now is 12.0 secs Computing kpt #: 209 total cpu time spent up to now is 12.0 secs Computing kpt #: 210 total cpu time spent up to now is 12.0 secs Computing kpt #: 211 total cpu time spent up to now is 12.1 secs Computing kpt #: 212 total cpu time spent up to now is 12.1 secs Computing kpt #: 213 total cpu time spent up to now is 12.2 secs Computing kpt #: 214 total cpu time spent up to now is 12.2 secs Computing kpt #: 215 total cpu time spent up to now is 12.3 secs Computing kpt #: 216 total cpu time spent up to now is 12.3 secs Computing kpt #: 217 total cpu time spent up to now is 12.4 secs Computing kpt #: 218 total cpu time spent up to now is 12.4 secs Computing kpt #: 219 total cpu time spent up to now is 12.4 secs Computing kpt #: 220 total cpu time spent up to now is 12.5 secs Computing kpt #: 221 total cpu time spent up to now is 12.5 secs Computing kpt #: 222 total cpu time spent up to now is 12.6 secs Computing kpt #: 223 total cpu time spent up to now is 12.6 secs Computing kpt #: 224 total cpu time spent up to now is 12.7 secs Computing kpt #: 225 total cpu time spent up to now is 12.7 secs Computing kpt #: 226 total cpu time spent up to now is 12.8 secs Computing kpt #: 227 total cpu time spent up to now is 12.8 secs Computing kpt #: 228 total cpu time spent up to now is 12.9 secs Computing kpt #: 229 total cpu time spent up to now is 12.9 secs Computing kpt #: 230 total cpu time spent up to now is 13.0 secs Computing kpt #: 231 total cpu time spent up to now is 13.0 secs Computing kpt #: 232 total cpu time spent up to now is 13.1 secs Computing kpt #: 233 total cpu time spent up to now is 13.1 secs Computing kpt #: 234 total cpu time spent up to now is 13.2 secs Computing kpt #: 235 total cpu time spent up to now is 13.2 secs Computing kpt #: 236 total cpu time spent up to now is 13.3 secs Computing kpt #: 237 total cpu time spent up to now is 13.3 secs Computing kpt #: 238 total cpu time spent up to now is 13.4 secs Computing kpt #: 239 total cpu time spent up to now is 13.4 secs Computing kpt #: 240 total cpu time spent up to now is 13.5 secs Computing kpt #: 241 total cpu time spent up to now is 13.5 secs Computing kpt #: 242 total cpu time spent up to now is 13.6 secs Computing kpt #: 243 total cpu time spent up to now is 13.6 secs Computing kpt #: 244 total cpu time spent up to now is 13.7 secs Computing kpt #: 245 total cpu time spent up to now is 13.7 secs Computing kpt #: 246 total cpu time spent up to now is 13.8 secs Computing kpt #: 247 total cpu time spent up to now is 13.8 secs Computing kpt #: 248 total cpu time spent up to now is 13.9 secs Computing kpt #: 249 total cpu time spent up to now is 13.9 secs Computing kpt #: 250 total cpu time spent up to now is 13.9 secs Computing kpt #: 251 total cpu time spent up to now is 14.0 secs Computing kpt #: 252 total cpu time spent up to now is 14.0 secs Computing kpt #: 253 total cpu time spent up to now is 14.1 secs Computing kpt #: 254 total cpu time spent up to now is 14.1 secs Computing kpt #: 255 total cpu time spent up to now is 14.2 secs Computing kpt #: 256 total cpu time spent up to now is 14.2 secs Computing kpt #: 257 total cpu time spent up to now is 14.3 secs Computing kpt #: 258 total cpu time spent up to now is 14.3 secs Computing kpt #: 259 total cpu time spent up to now is 14.4 secs Computing kpt #: 260 total cpu time spent up to now is 14.4 secs Computing kpt #: 261 total cpu time spent up to now is 14.5 secs Computing kpt #: 262 total cpu time spent up to now is 14.5 secs Computing kpt #: 263 total cpu time spent up to now is 14.6 secs Computing kpt #: 264 total cpu time spent up to now is 14.6 secs Computing kpt #: 265 total cpu time spent up to now is 14.7 secs Computing kpt #: 266 total cpu time spent up to now is 14.8 secs Computing kpt #: 267 total cpu time spent up to now is 14.8 secs Computing kpt #: 268 total cpu time spent up to now is 14.9 secs Computing kpt #: 269 total cpu time spent up to now is 14.9 secs Computing kpt #: 270 total cpu time spent up to now is 15.0 secs Computing kpt #: 271 total cpu time spent up to now is 15.1 secs Computing kpt #: 272 total cpu time spent up to now is 15.1 secs Computing kpt #: 273 total cpu time spent up to now is 15.2 secs Computing kpt #: 274 total cpu time spent up to now is 15.2 secs Computing kpt #: 275 total cpu time spent up to now is 15.3 secs Computing kpt #: 276 total cpu time spent up to now is 15.3 secs Computing kpt #: 277 total cpu time spent up to now is 15.4 secs Computing kpt #: 278 total cpu time spent up to now is 15.5 secs Computing kpt #: 279 total cpu time spent up to now is 15.5 secs Computing kpt #: 280 total cpu time spent up to now is 15.5 secs Computing kpt #: 281 total cpu time spent up to now is 15.6 secs Computing kpt #: 282 total cpu time spent up to now is 15.6 secs Computing kpt #: 283 total cpu time spent up to now is 15.7 secs Computing kpt #: 284 total cpu time spent up to now is 15.7 secs Computing kpt #: 285 total cpu time spent up to now is 15.8 secs Computing kpt #: 286 total cpu time spent up to now is 15.8 secs Computing kpt #: 287 total cpu time spent up to now is 15.9 secs Computing kpt #: 288 total cpu time spent up to now is 15.9 secs Computing kpt #: 289 total cpu time spent up to now is 15.9 secs Computing kpt #: 290 total cpu time spent up to now is 16.0 secs Computing kpt #: 291 total cpu time spent up to now is 16.0 secs Computing kpt #: 292 total cpu time spent up to now is 16.1 secs Computing kpt #: 293 total cpu time spent up to now is 16.1 secs Computing kpt #: 294 total cpu time spent up to now is 16.2 secs Computing kpt #: 295 total cpu time spent up to now is 16.2 secs Computing kpt #: 296 total cpu time spent up to now is 16.3 secs Computing kpt #: 297 total cpu time spent up to now is 16.3 secs Computing kpt #: 298 total cpu time spent up to now is 16.3 secs Computing kpt #: 299 total cpu time spent up to now is 16.4 secs Computing kpt #: 300 total cpu time spent up to now is 16.4 secs Computing kpt #: 301 total cpu time spent up to now is 16.5 secs Computing kpt #: 302 total cpu time spent up to now is 16.5 secs Computing kpt #: 303 total cpu time spent up to now is 16.6 secs Computing kpt #: 304 total cpu time spent up to now is 16.6 secs Computing kpt #: 305 total cpu time spent up to now is 16.6 secs Computing kpt #: 306 total cpu time spent up to now is 16.7 secs Computing kpt #: 307 total cpu time spent up to now is 16.7 secs Computing kpt #: 308 total cpu time spent up to now is 16.8 secs Computing kpt #: 309 total cpu time spent up to now is 16.8 secs Computing kpt #: 310 total cpu time spent up to now is 16.9 secs Computing kpt #: 311 total cpu time spent up to now is 16.9 secs Computing kpt #: 312 total cpu time spent up to now is 16.9 secs Computing kpt #: 313 total cpu time spent up to now is 17.0 secs Computing kpt #: 314 total cpu time spent up to now is 17.0 secs Computing kpt #: 315 total cpu time spent up to now is 17.1 secs Computing kpt #: 316 total cpu time spent up to now is 17.1 secs Computing kpt #: 317 total cpu time spent up to now is 17.1 secs Computing kpt #: 318 total cpu time spent up to now is 17.2 secs Computing kpt #: 319 total cpu time spent up to now is 17.2 secs Computing kpt #: 320 total cpu time spent up to now is 17.3 secs Computing kpt #: 321 total cpu time spent up to now is 17.3 secs Computing kpt #: 322 total cpu time spent up to now is 17.3 secs Computing kpt #: 323 total cpu time spent up to now is 17.4 secs Computing kpt #: 324 total cpu time spent up to now is 17.4 secs Computing kpt #: 325 total cpu time spent up to now is 17.5 secs Computing kpt #: 326 total cpu time spent up to now is 17.5 secs Computing kpt #: 327 total cpu time spent up to now is 17.6 secs Computing kpt #: 328 total cpu time spent up to now is 17.6 secs Computing kpt #: 329 total cpu time spent up to now is 17.6 secs Computing kpt #: 330 total cpu time spent up to now is 17.7 secs Computing kpt #: 331 total cpu time spent up to now is 17.7 secs Computing kpt #: 332 total cpu time spent up to now is 17.8 secs Computing kpt #: 333 total cpu time spent up to now is 17.8 secs Computing kpt #: 334 total cpu time spent up to now is 17.8 secs Computing kpt #: 335 total cpu time spent up to now is 17.9 secs Computing kpt #: 336 total cpu time spent up to now is 17.9 secs Computing kpt #: 337 total cpu time spent up to now is 18.0 secs Computing kpt #: 338 total cpu time spent up to now is 18.0 secs Computing kpt #: 339 total cpu time spent up to now is 18.1 secs Computing kpt #: 340 total cpu time spent up to now is 18.1 secs Computing kpt #: 341 total cpu time spent up to now is 18.1 secs Computing kpt #: 342 total cpu time spent up to now is 18.2 secs Computing kpt #: 343 total cpu time spent up to now is 18.2 secs Computing kpt #: 344 total cpu time spent up to now is 18.3 secs Computing kpt #: 345 total cpu time spent up to now is 18.3 secs Computing kpt #: 346 total cpu time spent up to now is 18.4 secs Computing kpt #: 347 total cpu time spent up to now is 18.4 secs Computing kpt #: 348 total cpu time spent up to now is 18.4 secs Computing kpt #: 349 total cpu time spent up to now is 18.5 secs Computing kpt #: 350 total cpu time spent up to now is 18.5 secs Computing kpt #: 351 total cpu time spent up to now is 18.6 secs Computing kpt #: 352 total cpu time spent up to now is 18.6 secs Computing kpt #: 353 total cpu time spent up to now is 18.7 secs Computing kpt #: 354 total cpu time spent up to now is 18.7 secs Computing kpt #: 355 total cpu time spent up to now is 18.7 secs Computing kpt #: 356 total cpu time spent up to now is 18.8 secs Computing kpt #: 357 total cpu time spent up to now is 18.8 secs Computing kpt #: 358 total cpu time spent up to now is 18.9 secs Computing kpt #: 359 total cpu time spent up to now is 18.9 secs Computing kpt #: 360 total cpu time spent up to now is 19.0 secs Computing kpt #: 361 total cpu time spent up to now is 19.0 secs Computing kpt #: 362 total cpu time spent up to now is 19.1 secs Computing kpt #: 363 total cpu time spent up to now is 19.1 secs Computing kpt #: 364 total cpu time spent up to now is 19.1 secs Computing kpt #: 365 total cpu time spent up to now is 19.2 secs Computing kpt #: 366 total cpu time spent up to now is 19.2 secs Computing kpt #: 367 total cpu time spent up to now is 19.3 secs Computing kpt #: 368 total cpu time spent up to now is 19.3 secs Computing kpt #: 369 total cpu time spent up to now is 19.4 secs Computing kpt #: 370 total cpu time spent up to now is 19.4 secs Computing kpt #: 371 total cpu time spent up to now is 19.5 secs Computing kpt #: 372 total cpu time spent up to now is 19.5 secs Computing kpt #: 373 total cpu time spent up to now is 19.6 secs Computing kpt #: 374 total cpu time spent up to now is 19.6 secs Computing kpt #: 375 total cpu time spent up to now is 19.6 secs Computing kpt #: 376 total cpu time spent up to now is 19.7 secs Computing kpt #: 377 total cpu time spent up to now is 19.7 secs Computing kpt #: 378 total cpu time spent up to now is 19.8 secs Computing kpt #: 379 total cpu time spent up to now is 19.8 secs Computing kpt #: 380 total cpu time spent up to now is 19.9 secs Computing kpt #: 381 total cpu time spent up to now is 19.9 secs Computing kpt #: 382 total cpu time spent up to now is 20.0 secs Computing kpt #: 383 total cpu time spent up to now is 20.0 secs Computing kpt #: 384 total cpu time spent up to now is 20.1 secs Computing kpt #: 385 total cpu time spent up to now is 20.1 secs Computing kpt #: 386 total cpu time spent up to now is 20.2 secs Computing kpt #: 387 total cpu time spent up to now is 20.2 secs Computing kpt #: 388 total cpu time spent up to now is 20.3 secs Computing kpt #: 389 total cpu time spent up to now is 20.3 secs Computing kpt #: 390 total cpu time spent up to now is 20.4 secs Computing kpt #: 391 total cpu time spent up to now is 20.4 secs Computing kpt #: 392 total cpu time spent up to now is 20.4 secs Computing kpt #: 393 total cpu time spent up to now is 20.5 secs Computing kpt #: 394 total cpu time spent up to now is 20.5 secs Computing kpt #: 395 total cpu time spent up to now is 20.6 secs Computing kpt #: 396 total cpu time spent up to now is 20.6 secs Computing kpt #: 397 total cpu time spent up to now is 20.7 secs Computing kpt #: 398 total cpu time spent up to now is 20.7 secs Computing kpt #: 399 total cpu time spent up to now is 20.8 secs Computing kpt #: 400 total cpu time spent up to now is 20.8 secs Computing kpt #: 401 total cpu time spent up to now is 20.9 secs Computing kpt #: 402 total cpu time spent up to now is 20.9 secs Computing kpt #: 403 total cpu time spent up to now is 21.0 secs Computing kpt #: 404 total cpu time spent up to now is 21.0 secs Computing kpt #: 405 total cpu time spent up to now is 21.1 secs Computing kpt #: 406 total cpu time spent up to now is 21.1 secs Computing kpt #: 407 total cpu time spent up to now is 21.1 secs Computing kpt #: 408 total cpu time spent up to now is 21.2 secs Computing kpt #: 409 total cpu time spent up to now is 21.2 secs Computing kpt #: 410 total cpu time spent up to now is 21.3 secs Computing kpt #: 411 total cpu time spent up to now is 21.3 secs Computing kpt #: 412 total cpu time spent up to now is 21.4 secs Computing kpt #: 413 total cpu time spent up to now is 21.4 secs Computing kpt #: 414 total cpu time spent up to now is 21.5 secs Computing kpt #: 415 total cpu time spent up to now is 21.5 secs Computing kpt #: 416 total cpu time spent up to now is 21.6 secs Computing kpt #: 417 total cpu time spent up to now is 21.6 secs Computing kpt #: 418 total cpu time spent up to now is 21.7 secs Computing kpt #: 419 total cpu time spent up to now is 21.7 secs Computing kpt #: 420 total cpu time spent up to now is 21.7 secs Computing kpt #: 421 total cpu time spent up to now is 21.8 secs Computing kpt #: 422 total cpu time spent up to now is 21.8 secs Computing kpt #: 423 total cpu time spent up to now is 21.9 secs Computing kpt #: 424 total cpu time spent up to now is 21.9 secs Computing kpt #: 425 total cpu time spent up to now is 22.0 secs Computing kpt #: 426 total cpu time spent up to now is 22.0 secs Computing kpt #: 427 total cpu time spent up to now is 22.1 secs Computing kpt #: 428 total cpu time spent up to now is 22.1 secs Computing kpt #: 429 total cpu time spent up to now is 22.1 secs Computing kpt #: 430 total cpu time spent up to now is 22.2 secs Computing kpt #: 431 total cpu time spent up to now is 22.2 secs Computing kpt #: 432 total cpu time spent up to now is 22.3 secs Computing kpt #: 433 total cpu time spent up to now is 22.3 secs Computing kpt #: 434 total cpu time spent up to now is 22.4 secs Computing kpt #: 435 total cpu time spent up to now is 22.4 secs Computing kpt #: 436 total cpu time spent up to now is 22.4 secs Computing kpt #: 437 total cpu time spent up to now is 22.5 secs Computing kpt #: 438 total cpu time spent up to now is 22.5 secs Computing kpt #: 439 total cpu time spent up to now is 22.6 secs Computing kpt #: 440 total cpu time spent up to now is 22.6 secs Computing kpt #: 441 total cpu time spent up to now is 22.7 secs Computing kpt #: 442 total cpu time spent up to now is 22.7 secs Computing kpt #: 443 total cpu time spent up to now is 22.7 secs Computing kpt #: 444 total cpu time spent up to now is 22.8 secs Computing kpt #: 445 total cpu time spent up to now is 22.8 secs Computing kpt #: 446 total cpu time spent up to now is 22.9 secs Computing kpt #: 447 total cpu time spent up to now is 22.9 secs Computing kpt #: 448 total cpu time spent up to now is 23.0 secs Computing kpt #: 449 total cpu time spent up to now is 23.0 secs Computing kpt #: 450 total cpu time spent up to now is 23.0 secs Computing kpt #: 451 total cpu time spent up to now is 23.1 secs Computing kpt #: 452 total cpu time spent up to now is 23.1 secs Computing kpt #: 453 total cpu time spent up to now is 23.2 secs Computing kpt #: 454 total cpu time spent up to now is 23.2 secs Computing kpt #: 455 total cpu time spent up to now is 23.3 secs Computing kpt #: 456 total cpu time spent up to now is 23.3 secs Computing kpt #: 457 total cpu time spent up to now is 23.4 secs Computing kpt #: 458 total cpu time spent up to now is 23.4 secs Computing kpt #: 459 total cpu time spent up to now is 23.4 secs Computing kpt #: 460 total cpu time spent up to now is 23.5 secs Computing kpt #: 461 total cpu time spent up to now is 23.5 secs Computing kpt #: 462 total cpu time spent up to now is 23.6 secs Computing kpt #: 463 total cpu time spent up to now is 23.6 secs Computing kpt #: 464 total cpu time spent up to now is 23.6 secs Computing kpt #: 465 total cpu time spent up to now is 23.7 secs Computing kpt #: 466 total cpu time spent up to now is 23.7 secs Computing kpt #: 467 total cpu time spent up to now is 23.8 secs Computing kpt #: 468 total cpu time spent up to now is 23.9 secs Computing kpt #: 469 total cpu time spent up to now is 23.9 secs Computing kpt #: 470 total cpu time spent up to now is 23.9 secs Computing kpt #: 471 total cpu time spent up to now is 24.0 secs Computing kpt #: 472 total cpu time spent up to now is 24.0 secs Computing kpt #: 473 total cpu time spent up to now is 24.1 secs Computing kpt #: 474 total cpu time spent up to now is 24.1 secs Computing kpt #: 475 total cpu time spent up to now is 24.1 secs Computing kpt #: 476 total cpu time spent up to now is 24.2 secs Computing kpt #: 477 total cpu time spent up to now is 24.2 secs Computing kpt #: 478 total cpu time spent up to now is 24.3 secs Computing kpt #: 479 total cpu time spent up to now is 24.3 secs Computing kpt #: 480 total cpu time spent up to now is 24.4 secs Computing kpt #: 481 total cpu time spent up to now is 24.4 secs Computing kpt #: 482 total cpu time spent up to now is 24.4 secs Computing kpt #: 483 total cpu time spent up to now is 24.5 secs Computing kpt #: 484 total cpu time spent up to now is 24.5 secs Computing kpt #: 485 total cpu time spent up to now is 24.6 secs Computing kpt #: 486 total cpu time spent up to now is 24.6 secs Computing kpt #: 487 total cpu time spent up to now is 24.7 secs Computing kpt #: 488 total cpu time spent up to now is 24.7 secs Computing kpt #: 489 total cpu time spent up to now is 24.7 secs Computing kpt #: 490 total cpu time spent up to now is 24.8 secs Computing kpt #: 491 total cpu time spent up to now is 24.9 secs Computing kpt #: 492 total cpu time spent up to now is 24.9 secs Computing kpt #: 493 total cpu time spent up to now is 25.0 secs Computing kpt #: 494 total cpu time spent up to now is 25.0 secs Computing kpt #: 495 total cpu time spent up to now is 25.0 secs Computing kpt #: 496 total cpu time spent up to now is 25.1 secs Computing kpt #: 497 total cpu time spent up to now is 25.1 secs Computing kpt #: 498 total cpu time spent up to now is 25.2 secs Computing kpt #: 499 total cpu time spent up to now is 25.2 secs Computing kpt #: 500 total cpu time spent up to now is 25.3 secs Computing kpt #: 501 total cpu time spent up to now is 25.3 secs Computing kpt #: 502 total cpu time spent up to now is 25.3 secs Computing kpt #: 503 total cpu time spent up to now is 25.4 secs Computing kpt #: 504 total cpu time spent up to now is 25.4 secs Computing kpt #: 505 total cpu time spent up to now is 25.5 secs Computing kpt #: 506 total cpu time spent up to now is 25.5 secs Computing kpt #: 507 total cpu time spent up to now is 25.6 secs Computing kpt #: 508 total cpu time spent up to now is 25.6 secs Computing kpt #: 509 total cpu time spent up to now is 25.7 secs Computing kpt #: 510 total cpu time spent up to now is 25.7 secs Computing kpt #: 511 total cpu time spent up to now is 25.8 secs Computing kpt #: 512 total cpu time spent up to now is 25.8 secs Computing kpt #: 513 total cpu time spent up to now is 25.8 secs Computing kpt #: 514 total cpu time spent up to now is 25.9 secs Computing kpt #: 515 total cpu time spent up to now is 25.9 secs Computing kpt #: 516 total cpu time spent up to now is 26.0 secs Computing kpt #: 517 total cpu time spent up to now is 26.0 secs Computing kpt #: 518 total cpu time spent up to now is 26.1 secs Computing kpt #: 519 total cpu time spent up to now is 26.1 secs Computing kpt #: 520 total cpu time spent up to now is 26.2 secs Computing kpt #: 521 total cpu time spent up to now is 26.2 secs Computing kpt #: 522 total cpu time spent up to now is 26.3 secs Computing kpt #: 523 total cpu time spent up to now is 26.3 secs Computing kpt #: 524 total cpu time spent up to now is 26.4 secs Computing kpt #: 525 total cpu time spent up to now is 26.4 secs Computing kpt #: 526 total cpu time spent up to now is 26.5 secs Computing kpt #: 527 total cpu time spent up to now is 26.5 secs Computing kpt #: 528 total cpu time spent up to now is 26.6 secs Computing kpt #: 529 total cpu time spent up to now is 26.6 secs Computing kpt #: 530 total cpu time spent up to now is 26.7 secs Computing kpt #: 531 total cpu time spent up to now is 26.7 secs Computing kpt #: 532 total cpu time spent up to now is 26.8 secs Computing kpt #: 533 total cpu time spent up to now is 26.8 secs Computing kpt #: 534 total cpu time spent up to now is 26.9 secs Computing kpt #: 535 total cpu time spent up to now is 26.9 secs Computing kpt #: 536 total cpu time spent up to now is 27.0 secs Computing kpt #: 537 total cpu time spent up to now is 27.0 secs Computing kpt #: 538 total cpu time spent up to now is 27.1 secs Computing kpt #: 539 total cpu time spent up to now is 27.1 secs Computing kpt #: 540 total cpu time spent up to now is 27.2 secs Computing kpt #: 541 total cpu time spent up to now is 27.3 secs Computing kpt #: 542 total cpu time spent up to now is 27.3 secs Computing kpt #: 543 total cpu time spent up to now is 27.4 secs Computing kpt #: 544 total cpu time spent up to now is 27.4 secs Computing kpt #: 545 total cpu time spent up to now is 27.5 secs Computing kpt #: 546 total cpu time spent up to now is 27.5 secs ethr = 1.00E-07, avg # of iterations = 8.7 total cpu time spent up to now is 27.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7498 -11.7498 7.2250 7.2250 7.2621 7.2621 7.2621 7.2621 13.8691 13.8691 24.4074 24.4074 24.4175 24.4175 24.4175 24.4175 k = 0.0060-0.0035 0.0049 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7490 -11.7490 7.2235 7.2235 7.2601 7.2601 7.2611 7.2611 13.8721 13.8721 24.4019 24.4019 24.4114 24.4114 24.4135 24.4135 k = 0.0120-0.0070 0.0098 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7468 -11.7468 7.2188 7.2188 7.2542 7.2542 7.2581 7.2581 13.8811 13.8811 24.3820 24.3820 24.3968 24.3968 24.4019 24.4019 k = 0.0181-0.0104 0.0148 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7430 -11.7430 7.2103 7.2103 7.2451 7.2451 7.2532 7.2532 13.8961 13.8961 24.3453 24.3453 24.3768 24.3768 24.3828 24.3828 k = 0.0241-0.0139 0.0197 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7377 -11.7377 7.1970 7.1970 7.2339 7.2339 7.2462 7.2462 13.9170 13.9170 24.2936 24.2936 24.3505 24.3505 24.3569 24.3569 k = 0.0301-0.0174 0.0246 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7309 -11.7309 7.1781 7.1781 7.2214 7.2214 7.2373 7.2373 13.9437 13.9437 24.2278 24.2278 24.3183 24.3183 24.3248 24.3248 k = 0.0361-0.0209 0.0295 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7227 -11.7227 7.1533 7.1533 7.2080 7.2080 7.2265 7.2265 13.9761 13.9761 24.1489 24.1489 24.2807 24.2807 24.2873 24.2873 k = 0.0422-0.0243 0.0344 ( 1143 PWs) bands (ev): -91.6844 -91.6844 -11.7129 -11.7129 7.1229 7.1229 7.1936 7.1936 7.2138 7.2138 14.0141 14.0141 24.0577 24.0577 24.2387 24.2387 24.2453 24.2453 k = 0.0482-0.0278 0.0393 ( 1143 PWs) bands (ev): -91.6843 -91.6843 -11.7016 -11.7016 7.0873 7.0873 7.1780 7.1780 7.1991 7.1991 14.0575 14.0575 23.9552 23.9552 24.1929 24.1929 24.1996 24.1996 k = 0.0542-0.0313 0.0443 ( 1143 PWs) bands (ev): -91.6843 -91.6843 -11.6888 -11.6888 7.0470 7.0470 7.1608 7.1608 7.1826 7.1826 14.1062 14.1062 23.8423 23.8423 24.1443 24.1443 24.1510 24.1510 k = 0.0602-0.0348 0.0492 ( 1143 PWs) bands (ev): -91.6843 -91.6843 -11.6746 -11.6746 7.0021 7.0021 7.1420 7.1420 7.1643 7.1643 14.1600 14.1600 23.7199 23.7199 24.0935 24.0935 24.1003 24.1003 k = 0.0663-0.0383 0.0541 ( 1139 PWs) bands (ev): -91.6843 -91.6843 -11.6588 -11.6588 6.9529 6.9529 7.1216 7.1216 7.1442 7.1442 14.2187 14.2187 23.5892 23.5892 24.0412 24.0412 24.0481 24.0481 k = 0.0723-0.0417 0.0590 ( 1147 PWs) bands (ev): -91.6843 -91.6843 -11.6416 -11.6416 6.8996 6.8996 7.0995 7.0995 7.1224 7.1224 14.2822 14.2822 23.4509 23.4509 23.9882 23.9882 23.9951 23.9951 k = 0.0783-0.0452 0.0639 ( 1147 PWs) bands (ev): -91.6842 -91.6842 -11.6230 -11.6230 6.8424 6.8424 7.0758 7.0758 7.0988 7.0988 14.3502 14.3502 23.3061 23.3061 23.9348 23.9348 23.9419 23.9419 k = 0.0843-0.0487 0.0689 ( 1147 PWs) bands (ev): -91.6842 -91.6842 -11.6028 -11.6028 6.7815 6.7815 7.0505 7.0505 7.0736 7.0736 14.4225 14.4225 23.1557 23.1557 23.8816 23.8816 23.8888 23.8888 k = 0.0904-0.0522 0.0738 ( 1147 PWs) bands (ev): -91.6842 -91.6842 -11.5812 -11.5812 6.7170 6.7170 7.0237 7.0237 7.0468 7.0468 14.4990 14.4990 23.0004 23.0004 23.8291 23.8291 23.8363 23.8363 k = 0.0964-0.0556 0.0787 ( 1147 PWs) bands (ev): -91.6842 -91.6842 -11.5582 -11.5582 6.6491 6.6491 6.9953 6.9953 7.0185 7.0185 14.5795 14.5795 22.8411 22.8411 23.7775 23.7775 23.7848 23.7848 k = 0.1024-0.0591 0.0836 ( 1147 PWs) bands (ev): -91.6841 -91.6841 -11.5337 -11.5337 6.5779 6.5779 6.9655 6.9655 6.9887 6.9887 14.6637 14.6637 22.6786 22.6786 23.7271 23.7271 23.7346 23.7346 k = 0.1084-0.0626 0.0885 ( 1151 PWs) bands (ev): -91.6841 -91.6841 -11.5079 -11.5079 6.5036 6.5036 6.9342 6.9342 6.9574 6.9574 14.7514 14.7514 22.5135 22.5135 23.6783 23.6783 23.6859 23.6859 k = 0.1145-0.0661 0.0935 ( 1151 PWs) bands (ev): -91.6841 -91.6841 -11.4806 -11.4806 6.4264 6.4264 6.9016 6.9016 6.9247 6.9247 14.8425 14.8425 22.3465 22.3465 23.6312 23.6312 23.6389 23.6389 k = 0.1205-0.0696 0.0984 ( 1151 PWs) bands (ev): -91.6840 -91.6840 -11.4519 -11.4519 6.3463 6.3463 6.8677 6.8677 6.8908 6.8908 14.9368 14.9368 22.1782 22.1782 23.5860 23.5860 23.5938 23.5938 k = 0.1265-0.0730 0.1033 ( 1155 PWs) bands (ev): -91.6840 -91.6840 -11.4218 -11.4218 6.2635 6.2635 6.8325 6.8325 6.8556 6.8556 15.0340 15.0340 22.0091 22.0091 23.5428 23.5428 23.5508 23.5508 k = 0.1325-0.0765 0.1082 ( 1155 PWs) bands (ev): -91.6840 -91.6840 -11.3904 -11.3904 6.1782 6.1782 6.7962 6.7962 6.8192 6.8192 15.1340 15.1340 21.8398 21.8398 23.5018 23.5018 23.5099 23.5099 k = 0.1386-0.0800 0.1131 ( 1154 PWs) bands (ev): -91.6839 -91.6839 -11.3576 -11.3576 6.0904 6.0904 6.7588 6.7588 6.7817 6.7817 15.2366 15.2366 21.6708 21.6708 23.4631 23.4631 23.4713 23.4713 k = 0.1446-0.0835 0.1180 ( 1154 PWs) bands (ev): -91.6839 -91.6839 -11.3235 -11.3235 6.0003 6.0003 6.7203 6.7203 6.7432 6.7432 15.3415 15.3415 21.5025 21.5025 23.4266 23.4266 23.4350 23.4350 k = 0.1506-0.0870 0.1230 ( 1154 PWs) bands (ev): -91.6838 -91.6838 -11.2880 -11.2880 5.9080 5.9080 6.6809 6.6809 6.7037 6.7037 15.4486 15.4486 21.3354 21.3354 23.3926 23.3926 23.4011 23.4011 k = 0.1566-0.0904 0.1279 ( 1154 PWs) bands (ev): -91.6838 -91.6838 -11.2513 -11.2513 5.8136 5.8136 6.6406 6.6406 6.6633 6.6633 15.5577 15.5577 21.1698 21.1698 23.3609 23.3609 23.3696 23.3696 k = 0.1627-0.0939 0.1328 ( 1154 PWs) bands (ev): -91.6837 -91.6837 -11.2132 -11.2132 5.7171 5.7171 6.5995 6.5995 6.6220 6.6220 15.6685 15.6685 21.0061 21.0061 23.3316 23.3316 23.3405 23.3405 k = 0.1687-0.0974 0.1377 ( 1154 PWs) bands (ev): -91.6837 -91.6837 -11.1739 -11.1739 5.6188 5.6188 6.5576 6.5576 6.5800 6.5800 15.7809 15.7809 20.8447 20.8447 23.3048 23.3048 23.3138 23.3138 k = 0.1747-0.1009 0.1426 ( 1150 PWs) bands (ev): -91.6836 -91.6836 -11.1334 -11.1334 5.5186 5.5186 6.5150 6.5150 6.5373 6.5373 15.8945 15.8945 20.6859 20.6859 23.2804 23.2804 23.2896 23.2896 k = 0.1807-0.1043 0.1476 ( 1146 PWs) bands (ev): -91.6836 -91.6836 -11.0917 -11.0917 5.4168 5.4168 6.4718 6.4718 6.4941 6.4941 16.0092 16.0092 20.5302 20.5302 23.2583 23.2583 23.2677 23.2677 k = 0.1867-0.1078 0.1525 ( 1134 PWs) bands (ev): -91.6835 -91.6835 -11.0488 -11.0488 5.3133 5.3133 6.4281 6.4281 6.4502 6.4502 16.1245 16.1245 20.3779 20.3779 23.2387 23.2387 23.2482 23.2482 k = 0.1928-0.1113 0.1574 ( 1134 PWs) bands (ev): -91.6835 -91.6835 -11.0047 -11.0047 5.2083 5.2083 6.3839 6.3839 6.4059 6.4059 16.2403 16.2403 20.2293 20.2293 23.2214 23.2214 23.2311 23.2311 k = 0.1988-0.1148 0.1623 ( 1134 PWs) bands (ev): -91.6834 -91.6834 -10.9595 -10.9595 5.1019 5.1019 6.3393 6.3393 6.3612 6.3612 16.3561 16.3561 20.0848 20.0848 23.2064 23.2064 23.2163 23.2163 k = 0.2048-0.1183 0.1672 ( 1134 PWs) bands (ev): -91.6834 -91.6834 -10.9132 -10.9132 4.9941 4.9941 6.2944 6.2944 6.3162 6.3162 16.4715 16.4715 19.9450 19.9450 23.1066 23.1066 23.1937 23.1937 k = 0.2108-0.1217 0.1722 ( 1134 PWs) bands (ev): -91.6833 -91.6833 -10.8658 -10.8658 4.8851 4.8851 6.2493 6.2493 6.2709 6.2709 16.5859 16.5859 19.8103 19.8103 22.9657 22.9657 23.1831 23.1831 k = 0.2169-0.1252 0.1771 ( 1134 PWs) bands (ev): -91.6833 -91.6833 -10.8174 -10.8174 4.7750 4.7750 6.2039 6.2039 6.2255 6.2255 16.6988 16.6988 19.6814 19.6814 22.8275 22.8275 23.1747 23.1747 k = 0.2229-0.1287 0.1820 ( 1134 PWs) bands (ev): -91.6832 -91.6832 -10.7680 -10.7680 4.6638 4.6638 6.1584 6.1584 6.1799 6.1799 16.8093 16.8093 19.5591 19.5591 22.6920 22.6920 23.1684 23.1684 k = 0.2289-0.1322 0.1869 ( 1118 PWs) bands (ev): -91.6832 -91.6832 -10.7176 -10.7176 4.5518 4.5518 6.1129 6.1129 6.1343 6.1343 16.9166 16.9166 19.4443 19.4443 22.5593 22.5593 23.1641 23.1641 k = 0.2349-0.1356 0.1918 ( 1118 PWs) bands (ev): -91.6831 -91.6831 -10.6664 -10.6664 4.4388 4.4388 6.0674 6.0674 6.0887 6.0887 17.0192 17.0192 19.3381 19.3381 22.4293 22.4293 23.1618 23.1618 k = 0.2410-0.1391 0.1967 ( 1118 PWs) bands (ev): -91.6831 -91.6831 -10.6143 -10.6143 4.3252 4.3252 6.0220 6.0220 6.0431 6.0431 17.1157 17.1157 19.2420 19.2420 22.3020 22.3020 23.1613 23.1613 k = 0.2470-0.1426 0.2017 ( 1118 PWs) bands (ev): -91.6830 -91.6830 -10.5613 -10.5613 4.2109 4.2109 5.9768 5.9768 5.9978 5.9978 17.2042 17.2042 19.1578 19.1578 22.1776 22.1776 23.1626 23.1626 k = 0.2530-0.1461 0.2066 ( 1118 PWs) bands (ev): -91.6829 -91.6829 -10.5076 -10.5076 4.0961 4.0961 5.9317 5.9317 5.9526 5.9526 17.2823 17.2823 19.0879 19.0879 22.0559 22.0559 23.1657 23.1657 k = 0.2590-0.1496 0.2115 ( 1118 PWs) bands (ev): -91.6829 -91.6829 -10.4531 -10.4531 3.9809 3.9809 5.8869 5.8869 5.9077 5.9077 17.3475 17.3475 19.0347 19.0347 21.9371 21.9371 23.1703 23.1703 k = 0.2651-0.1530 0.2164 ( 1118 PWs) bands (ev): -91.6828 -91.6828 -10.3980 -10.3980 3.8654 3.8654 5.8425 5.8425 5.8632 5.8632 17.3972 17.3972 19.0006 19.0006 21.8211 21.8211 23.1766 23.1766 k = 0.2711-0.1565 0.2213 ( 1130 PWs) bands (ev): -91.6828 -91.6828 -10.3423 -10.3423 3.7498 3.7498 5.7985 5.7985 5.8190 5.8190 17.4293 17.4293 18.9875 18.9875 21.7079 21.7079 23.1843 23.1843 k = 0.2771-0.1600 0.2263 ( 1130 PWs) bands (ev): -91.6827 -91.6827 -10.2860 -10.2860 3.6341 3.6341 5.7549 5.7549 5.7753 5.7753 17.4431 17.4431 18.9962 18.9962 21.5976 21.5976 23.1933 23.1934 k = 0.2831-0.1635 0.2312 ( 1130 PWs) bands (ev): -91.6827 -91.6827 -10.2293 -10.2293 3.5186 3.5186 5.7118 5.7118 5.7322 5.7322 17.4392 17.4392 19.0258 19.0258 21.4901 21.4901 23.2037 23.2037 k = 0.2892-0.1669 0.2361 ( 1126 PWs) bands (ev): -91.6826 -91.6826 -10.1722 -10.1722 3.4033 3.4033 5.6693 5.6693 5.6895 5.6895 17.4196 17.4196 19.0742 19.0742 21.3855 21.3855 23.2153 23.2153 k = 0.2952-0.1704 0.2410 ( 1126 PWs) bands (ev): -91.6826 -91.6826 -10.1147 -10.1147 3.2884 3.2884 5.6274 5.6274 5.6475 5.6475 17.3870 17.3870 19.1384 19.1384 21.2838 21.2838 23.2280 23.2281 k = 0.3012-0.1739 0.2459 ( 1126 PWs) bands (ev): -91.6825 -91.6825 -10.0569 -10.0569 3.1740 3.1740 5.5861 5.5861 5.6062 5.6062 17.3445 17.3445 19.2152 19.2152 21.1850 21.1850 23.2417 23.2417 k = 0.3072-0.1774 0.2509 ( 1126 PWs) bands (ev): -91.6825 -91.6825 -9.9990 -9.9990 3.0602 3.0602 5.5456 5.5456 5.5656 5.5656 17.2947 17.2947 19.3019 19.3019 21.0890 21.0890 23.2563 23.2563 k = 0.3133-0.1809 0.2558 ( 1118 PWs) bands (ev): -91.6824 -91.6824 -9.9410 -9.9410 2.9473 2.9473 5.5058 5.5058 5.5258 5.5258 17.2401 17.2401 19.3958 19.3958 20.9960 20.9960 23.2718 23.2718 k = 0.3193-0.1843 0.2607 ( 1118 PWs) bands (ev): -91.6824 -91.6824 -9.8829 -9.8829 2.8353 2.8353 5.4669 5.4669 5.4867 5.4867 17.1823 17.1823 19.4949 19.4949 20.9059 20.9059 23.2880 23.2885 k = 0.3253-0.1878 0.2656 ( 1118 PWs) bands (ev): -91.6823 -91.6823 -9.8250 -9.8250 2.7245 2.7245 5.4288 5.4288 5.4486 5.4486 17.1228 17.1228 19.5978 19.5978 20.8187 20.8187 23.3049 23.3049 k = 0.3313-0.1913 0.2705 ( 1118 PWs) bands (ev): -91.6823 -91.6823 -9.7672 -9.7672 2.6149 2.6149 5.3916 5.3916 5.4113 5.4113 17.0625 17.0625 19.7030 19.7030 20.7344 20.7344 23.3223 23.3224 k = 0.3373-0.1948 0.2754 ( 1118 PWs) bands (ev): -91.6822 -91.6822 -9.7098 -9.7098 2.5068 2.5068 5.3554 5.3554 5.3750 5.3750 17.0024 17.0024 19.8097 19.8097 20.6530 20.6530 23.3401 23.3401 k = 0.3434-0.1982 0.2804 ( 1126 PWs) bands (ev): -91.6822 -91.6822 -9.6527 -9.6527 2.4003 2.4003 5.3201 5.3201 5.3396 5.3396 16.9429 16.9429 19.9168 19.9168 20.5746 20.5746 23.3583 23.3583 k = 0.3494-0.2017 0.2853 ( 1126 PWs) bands (ev): -91.6822 -91.6822 -9.5961 -9.5961 2.2957 2.2957 5.2859 5.2859 5.3053 5.3053 16.8846 16.8846 20.0239 20.0239 20.4990 20.4990 23.3768 23.3768 k = 0.3554-0.2052 0.2902 ( 1126 PWs) bands (ev): -91.6821 -91.6821 -9.5402 -9.5402 2.1930 2.1930 5.2527 5.2527 5.2720 5.2720 16.8277 16.8277 20.1303 20.1303 20.4265 20.4265 23.3954 23.3954 k = 0.3614-0.2087 0.2951 ( 1126 PWs) bands (ev): -91.6821 -91.6821 -9.4850 -9.4850 2.0924 2.0924 5.2206 5.2206 5.2399 5.2399 16.7727 16.7727 20.2355 20.2355 20.3568 20.3568 23.4141 23.4142 k = 0.3675-0.2122 0.3000 ( 1126 PWs) bands (ev): -91.6820 -91.6820 -9.4307 -9.4307 1.9942 1.9942 5.1896 5.1896 5.2088 5.2088 16.7195 16.7195 20.2901 20.2901 20.3390 20.3390 23.4328 23.4328 k = 0.3735-0.2156 0.3050 ( 1134 PWs) bands (ev): -91.6820 -91.6820 -9.3773 -9.3773 1.8985 1.8985 5.1598 5.1598 5.1790 5.1790 16.6684 16.6684 20.2264 20.2264 20.4406 20.4406 23.4515 23.4517 k = 0.3795-0.2191 0.3099 ( 1142 PWs) bands (ev): -91.6820 -91.6820 -9.3251 -9.3251 1.8056 1.8056 5.1312 5.1312 5.1503 5.1503 16.6195 16.6195 20.1656 20.1656 20.5396 20.5396 23.4699 23.4699 k = 0.3855-0.2226 0.3148 ( 1142 PWs) bands (ev): -91.6819 -91.6819 -9.2742 -9.2742 1.7155 1.7155 5.1038 5.1038 5.1228 5.1228 16.5729 16.5729 20.1077 20.1078 20.6361 20.6361 23.4880 23.4881 k = 0.3916-0.2261 0.3197 ( 1134 PWs) bands (ev): -91.6819 -91.6819 -9.2247 -9.2247 1.6286 1.6286 5.0776 5.0776 5.0966 5.0966 16.5287 16.5287 20.0529 20.0529 20.7295 20.7295 23.5058 23.5058 k = 0.3976-0.2295 0.3246 ( 1134 PWs) bands (ev): -91.6819 -91.6819 -9.1768 -9.1768 1.5449 1.5449 5.0527 5.0527 5.0716 5.0716 16.4867 16.4867 20.0009 20.0009 20.8196 20.8196 23.5231 23.5233 k = 0.4036-0.2330 0.3295 ( 1134 PWs) bands (ev): -91.6818 -91.6818 -9.1305 -9.1305 1.4648 1.4648 5.0291 5.0291 5.0480 5.0480 16.4472 16.4472 19.9519 19.9519 20.9061 20.9061 23.5400 23.5401 k = 0.4096-0.2365 0.3345 ( 1134 PWs) bands (ev): -91.6818 -91.6818 -9.0861 -9.0861 1.3882 1.3882 5.0068 5.0068 5.0257 5.0257 16.4101 16.4101 19.9059 19.9059 20.9888 20.9888 23.5562 23.5562 k = 0.4157-0.2400 0.3394 ( 1138 PWs) bands (ev): -91.6818 -91.6818 -9.0437 -9.0437 1.3156 1.3156 4.9859 4.9859 5.0047 5.0047 16.3754 16.3754 19.8629 19.8629 21.0674 21.0674 23.5717 23.5717 k = 0.4217-0.2435 0.3443 ( 1138 PWs) bands (ev): -91.6817 -91.6817 -9.0035 -9.0035 1.2470 1.2470 4.9663 4.9663 4.9851 4.9851 16.3431 16.3431 19.8228 19.8228 21.1416 21.1416 23.5865 23.5866 k = 0.4277-0.2469 0.3492 ( 1138 PWs) bands (ev): -91.6817 -91.6817 -8.9655 -8.9655 1.1826 1.1826 4.9481 4.9481 4.9668 4.9668 16.3133 16.3133 19.7856 19.7856 21.2113 21.2113 23.6005 23.6006 k = 0.4337-0.2504 0.3541 ( 1138 PWs) bands (ev): -91.6817 -91.6817 -8.9300 -8.9300 1.1227 1.1227 4.9313 4.9313 4.9500 4.9500 16.2859 16.2859 19.7515 19.7515 21.2763 21.2763 23.6136 23.6138 k = 0.4398-0.2539 0.3591 ( 1138 PWs) bands (ev): -91.6817 -91.6817 -8.8970 -8.8970 1.0673 1.0673 4.9159 4.9159 4.9346 4.9346 16.2609 16.2609 19.7203 19.7203 21.3363 21.3363 23.6258 23.6258 k = 0.4458-0.2574 0.3640 ( 1138 PWs) bands (ev): -91.6817 -91.6817 -8.8667 -8.8667 1.0166 1.0166 4.9019 4.9019 4.9205 4.9205 16.2383 16.2383 19.6920 19.6920 21.3912 21.3912 23.6370 23.6371 k = 0.4518-0.2609 0.3689 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.8392 -8.8392 0.9709 0.9709 4.8894 4.8894 4.9080 4.9080 16.2182 16.2182 19.6668 19.6668 21.4407 21.4407 23.6471 23.6474 k = 0.4578-0.2643 0.3738 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.8147 -8.8147 0.9301 0.9301 4.8783 4.8783 4.8969 4.8969 16.2004 16.2004 19.6445 19.6445 21.4849 21.4849 23.6562 23.6563 k = 0.4639-0.2678 0.3787 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7932 -8.7932 0.8946 0.8946 4.8686 4.8686 4.8872 4.8872 16.1851 16.1851 19.6252 19.6252 21.5234 21.5234 23.6641 23.6646 k = 0.4699-0.2713 0.3837 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7748 -8.7748 0.8643 0.8643 4.8605 4.8605 4.8790 4.8790 16.1721 16.1721 19.6088 19.6088 21.5562 21.5562 23.6709 23.6710 k = 0.4759-0.2748 0.3886 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7597 -8.7597 0.8393 0.8393 4.8538 4.8538 4.8723 4.8723 16.1614 16.1614 19.5954 19.5954 21.5832 21.5832 23.6766 23.6768 k = 0.4819-0.2782 0.3935 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7478 -8.7478 0.8198 0.8198 4.8486 4.8486 4.8671 4.8671 16.1532 16.1532 19.5850 19.5850 21.6042 21.6042 23.6809 23.6809 k = 0.4880-0.2817 0.3984 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7393 -8.7393 0.8059 0.8059 4.8448 4.8448 4.8634 4.8634 16.1473 16.1473 19.5776 19.5776 21.6193 21.6193 23.6841 23.6842 k = 0.4940-0.2852 0.4033 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7342 -8.7342 0.7975 0.7975 4.8426 4.8426 4.8611 4.8611 16.1438 16.1438 19.5731 19.5731 21.6284 21.6284 23.6860 23.6861 k = 0.5000-0.2887 0.4082 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7325 -8.7325 0.7947 0.7947 4.8419 4.8419 4.8604 4.8604 16.1426 16.1426 19.5717 19.5717 21.6315 21.6315 23.6866 23.6866 k = 0.5000-0.2887 0.4082 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7325 -8.7325 0.7947 0.7947 4.8419 4.8419 4.8604 4.8604 16.1426 16.1426 19.5717 19.5717 21.6315 21.6315 23.6866 23.6866 k = 0.5000-0.2818 0.4131 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7325 -8.7325 0.7957 0.7957 4.8408 4.8408 4.8594 4.8594 16.1445 16.1445 19.5730 19.5730 21.6309 21.6309 23.6856 23.6856 k = 0.5000-0.2749 0.4180 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7327 -8.7327 0.7988 0.7988 4.8369 4.8369 4.8572 4.8572 16.1501 16.1501 19.5771 19.5771 21.6291 21.6291 23.6763 23.6763 k = 0.5000-0.2681 0.4228 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.7329 -8.7329 0.8040 0.8040 4.8287 4.8287 4.8553 4.8553 16.1595 16.1595 19.5839 19.5839 21.6262 21.6262 23.6570 23.6570 k = 0.5000-0.2612 0.4277 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7331 -8.7331 0.8113 0.8113 4.8156 4.8156 4.8543 4.8543 16.1727 16.1727 19.5934 19.5934 21.6221 21.6221 23.6290 23.6290 k = 0.5000-0.2543 0.4325 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7335 -8.7335 0.8207 0.8207 4.7978 4.7978 4.8540 4.8540 16.1896 16.1896 19.6054 19.6054 21.6168 21.6168 23.5929 23.5929 k = 0.5000-0.2474 0.4374 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.7339 -8.7339 0.8321 0.8321 4.7758 4.7758 4.8541 4.8541 16.2102 16.2102 19.6199 19.6199 21.6104 21.6104 23.5491 23.5491 k = 0.5000-0.2406 0.4423 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7345 -8.7345 0.8456 0.8456 4.7497 4.7497 4.8545 4.8545 16.2346 16.2346 19.6367 19.6367 21.6029 21.6029 23.4977 23.4977 k = 0.5000-0.2337 0.4471 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7350 -8.7350 0.8611 0.8611 4.7197 4.7197 4.8551 4.8551 16.2627 16.2627 19.6558 19.6558 21.5942 21.5942 23.4390 23.4390 k = 0.5000-0.2268 0.4520 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7357 -8.7357 0.8787 0.8787 4.6860 4.6860 4.8558 4.8558 16.2945 16.2945 19.6769 19.6769 21.5844 21.5844 23.3732 23.3732 k = 0.5000-0.2199 0.4568 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7364 -8.7364 0.8983 0.8983 4.6487 4.6487 4.8566 4.8566 16.3300 16.3300 19.7000 19.7000 21.5734 21.5734 23.3007 23.3007 k = 0.5000-0.2131 0.4617 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7372 -8.7372 0.9200 0.9200 4.6079 4.6079 4.8575 4.8575 16.3692 16.3692 19.7248 19.7248 21.5614 21.5614 23.2217 23.2217 k = 0.5000-0.2062 0.4666 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7380 -8.7380 0.9437 0.9437 4.5639 4.5639 4.8585 4.8585 16.4120 16.4120 19.7512 19.7512 21.5484 21.5484 23.1365 23.1365 k = 0.5000-0.1993 0.4714 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7389 -8.7389 0.9693 0.9693 4.5167 4.5167 4.8596 4.8596 16.4585 16.4585 19.7791 19.7791 21.5342 21.5342 23.0455 23.0455 k = 0.5000-0.1925 0.4763 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7398 -8.7398 0.9970 0.9970 4.4665 4.4665 4.8608 4.8608 16.5086 16.5086 19.8083 19.8083 21.5190 21.5190 22.9490 22.9490 k = 0.5000-0.1856 0.4811 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7408 -8.7408 1.0267 1.0267 4.4135 4.4135 4.8620 4.8620 16.5622 16.5622 19.8387 19.8387 21.5029 21.5029 22.8473 22.8473 k = 0.5000-0.1787 0.4860 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7418 -8.7418 1.0583 1.0583 4.3578 4.3578 4.8633 4.8633 16.6193 16.6193 19.8701 19.8701 21.4857 21.4857 22.7408 22.7408 k = 0.5000-0.1718 0.4909 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7428 -8.7428 1.0919 1.0919 4.2996 4.2996 4.8646 4.8646 16.6800 16.6800 19.9023 19.9023 21.4675 21.4675 22.6298 22.6298 k = 0.5000-0.1650 0.4957 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7439 -8.7439 1.1274 1.1274 4.2390 4.2390 4.8659 4.8659 16.7442 16.7442 19.9353 19.9353 21.4484 21.4484 22.5147 22.5147 k = 0.5000-0.1581 0.5006 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.7450 -8.7450 1.1648 1.1648 4.1763 4.1763 4.8673 4.8673 16.8117 16.8117 19.9689 19.9689 21.4284 21.4284 22.3958 22.3958 k = 0.5000-0.1512 0.5055 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7460 -8.7460 1.2041 1.2041 4.1116 4.1116 4.8687 4.8687 16.8827 16.8827 20.0031 20.0031 21.4075 21.4075 22.2735 22.2735 k = 0.5000-0.1443 0.5103 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.7471 -8.7471 1.2453 1.2453 4.0450 4.0450 4.8700 4.8700 16.9570 16.9570 20.0377 20.0377 21.3857 21.3857 22.1480 22.1480 k = 0.5000-0.1375 0.5152 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7482 -8.7482 1.2883 1.2883 3.9768 3.9768 4.8714 4.8714 17.0346 17.0346 20.0727 20.0727 21.3630 21.3630 22.0198 22.0198 k = 0.5000-0.1306 0.5200 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7493 -8.7493 1.3331 1.3331 3.9071 3.9071 4.8728 4.8728 17.1155 17.1155 20.1079 20.1079 21.3396 21.3396 21.8891 21.8891 k = 0.5000-0.1237 0.5249 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7504 -8.7504 1.3797 1.3797 3.8361 3.8361 4.8742 4.8742 17.1995 17.1995 20.1434 20.1434 21.3154 21.3154 21.7563 21.7563 k = 0.5000-0.1168 0.5298 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7514 -8.7514 1.4281 1.4281 3.7638 3.7638 4.8755 4.8755 17.2867 17.2867 20.1790 20.1790 21.2904 21.2904 21.6216 21.6216 k = 0.5000-0.1100 0.5346 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7525 -8.7525 1.4783 1.4783 3.6905 3.6905 4.8768 4.8768 17.3768 17.3768 20.2147 20.2147 21.2646 21.2646 21.4854 21.4854 k = 0.5000-0.1031 0.5395 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7535 -8.7535 1.5301 1.5301 3.6163 3.6163 4.8781 4.8781 17.4700 17.4700 20.2505 20.2505 21.2380 21.2380 21.3480 21.3480 k = 0.5000-0.0962 0.5443 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.7544 -8.7544 1.5836 1.5836 3.5413 3.5413 4.8793 4.8793 17.5660 17.5660 20.2863 20.2863 21.2041 21.2041 21.2164 21.2164 k = 0.5000-0.0894 0.5492 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.7554 -8.7554 1.6387 1.6387 3.4658 3.4658 4.8804 4.8804 17.6648 17.6648 20.3221 20.3221 21.0698 21.0698 21.1839 21.1839 k = 0.5000-0.0825 0.5541 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.7562 -8.7562 1.6954 1.6954 3.3898 3.3898 4.8815 4.8815 17.7662 17.7662 20.3579 20.3579 20.9305 20.9305 21.1554 21.1554 k = 0.5000-0.0756 0.5589 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.7571 -8.7571 1.7537 1.7537 3.3134 3.3134 4.8826 4.8826 17.8702 17.8702 20.3936 20.3936 20.7911 20.7911 21.1264 21.1264 k = 0.5000-0.0687 0.5638 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7578 -8.7578 1.8135 1.8135 3.2368 3.2368 4.8835 4.8835 17.9764 17.9764 20.4292 20.4292 20.6519 20.6519 21.0970 21.0970 k = 0.5000-0.0619 0.5686 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7585 -8.7585 1.8747 1.8747 3.1601 3.1601 4.8844 4.8844 18.0848 18.0848 20.4642 20.4642 20.5138 20.5138 21.0670 21.0670 k = 0.5000-0.0550 0.5735 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7592 -8.7592 1.9374 1.9374 3.0835 3.0835 4.8852 4.8852 18.1950 18.1950 20.3754 20.3754 20.5005 20.5005 21.0365 21.0365 k = 0.5000-0.0481 0.5784 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7598 -8.7598 2.0014 2.0014 3.0070 3.0070 4.8860 4.8860 18.3067 18.3067 20.2395 20.2395 20.5356 20.5356 21.0055 21.0055 k = 0.5000-0.0412 0.5832 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7603 -8.7603 2.0667 2.0667 2.9307 2.9307 4.8866 4.8866 18.4191 18.4191 20.1058 20.1058 20.5707 20.5707 20.9742 20.9742 k = 0.5000-0.0344 0.5881 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7607 -8.7607 2.1333 2.1333 2.8547 2.8547 4.8872 4.8872 18.5315 18.5315 19.9753 19.9753 20.6056 20.6056 20.9424 20.9424 k = 0.5000-0.0275 0.5929 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7611 -8.7611 2.2011 2.2011 2.7792 2.7792 4.8876 4.8876 18.6420 18.6420 19.8497 19.8497 20.6403 20.6403 20.9102 20.9102 k = 0.5000-0.0206 0.5978 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.7614 -8.7614 2.2701 2.2701 2.7043 2.7043 4.8880 4.8880 18.7478 18.7478 19.7322 19.7322 20.6748 20.6748 20.8777 20.8777 k = 0.5000-0.0137 0.6027 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.7616 -8.7616 2.3401 2.3401 2.6299 2.6299 4.8882 4.8882 18.8427 18.8427 19.6289 19.6289 20.7089 20.7089 20.8450 20.8450 k = 0.5000-0.0069 0.6075 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7617 -8.7617 2.4110 2.4110 2.5564 2.5564 4.8884 4.8884 18.9143 18.9143 19.5522 19.5522 20.7424 20.7424 20.8123 20.8123 k = 0.5000 0.0000 0.6124 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7617 -8.7617 2.4767 2.4767 2.4898 2.4898 4.8884 4.8884 18.9424 18.9424 19.5224 19.5224 20.7681 20.7681 20.7869 20.7869 k = 0.5000 0.0000 0.6124 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7617 -8.7617 2.4767 2.4767 2.4898 2.4898 4.8884 4.8884 18.9424 18.9424 19.5224 19.5224 20.7681 20.7681 20.7869 20.7869 k = 0.4958 0.0072 0.6124 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7621 -8.7621 2.4328 2.4328 2.5344 2.5344 4.8896 4.8896 18.9276 18.9276 19.5348 19.5348 20.7544 20.7544 20.8028 20.8028 k = 0.4917 0.0144 0.6124 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.7631 -8.7631 2.3844 2.3844 2.5845 2.5845 4.8931 4.8931 18.8854 18.8854 19.5697 19.5697 20.7391 20.7391 20.8250 20.8250 k = 0.4875 0.0217 0.6124 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7647 -8.7647 2.3373 2.3373 2.6342 2.6342 4.8992 4.8992 18.8221 18.8221 19.6210 19.6210 20.7281 20.7281 20.8473 20.8473 k = 0.4833 0.0289 0.6124 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7668 -8.7668 2.2915 2.2915 2.6829 2.6829 4.9079 4.9079 18.7440 18.7440 19.6823 19.6823 20.7221 20.7221 20.8694 20.8694 k = 0.4792 0.0361 0.6124 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7695 -8.7695 2.2473 2.2473 2.7305 2.7305 4.9192 4.9192 18.6561 18.6561 19.7485 19.7485 20.7217 20.7217 20.8909 20.8909 k = 0.4750 0.0433 0.6124 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7725 -8.7725 2.2045 2.2045 2.7765 2.7765 4.9333 4.9333 18.5615 18.5615 19.8161 19.8161 20.7273 20.7273 20.9119 20.9119 k = 0.4708 0.0505 0.6124 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.7759 -8.7759 2.1633 2.1633 2.8207 2.8207 4.9501 4.9501 18.4625 18.4625 19.8825 19.8825 20.7396 20.7396 20.9324 20.9324 k = 0.4667 0.0577 0.6124 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.7796 -8.7796 2.1237 2.1237 2.8630 2.8630 4.9696 4.9696 18.3607 18.3607 19.9453 19.9453 20.7594 20.7594 20.9522 20.9522 k = 0.4625 0.0650 0.6124 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.7835 -8.7835 2.0857 2.0857 2.9030 2.9030 4.9917 4.9917 18.2571 18.2571 20.0030 20.0030 20.7875 20.7875 20.9713 20.9713 k = 0.4583 0.0722 0.6124 ( 1146 PWs) bands (ev): -91.6816 -91.6816 -8.7877 -8.7877 2.0492 2.0492 2.9407 2.9407 5.0164 5.0164 18.1529 18.1529 20.0542 20.0542 20.8243 20.8243 20.9898 20.9898 k = 0.4542 0.0794 0.6124 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7920 -8.7920 2.0144 2.0144 2.9759 2.9759 5.0433 5.0433 18.0489 18.0489 20.0981 20.0981 20.8700 20.8700 21.0075 21.0075 k = 0.4500 0.0866 0.6124 ( 1146 PWs) bands (ev): -91.6816 -91.6816 -8.7963 -8.7963 1.9813 1.9813 3.0086 3.0086 5.0723 5.0723 17.9457 17.9457 20.1347 20.1347 20.9239 20.9239 21.0245 21.0245 k = 0.4458 0.0938 0.6124 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8007 -8.8007 1.9499 1.9499 3.0388 3.0388 5.1031 5.1031 17.8442 17.8442 20.1645 20.1645 20.9850 20.9850 21.0411 21.0411 k = 0.4417 0.1010 0.6124 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8052 -8.8052 1.9201 1.9201 3.0664 3.0664 5.1353 5.1353 17.7447 17.7447 20.1882 20.1882 21.0475 21.0475 21.0613 21.0613 k = 0.4375 0.1083 0.6124 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8095 -8.8095 1.8921 1.8921 3.0915 3.0915 5.1687 5.1687 17.6480 17.6480 20.2069 20.2069 21.0692 21.0692 21.1259 21.1259 k = 0.4333 0.1155 0.6124 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.8138 -8.8138 1.8658 1.8658 3.1141 3.1141 5.2027 5.2027 17.5546 17.5546 20.2215 20.2215 21.0833 21.0833 21.2004 21.2004 k = 0.4292 0.1227 0.6124 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.8179 -8.8179 1.8413 1.8413 3.1345 3.1345 5.2369 5.2369 17.4650 17.4650 20.2328 20.2328 21.0962 21.0962 21.2767 21.2767 k = 0.4250 0.1299 0.6124 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.8219 -8.8219 1.8185 1.8185 3.1527 3.1527 5.2710 5.2710 17.3798 17.3798 20.2416 20.2416 21.1081 21.1081 21.3533 21.3533 k = 0.4208 0.1371 0.6124 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.8257 -8.8257 1.7975 1.7975 3.1687 3.1687 5.3045 5.3045 17.2994 17.2994 20.2485 20.2485 21.1191 21.1191 21.4291 21.4291 k = 0.4167 0.1443 0.6124 ( 1137 PWs) bands (ev): -91.6816 -91.6816 -8.8293 -8.8293 1.7782 1.7782 3.1829 3.1829 5.3368 5.3368 17.2243 17.2243 20.2538 20.2538 21.1292 21.1292 21.5029 21.5029 k = 0.4125 0.1516 0.6124 ( 1137 PWs) bands (ev): -91.6816 -91.6816 -8.8326 -8.8326 1.7608 1.7608 3.1952 3.1952 5.3676 5.3676 17.1549 17.1549 20.2579 20.2579 21.1383 21.1383 21.5737 21.5737 k = 0.4083 0.1588 0.6124 ( 1139 PWs) bands (ev): -91.6816 -91.6816 -8.8356 -8.8356 1.7452 1.7452 3.2059 3.2059 5.3965 5.3965 17.0916 17.0916 20.2611 20.2611 21.1465 21.1465 21.6405 21.6405 k = 0.4042 0.1660 0.6124 ( 1137 PWs) bands (ev): -91.6816 -91.6816 -8.8383 -8.8383 1.7314 1.7314 3.2150 3.2150 5.4230 5.4230 17.0348 17.0348 20.2636 20.2636 21.1538 21.1538 21.7022 21.7022 k = 0.4000 0.1732 0.6124 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.8407 -8.8407 1.7194 1.7194 3.2227 3.2227 5.4468 5.4468 16.9849 16.9849 20.2654 20.2654 21.1601 21.1601 21.7581 21.7581 k = 0.3958 0.1804 0.6124 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.8428 -8.8428 1.7093 1.7093 3.2290 3.2290 5.4675 5.4675 16.9421 16.9421 20.2669 20.2669 21.1654 21.1654 21.8071 21.8071 k = 0.3917 0.1876 0.6124 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.8445 -8.8445 1.7010 1.7010 3.2340 3.2340 5.4848 5.4848 16.9067 16.9067 20.2679 20.2679 21.1698 21.1698 21.8485 21.8485 k = 0.3875 0.1949 0.6124 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8459 -8.8459 1.6945 1.6945 3.2379 3.2379 5.4986 5.4986 16.8789 16.8789 20.2687 20.2687 21.1732 21.1732 21.8816 21.8816 k = 0.3833 0.2021 0.6124 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8468 -8.8468 1.6899 1.6899 3.2406 3.2406 5.5085 5.5085 16.8590 16.8590 20.2692 20.2692 21.1757 21.1757 21.9057 21.9057 k = 0.3792 0.2093 0.6124 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8474 -8.8474 1.6871 1.6871 3.2422 3.2422 5.5146 5.5146 16.8469 16.8469 20.2695 20.2695 21.1771 21.1771 21.9203 21.9203 k = 0.3750 0.2165 0.6124 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8476 -8.8476 1.6862 1.6862 3.2427 3.2427 5.5166 5.5166 16.8429 16.8429 20.2696 20.2696 21.1776 21.1776 21.9252 21.9252 k = 0.3750 0.2165 0.6124 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8476 -8.8476 1.6862 1.6862 3.2427 3.2427 5.5166 5.5166 16.8429 16.8429 20.2696 20.2696 21.1776 21.1776 21.9252 21.9252 k = 0.3707 0.2140 0.6054 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8608 -8.8608 1.7460 1.7460 3.1771 3.1771 5.5589 5.5589 16.8587 16.8587 20.2877 20.2877 21.1510 21.1510 21.8329 21.8329 k = 0.3665 0.2116 0.5985 ( 1135 PWs) bands (ev): -91.6817 -91.6817 -8.8752 -8.8752 1.8075 1.8075 3.1136 3.1136 5.6022 5.6022 16.8733 16.8733 20.3041 20.3041 21.1241 21.1241 21.7409 21.7409 k = 0.3622 0.2091 0.5915 ( 1135 PWs) bands (ev): -91.6817 -91.6817 -8.8906 -8.8906 1.8707 1.8707 3.0526 3.0526 5.6462 5.6462 16.8866 16.8866 20.3188 20.3188 21.0970 21.0970 21.6492 21.6492 k = 0.3580 0.2067 0.5845 ( 1135 PWs) bands (ev): -91.6817 -91.6817 -8.9071 -8.9071 1.9355 1.9355 2.9941 2.9941 5.6910 5.6910 16.8989 16.8989 20.3319 20.3319 21.0699 21.0699 21.5582 21.5582 k = 0.3537 0.2042 0.5776 ( 1135 PWs) bands (ev): -91.6817 -91.6817 -8.9249 -8.9249 2.0020 2.0020 2.9384 2.9384 5.7365 5.7365 16.9100 16.9100 20.3434 20.3434 21.0427 21.0427 21.4681 21.4681 k = 0.3494 0.2017 0.5706 ( 1135 PWs) bands (ev): -91.6817 -91.6817 -8.9438 -8.9438 2.0700 2.0700 2.8857 2.8857 5.7827 5.7827 16.9200 16.9200 20.3534 20.3534 21.0156 21.0156 21.3790 21.3790 k = 0.3452 0.1993 0.5637 ( 1137 PWs) bands (ev): -91.6817 -91.6817 -8.9640 -8.9640 2.1396 2.1396 2.8360 2.8360 5.8294 5.8294 16.9290 16.9290 20.3622 20.3622 20.9887 20.9887 21.2912 21.2912 k = 0.3409 0.1968 0.5567 ( 1141 PWs) bands (ev): -91.6817 -91.6817 -8.9855 -8.9855 2.2107 2.2107 2.7895 2.7895 5.8766 5.8766 16.9369 16.9369 20.3696 20.3696 20.9619 20.9619 21.2048 21.2048 k = 0.3366 0.1944 0.5497 ( 1141 PWs) bands (ev): -91.6817 -91.6817 -9.0082 -9.0082 2.2832 2.2832 2.7463 2.7463 5.9243 5.9243 16.9439 16.9439 20.3760 20.3760 20.9353 20.9353 21.1200 21.1200 k = 0.3324 0.1919 0.5428 ( 1141 PWs) bands (ev): -91.6818 -91.6818 -9.0323 -9.0323 2.3571 2.3571 2.7067 2.7067 5.9723 5.9723 16.9500 16.9500 20.3814 20.3814 20.9092 20.9092 21.0371 21.0371 k = 0.3281 0.1894 0.5358 ( 1141 PWs) bands (ev): -91.6818 -91.6818 -9.0577 -9.0577 2.4324 2.4324 2.6706 2.6706 6.0206 6.0206 16.9551 16.9551 20.3860 20.3860 20.8834 20.8834 20.9563 20.9563 k = 0.3239 0.1870 0.5289 ( 1139 PWs) bands (ev): -91.6818 -91.6818 -9.0844 -9.0844 2.5089 2.5089 2.6383 2.6383 6.0691 6.0691 16.9592 16.9592 20.3899 20.3899 20.8575 20.8575 20.8783 20.8783 k = 0.3196 0.1845 0.5219 ( 1135 PWs) bands (ev): -91.6818 -91.6818 -9.1124 -9.1124 2.5854 2.5854 2.6111 2.6111 6.1178 6.1178 16.9625 16.9625 20.3932 20.3932 20.8002 20.8002 20.8346 20.8346 k = 0.3153 0.1821 0.5149 ( 1131 PWs) bands (ev): -91.6818 -91.6818 -9.1418 -9.1418 2.5838 2.5838 2.6670 2.6670 6.1665 6.1665 16.9647 16.9647 20.3961 20.3961 20.7266 20.7266 20.8104 20.8104 k = 0.3111 0.1796 0.5080 ( 1131 PWs) bands (ev): -91.6818 -91.6818 -9.1725 -9.1725 2.5630 2.5630 2.7470 2.7470 6.2151 6.2151 16.9661 16.9661 20.3987 20.3987 20.6555 20.6555 20.7873 20.7873 k = 0.3068 0.1771 0.5010 ( 1131 PWs) bands (ev): -91.6819 -91.6819 -9.2045 -9.2045 2.5460 2.5460 2.8285 2.8285 6.2637 6.2637 16.9664 16.9664 20.4011 20.4011 20.5872 20.5872 20.7651 20.7651 k = 0.3026 0.1747 0.4941 ( 1131 PWs) bands (ev): -91.6819 -91.6819 -9.2378 -9.2378 2.5329 2.5329 2.9110 2.9110 6.3120 6.3120 16.9657 16.9657 20.4036 20.4036 20.5220 20.5220 20.7439 20.7439 k = 0.2983 0.1722 0.4871 ( 1131 PWs) bands (ev): -91.6819 -91.6819 -9.2724 -9.2724 2.5238 2.5238 2.9946 2.9946 6.3601 6.3601 16.9640 16.9640 20.4060 20.4060 20.4600 20.4600 20.7239 20.7239 k = 0.2940 0.1698 0.4802 ( 1131 PWs) bands (ev): -91.6819 -91.6819 -9.3083 -9.3083 2.5187 2.5187 3.0791 3.0791 6.4078 6.4078 16.9612 16.9612 20.3991 20.3991 20.4111 20.4111 20.7049 20.7049 k = 0.2898 0.1673 0.4732 ( 1131 PWs) bands (ev): -91.6820 -91.6820 -9.3453 -9.3453 2.5177 2.5177 3.1646 3.1646 6.4550 6.4550 16.9573 16.9573 20.3453 20.3453 20.4130 20.4130 20.6873 20.6873 k = 0.2855 0.1648 0.4662 ( 1135 PWs) bands (ev): -91.6820 -91.6820 -9.3836 -9.3836 2.5207 2.5207 3.2508 3.2508 6.5017 6.5017 16.9521 16.9521 20.2937 20.2937 20.4168 20.4168 20.6710 20.6710 k = 0.2812 0.1624 0.4593 ( 1135 PWs) bands (ev): -91.6820 -91.6820 -9.4230 -9.4230 2.5277 2.5277 3.3379 3.3379 6.5478 6.5478 16.9458 16.9458 20.2458 20.2458 20.4216 20.4216 20.6563 20.6563 k = 0.2770 0.1599 0.4523 ( 1137 PWs) bands (ev): -91.6821 -91.6821 -9.4635 -9.4635 2.5388 2.5388 3.4257 3.4257 6.5932 6.5932 16.9381 16.9381 20.2018 20.2018 20.4273 20.4273 20.6430 20.6430 k = 0.2727 0.1575 0.4454 ( 1129 PWs) bands (ev): -91.6821 -91.6821 -9.5051 -9.5051 2.5539 2.5539 3.5141 3.5141 6.6378 6.6378 16.9292 16.9292 20.1618 20.1618 20.4342 20.4342 20.6315 20.6315 k = 0.2685 0.1550 0.4384 ( 1129 PWs) bands (ev): -91.6821 -91.6821 -9.5477 -9.5477 2.5730 2.5730 3.6030 3.6030 6.6815 6.6815 16.9187 16.9187 20.1259 20.1259 20.4421 20.4421 20.6218 20.6218 k = 0.2642 0.1525 0.4314 ( 1125 PWs) bands (ev): -91.6822 -91.6822 -9.5912 -9.5912 2.5961 2.5961 3.6925 3.6925 6.7243 6.7243 16.9069 16.9069 20.0943 20.0943 20.4515 20.4515 20.6139 20.6139 k = 0.2599 0.1501 0.4245 ( 1125 PWs) bands (ev): -91.6822 -91.6822 -9.6357 -9.6357 2.6230 2.6230 3.7824 3.7824 6.7660 6.7660 16.8934 16.8934 20.0671 20.0671 20.4623 20.4623 20.6081 20.6081 k = 0.2557 0.1476 0.4175 ( 1125 PWs) bands (ev): -91.6822 -91.6822 -9.6810 -9.6810 2.6538 2.6538 3.8726 3.8726 6.8066 6.8066 16.8784 16.8784 20.0443 20.0443 20.4748 20.4748 20.6043 20.6043 k = 0.2514 0.1452 0.4106 ( 1135 PWs) bands (ev): -91.6823 -91.6823 -9.7270 -9.7270 2.6885 2.6885 3.9631 3.9631 6.8460 6.8460 16.8616 16.8616 20.0262 20.0262 20.4888 20.4888 20.6027 20.6027 k = 0.2472 0.1427 0.4036 ( 1135 PWs) bands (ev): -91.6823 -91.6823 -9.7738 -9.7738 2.7269 2.7269 4.0537 4.0537 6.8843 6.8843 16.8431 16.8431 20.0127 20.0127 20.5048 20.5048 20.6035 20.6035 k = 0.2429 0.1402 0.3967 ( 1135 PWs) bands (ev): -91.6823 -91.6823 -9.8213 -9.8213 2.7690 2.7690 4.1445 4.1445 6.9212 6.9212 16.8229 16.8229 20.0039 20.0039 20.5228 20.5228 20.6067 20.6067 k = 0.2386 0.1378 0.3897 ( 1135 PWs) bands (ev): -91.6824 -91.6824 -9.8693 -9.8693 2.8147 2.8147 4.2353 4.2353 6.9567 6.9567 16.8007 16.8007 20.0000 20.0000 20.5429 20.5429 20.6124 20.6124 k = 0.2344 0.1353 0.3827 ( 1135 PWs) bands (ev): -91.6824 -91.6824 -9.9178 -9.9178 2.8640 2.8640 4.3260 4.3260 6.9909 6.9909 16.7767 16.7767 20.0010 20.0010 20.5652 20.5652 20.6208 20.6208 k = 0.2301 0.1329 0.3758 ( 1135 PWs) bands (ev): -91.6825 -91.6825 -9.9668 -9.9668 2.9168 2.9168 4.4166 4.4166 7.0236 7.0236 16.7507 16.7507 20.0069 20.0069 20.5896 20.5896 20.6320 20.6320 k = 0.2259 0.1304 0.3688 ( 1135 PWs) bands (ev): -91.6825 -91.6825 -10.0162 -10.0162 2.9730 2.9730 4.5070 4.5070 7.0548 7.0548 16.7227 16.7227 20.0178 20.0178 20.6163 20.6163 20.6463 20.6463 k = 0.2216 0.1279 0.3619 ( 1131 PWs) bands (ev): -91.6825 -91.6825 -10.0659 -10.0659 3.0325 3.0325 4.5970 4.5970 7.0844 7.0844 16.6927 16.6927 20.0337 20.0337 20.6448 20.6448 20.6640 20.6640 k = 0.2173 0.1255 0.3549 ( 1131 PWs) bands (ev): -91.6826 -91.6826 -10.1158 -10.1158 3.0953 3.0953 4.6867 4.6867 7.1125 7.1125 16.6607 16.6607 20.0546 20.0546 20.6738 20.6738 20.6868 20.6868 k = 0.2131 0.1230 0.3479 ( 1135 PWs) bands (ev): -91.6826 -91.6826 -10.1659 -10.1659 3.1612 3.1612 4.7758 4.7758 7.1390 7.1390 16.6265 16.6265 20.0806 20.0806 20.7009 20.7009 20.7171 20.7171 k = 0.2088 0.1206 0.3410 ( 1135 PWs) bands (ev): -91.6827 -91.6827 -10.2161 -10.2161 3.2301 3.2301 4.8644 4.8644 7.1640 7.1640 16.5903 16.5903 20.1117 20.1117 20.7283 20.7283 20.7530 20.7530 k = 0.2045 0.1181 0.3340 ( 1135 PWs) bands (ev): -91.6827 -91.6827 -10.2663 -10.2663 3.3021 3.3021 4.9523 4.9523 7.1873 7.1873 16.5520 16.5520 20.1478 20.1478 20.7582 20.7582 20.7923 20.7923 k = 0.2003 0.1156 0.3271 ( 1131 PWs) bands (ev): -91.6828 -91.6828 -10.3165 -10.3165 3.3768 3.3768 5.0395 5.0395 7.2090 7.2090 16.5116 16.5116 20.1890 20.1890 20.7912 20.7912 20.8346 20.8346 k = 0.1960 0.1132 0.3201 ( 1131 PWs) bands (ev): -91.6828 -91.6828 -10.3666 -10.3666 3.4544 3.4544 5.1258 5.1258 7.2291 7.2291 16.4691 16.4691 20.2351 20.2351 20.8275 20.8275 20.8798 20.8798 k = 0.1918 0.1107 0.3131 ( 1139 PWs) bands (ev): -91.6829 -91.6829 -10.4166 -10.4166 3.5346 3.5346 5.2112 5.2112 7.2476 7.2476 16.4246 16.4246 20.2862 20.2862 20.8672 20.8672 20.9275 20.9275 k = 0.1875 0.1083 0.3062 ( 1133 PWs) bands (ev): -91.6829 -91.6829 -10.4663 -10.4663 3.6174 3.6174 5.2956 5.2956 7.2645 7.2645 16.3780 16.3780 20.3422 20.3422 20.9106 20.9106 20.9782 20.9782 k = 0.1832 0.1058 0.2992 ( 1133 PWs) bands (ev): -91.6830 -91.6830 -10.5158 -10.5158 3.7026 3.7026 5.3789 5.3789 7.2799 7.2799 16.3294 16.3294 20.4030 20.4030 20.9575 20.9575 21.0316 21.0316 k = 0.1790 0.1033 0.2923 ( 1133 PWs) bands (ev): -91.6830 -91.6830 -10.5649 -10.5649 3.7901 3.7901 5.4610 5.4610 7.2937 7.2937 16.2788 16.2788 20.4686 20.4686 21.0082 21.0082 21.0876 21.0876 k = 0.1747 0.1009 0.2853 ( 1133 PWs) bands (ev): -91.6831 -91.6831 -10.6136 -10.6136 3.8799 3.8799 5.5419 5.5419 7.3061 7.3061 16.2262 16.2262 20.5388 20.5388 21.0626 21.0626 21.1464 21.1464 k = 0.1705 0.0984 0.2784 ( 1129 PWs) bands (ev): -91.6831 -91.6831 -10.6618 -10.6618 3.9718 3.9718 5.6214 5.6214 7.3170 7.3170 16.1717 16.1717 20.6137 20.6137 21.1207 21.1207 21.2078 21.2078 k = 0.1662 0.0960 0.2714 ( 1141 PWs) bands (ev): -91.6832 -91.6832 -10.7095 -10.7095 4.0656 4.0656 5.6995 5.6995 7.3265 7.3265 16.1154 16.1154 20.6929 20.6929 21.1827 21.1827 21.2718 21.2718 k = 0.1619 0.0935 0.2644 ( 1139 PWs) bands (ev): -91.6832 -91.6832 -10.7566 -10.7566 4.1613 4.1613 5.7762 5.7762 7.3347 7.3347 16.0572 16.0572 20.7765 20.7765 21.2485 21.2485 21.3384 21.3384 k = 0.1577 0.0910 0.2575 ( 1141 PWs) bands (ev): -91.6833 -91.6833 -10.8031 -10.8031 4.2588 4.2588 5.8513 5.8513 7.3415 7.3415 15.9973 15.9973 20.8642 20.8642 21.3180 21.3180 21.4076 21.4076 k = 0.1534 0.0886 0.2505 ( 1141 PWs) bands (ev): -91.6833 -91.6833 -10.8489 -10.8489 4.3578 4.3578 5.9249 5.9249 7.3472 7.3472 15.9358 15.9358 20.9560 20.9560 21.3914 21.3914 21.4793 21.4793 k = 0.1491 0.0861 0.2436 ( 1141 PWs) bands (ev): -91.6834 -91.6834 -10.8940 -10.8940 4.4583 4.4583 5.9967 5.9967 7.3516 7.3516 15.8726 15.8726 21.0517 21.0517 21.4686 21.4686 21.5534 21.5534 k = 0.1449 0.0837 0.2366 ( 1141 PWs) bands (ev): -91.6834 -91.6834 -10.9383 -10.9383 4.5601 4.5601 6.0668 6.0668 7.3550 7.3550 15.8079 15.8079 21.1511 21.1511 21.5495 21.5495 21.6300 21.6300 k = 0.1406 0.0812 0.2296 ( 1141 PWs) bands (ev): -91.6835 -91.6835 -10.9818 -10.9818 4.6631 4.6631 6.1352 6.1352 7.3572 7.3572 15.7417 15.7417 21.2540 21.2540 21.6341 21.6341 21.7088 21.7088 k = 0.1364 0.0787 0.2227 ( 1141 PWs) bands (ev): -91.6835 -91.6835 -11.0245 -11.0245 4.7670 4.7670 6.2017 6.2017 7.3585 7.3585 15.6742 15.6742 21.3602 21.3602 21.7223 21.7223 21.7900 21.7900 k = 0.1321 0.0763 0.2157 ( 1151 PWs) bands (ev): -91.6836 -91.6836 -11.0662 -11.0662 4.8719 4.8719 6.2663 6.2663 7.3589 7.3589 15.6054 15.6054 21.4695 21.4695 21.8139 21.8139 21.8732 21.8732 k = 0.1278 0.0738 0.2088 ( 1151 PWs) bands (ev): -91.6836 -91.6836 -11.1070 -11.1070 4.9774 4.9774 6.3291 6.3291 7.3585 7.3585 15.5354 15.5354 21.5818 21.5818 21.9089 21.9089 21.9586 21.9586 k = 0.1236 0.0713 0.2018 ( 1151 PWs) bands (ev): -91.6837 -91.6837 -11.1468 -11.1468 5.0835 5.0835 6.3898 6.3898 7.3572 7.3572 15.4644 15.4644 21.6966 21.6966 22.0072 22.0072 22.0461 22.0461 k = 0.1193 0.0689 0.1948 ( 1151 PWs) bands (ev): -91.6837 -91.6837 -11.1855 -11.1855 5.1899 5.1899 6.4486 6.4486 7.3553 7.3553 15.3925 15.3925 21.8139 21.8139 22.1083 22.1083 22.1357 22.1357 k = 0.1151 0.0664 0.1879 ( 1153 PWs) bands (ev): -91.6838 -91.6838 -11.2232 -11.2232 5.2964 5.2964 6.5054 6.5054 7.3527 7.3527 15.3198 15.3198 21.9332 21.9332 22.2120 22.2120 22.2273 22.2273 k = 0.1108 0.0640 0.1809 ( 1153 PWs) bands (ev): -91.6838 -91.6838 -11.2599 -11.2599 5.4029 5.4029 6.5601 6.5601 7.3496 7.3496 15.2464 15.2464 22.0544 22.0544 22.3157 22.3157 22.3233 22.3233 k = 0.1065 0.0615 0.1740 ( 1153 PWs) bands (ev): -91.6838 -91.6838 -11.2953 -11.2953 5.5092 5.5092 6.6127 6.6127 7.3459 7.3459 15.1725 15.1725 22.1771 22.1771 22.4129 22.4129 22.4297 22.4297 k = 0.1023 0.0590 0.1670 ( 1153 PWs) bands (ev): -91.6839 -91.6839 -11.3297 -11.3297 5.6150 5.6150 6.6633 6.6633 7.3418 7.3418 15.0983 15.0983 22.3010 22.3010 22.5094 22.5094 22.5404 22.5404 k = 0.0980 0.0566 0.1601 ( 1155 PWs) bands (ev): -91.6839 -91.6839 -11.3628 -11.3628 5.7200 5.7200 6.7117 6.7117 7.3374 7.3374 15.0240 15.0240 22.4258 22.4258 22.6069 22.6069 22.6529 22.6529 k = 0.0938 0.0541 0.1531 ( 1159 PWs) bands (ev): -91.6840 -91.6840 -11.3947 -11.3947 5.8241 5.8241 6.7581 6.7581 7.3327 7.3327 14.9496 14.9496 22.5510 22.5510 22.7055 22.7055 22.7667 22.7667 k = 0.0895 0.0517 0.1461 ( 1147 PWs) bands (ev): -91.6840 -91.6840 -11.4254 -11.4254 5.9271 5.9271 6.8023 6.8023 7.3277 7.3277 14.8755 14.8755 22.6764 22.6764 22.8051 22.8051 22.8814 22.8814 k = 0.0852 0.0492 0.1392 ( 1147 PWs) bands (ev): -91.6840 -91.6840 -11.4548 -11.4548 6.0286 6.0286 6.8444 6.8444 7.3225 7.3225 14.8019 14.8019 22.8014 22.8014 22.9056 22.9056 22.9963 22.9963 k = 0.0810 0.0467 0.1322 ( 1147 PWs) bands (ev): -91.6841 -91.6841 -11.4829 -11.4829 6.1283 6.1283 6.8844 6.8844 7.3172 7.3172 14.7289 14.7289 22.9257 22.9257 23.0067 23.0067 23.1109 23.1109 k = 0.0767 0.0443 0.1253 ( 1143 PWs) bands (ev): -91.6841 -91.6841 -11.5098 -11.5098 6.2260 6.2260 6.9222 6.9222 7.3119 7.3119 14.6568 14.6568 23.0487 23.0487 23.1081 23.1081 23.2246 23.2246 k = 0.0724 0.0418 0.1183 ( 1143 PWs) bands (ev): -91.6841 -91.6841 -11.5352 -11.5352 6.3213 6.3213 6.9580 6.9580 7.3066 7.3066 14.5860 14.5860 23.1700 23.1700 23.2097 23.2097 23.3368 23.3368 k = 0.0682 0.0394 0.1113 ( 1143 PWs) bands (ev): -91.6842 -91.6842 -11.5594 -11.5594 6.4140 6.4140 6.9916 6.9916 7.3012 7.3012 14.5166 14.5166 23.2889 23.2889 23.3111 23.3111 23.4467 23.4467 k = 0.0639 0.0369 0.1044 ( 1147 PWs) bands (ev): -91.6842 -91.6842 -11.5821 -11.5821 6.5036 6.5036 7.0231 7.0231 7.2960 7.2960 14.4490 14.4490 23.4045 23.4045 23.4127 23.4127 23.5536 23.5536 k = 0.0597 0.0344 0.0974 ( 1143 PWs) bands (ev): -91.6842 -91.6842 -11.6035 -11.6035 6.5900 6.5900 7.0525 7.0525 7.2910 7.2910 14.3834 14.3834 23.5102 23.5102 23.5197 23.5197 23.6568 23.6568 k = 0.0554 0.0320 0.0905 ( 1143 PWs) bands (ev): -91.6842 -91.6842 -11.6234 -11.6234 6.6725 6.6725 7.0798 7.0798 7.2861 7.2861 14.3203 14.3203 23.6091 23.6091 23.6283 23.6283 23.7556 23.7556 k = 0.0511 0.0295 0.0835 ( 1143 PWs) bands (ev): -91.6843 -91.6843 -11.6420 -11.6420 6.7511 6.7511 7.1050 7.1050 7.2814 7.2814 14.2599 14.2599 23.7057 23.7057 23.7327 23.7327 23.8493 23.8493 k = 0.0469 0.0271 0.0765 ( 1143 PWs) bands (ev): -91.6843 -91.6843 -11.6591 -11.6591 6.8251 6.8251 7.1281 7.1281 7.2771 7.2771 14.2026 14.2026 23.7996 23.7996 23.8321 23.8321 23.9371 23.9371 k = 0.0426 0.0246 0.0696 ( 1139 PWs) bands (ev): -91.6843 -91.6843 -11.6747 -11.6747 6.8943 6.8943 7.1492 7.1492 7.2731 7.2731 14.1488 14.1488 23.8902 23.8902 23.9257 23.9257 24.0185 24.0185 k = 0.0384 0.0221 0.0626 ( 1147 PWs) bands (ev): -91.6843 -91.6843 -11.6889 -11.6889 6.9582 6.9582 7.1682 7.1682 7.2695 7.2695 14.0987 14.0987 23.9768 23.9768 24.0128 24.0128 24.0931 24.0931 k = 0.0341 0.0197 0.0557 ( 1139 PWs) bands (ev): -91.6843 -91.6843 -11.7016 -11.7016 7.0165 7.0165 7.1851 7.1851 7.2663 7.2663 14.0528 14.0528 24.0586 24.0586 24.0930 24.0930 24.1603 24.1603 k = 0.0298 0.0172 0.0487 ( 1141 PWs) bands (ev): -91.6844 -91.6844 -11.7129 -11.7129 7.0687 7.0687 7.2000 7.2000 7.2637 7.2637 14.0113 14.0113 24.1344 24.1344 24.1654 24.1654 24.2199 24.2199 k = 0.0256 0.0148 0.0418 ( 1145 PWs) bands (ev): -91.6844 -91.6844 -11.7227 -11.7227 7.1143 7.1143 7.2129 7.2129 7.2616 7.2616 13.9746 13.9746 24.2033 24.2033 24.2296 24.2296 24.2717 24.2717 k = 0.0213 0.0123 0.0348 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7309 -11.7309 7.1529 7.1529 7.2240 7.2240 7.2604 7.2604 13.9430 13.9430 24.2641 24.2641 24.2849 24.2849 24.3156 24.3156 k = 0.0170 0.0098 0.0278 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7377 -11.7377 7.1835 7.1835 7.2338 7.2338 7.2599 7.2599 13.9167 13.9167 24.3156 24.3156 24.3311 24.3311 24.3515 24.3515 k = 0.0128 0.0074 0.0209 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7430 -11.7430 7.2052 7.2052 7.2432 7.2432 7.2602 7.2602 13.8960 13.8960 24.3565 24.3565 24.3677 24.3677 24.3797 24.3797 k = 0.0085 0.0049 0.0139 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7468 -11.7468 7.2177 7.2177 7.2524 7.2524 7.2610 7.2610 13.8811 13.8811 24.3856 24.3856 24.3947 24.3947 24.4002 24.4002 k = 0.0043 0.0025 0.0070 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7490 -11.7490 7.2234 7.2234 7.2595 7.2595 7.2618 7.2618 13.8721 13.8721 24.4021 24.4021 24.4116 24.4116 24.4130 24.4130 k = 0.0000 0.0000 0.0000 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7498 -11.7498 7.2250 7.2250 7.2621 7.2621 7.2621 7.2621 13.8691 13.8691 24.4074 24.4074 24.4175 24.4175 24.4175 24.4175 k = 0.0000 0.0000 0.0000 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7498 -11.7498 7.2250 7.2250 7.2621 7.2621 7.2621 7.2621 13.8691 13.8691 24.4074 24.4074 24.4175 24.4175 24.4175 24.4175 k = 0.0069 0.0040 0.0028 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7490 -11.7490 7.2234 7.2234 7.2594 7.2594 7.2619 7.2619 13.8721 13.8721 24.4022 24.4022 24.4120 24.4120 24.4126 24.4126 k = 0.0139 0.0080 0.0057 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7468 -11.7468 7.2174 7.2174 7.2524 7.2524 7.2614 7.2614 13.8811 13.8811 24.3865 24.3865 24.3960 24.3960 24.3983 24.3983 k = 0.0208 0.0120 0.0085 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7430 -11.7430 7.2032 7.2032 7.2451 7.2451 7.2605 7.2605 13.8959 13.8959 24.3594 24.3594 24.3705 24.3705 24.3745 24.3745 k = 0.0278 0.0160 0.0113 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7378 -11.7378 7.1784 7.1784 7.2399 7.2399 7.2593 7.2593 13.9164 13.9164 24.3204 24.3204 24.3365 24.3365 24.3416 24.3416 k = 0.0347 0.0200 0.0142 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7310 -11.7310 7.1439 7.1439 7.2363 7.2363 7.2577 7.2577 13.9424 13.9424 24.2701 24.2701 24.2944 24.2944 24.3000 24.3000 k = 0.0417 0.0241 0.0170 ( 1139 PWs) bands (ev): -91.6844 -91.6844 -11.7228 -11.7228 7.1008 7.1008 7.2333 7.2333 7.2558 7.2558 13.9736 13.9736 24.2092 24.2092 24.2443 24.2443 24.2502 24.2502 k = 0.0486 0.0281 0.0198 ( 1148 PWs) bands (ev): -91.6844 -91.6844 -11.7131 -11.7131 7.0499 7.0499 7.2305 7.2305 7.2535 7.2535 14.0097 14.0097 24.1383 24.1383 24.1866 24.1866 24.1926 24.1926 k = 0.0556 0.0321 0.0227 ( 1148 PWs) bands (ev): -91.6843 -91.6843 -11.7019 -11.7019 6.9918 6.9918 7.2275 7.2275 7.2509 7.2509 14.0503 14.0503 24.0585 24.0585 24.1219 24.1219 24.1279 24.1279 k = 0.0625 0.0361 0.0255 ( 1148 PWs) bands (ev): -91.6843 -91.6843 -11.6892 -11.6892 6.9269 6.9269 7.2243 7.2243 7.2480 7.2480 14.0951 14.0951 23.9704 23.9704 24.0505 24.0505 24.0565 24.0565 k = 0.0694 0.0401 0.0284 ( 1140 PWs) bands (ev): -91.6843 -91.6843 -11.6751 -11.6751 6.8556 6.8556 7.2209 7.2209 7.2448 7.2448 14.1435 14.1435 23.8751 23.8751 23.9732 23.9732 23.9791 23.9791 k = 0.0764 0.0441 0.0312 ( 1140 PWs) bands (ev): -91.6843 -91.6843 -11.6595 -11.6595 6.7782 6.7782 7.2173 7.2173 7.2413 7.2413 14.1953 14.1953 23.7734 23.7734 23.8904 23.8904 23.8963 23.8963 k = 0.0833 0.0481 0.0340 ( 1140 PWs) bands (ev): -91.6843 -91.6843 -11.6425 -11.6425 6.6952 6.6952 7.2134 7.2134 7.2375 7.2375 14.2499 14.2499 23.6665 23.6665 23.8027 23.8027 23.8085 23.8085 k = 0.0903 0.0521 0.0369 ( 1143 PWs) bands (ev): -91.6842 -91.6842 -11.6241 -11.6241 6.6069 6.6069 7.2092 7.2092 7.2334 7.2334 14.3069 14.3069 23.5553 23.5553 23.7106 23.7106 23.7164 23.7164 k = 0.0972 0.0561 0.0397 ( 1137 PWs) bands (ev): -91.6842 -91.6842 -11.6043 -11.6043 6.5138 6.5138 7.2048 7.2048 7.2291 7.2291 14.3659 14.3659 23.4409 23.4409 23.6147 23.6147 23.6203 23.6203 k = 0.1042 0.0601 0.0425 ( 1137 PWs) bands (ev): -91.6842 -91.6842 -11.5831 -11.5831 6.4162 6.4162 7.2002 7.2002 7.2245 7.2245 14.4264 14.4264 23.3244 23.3244 23.5153 23.5153 23.5209 23.5209 k = 0.1111 0.0642 0.0454 ( 1137 PWs) bands (ev): -91.6842 -91.6842 -11.5606 -11.5606 6.3144 6.3144 7.1953 7.1953 7.2196 7.2196 14.4878 14.4878 23.2065 23.2065 23.4130 23.4130 23.4185 23.4185 k = 0.1181 0.0682 0.0482 ( 1137 PWs) bands (ev): -91.6841 -91.6841 -11.5367 -11.5367 6.2087 6.2087 7.1902 7.1902 7.2146 7.2146 14.5499 14.5499 23.0884 23.0884 23.3082 23.3082 23.3136 23.3136 k = 0.1250 0.0722 0.0510 ( 1143 PWs) bands (ev): -91.6841 -91.6841 -11.5115 -11.5115 6.0996 6.0996 7.1849 7.1849 7.2093 7.2093 14.6121 14.6121 22.9708 22.9708 23.2012 23.2012 23.2065 23.2065 k = 0.1319 0.0762 0.0539 ( 1143 PWs) bands (ev): -91.6841 -91.6841 -11.4850 -11.4850 5.9873 5.9873 7.1794 7.1794 7.2038 7.2038 14.6740 14.6740 22.8545 22.8545 23.0924 23.0924 23.0975 23.0975 k = 0.1389 0.0802 0.0567 ( 1143 PWs) bands (ev): -91.6840 -91.6840 -11.4572 -11.4572 5.8721 5.8721 7.1737 7.1737 7.1981 7.1981 14.7352 14.7352 22.7402 22.7402 22.9821 22.9821 22.9872 22.9872 k = 0.1458 0.0842 0.0595 ( 1143 PWs) bands (ev): -91.6840 -91.6840 -11.4282 -11.4282 5.7544 5.7544 7.1678 7.1678 7.1923 7.1923 14.7953 14.7953 22.6287 22.6287 22.8707 22.8707 22.8757 22.8757 k = 0.1528 0.0882 0.0624 ( 1149 PWs) bands (ev): -91.6840 -91.6840 -11.3979 -11.3979 5.6343 5.6343 7.1618 7.1618 7.1863 7.1863 14.8538 14.8538 22.5206 22.5206 22.7584 22.7584 22.7633 22.7633 k = 0.1597 0.0922 0.0652 ( 1149 PWs) bands (ev): -91.6839 -91.6839 -11.3665 -11.3665 5.5121 5.5121 7.1557 7.1557 7.1801 7.1801 14.9105 14.9105 22.4163 22.4163 22.6456 22.6456 22.6503 22.6503 k = 0.1667 0.0962 0.0680 ( 1149 PWs) bands (ev): -91.6839 -91.6839 -11.3339 -11.3339 5.3882 5.3882 7.1494 7.1494 7.1739 7.1739 14.9649 14.9649 22.3166 22.3166 22.5324 22.5324 22.5371 22.5371 k = 0.1736 0.1002 0.0709 ( 1149 PWs) bands (ev): -91.6838 -91.6838 -11.3002 -11.3002 5.2627 5.2627 7.1431 7.1431 7.1675 7.1675 15.0167 15.0167 22.2217 22.2217 22.4191 22.4191 22.4237 22.4237 k = 0.1806 0.1042 0.0737 ( 1149 PWs) bands (ev): -91.6838 -91.6838 -11.2654 -11.2654 5.1359 5.1359 7.1366 7.1366 7.1611 7.1611 15.0655 15.0655 22.1322 22.1322 22.3060 22.3060 22.3104 22.3104 k = 0.1875 0.1083 0.0765 ( 1143 PWs) bands (ev): -91.6838 -91.6838 -11.2296 -11.2296 5.0079 5.0079 7.1301 7.1301 7.1546 7.1546 15.1112 15.1112 22.0483 22.0483 22.1932 22.1932 22.1975 22.1975 k = 0.1944 0.1123 0.0794 ( 1140 PWs) bands (ev): -91.6837 -91.6837 -11.1928 -11.1928 4.8791 4.8791 7.1236 7.1236 7.1480 7.1480 15.1533 15.1533 21.9704 21.9704 22.0809 22.0809 22.0851 22.0851 k = 0.2014 0.1163 0.0822 ( 1134 PWs) bands (ev): -91.6837 -91.6837 -11.1550 -11.1550 4.7496 4.7496 7.1170 7.1170 7.1414 7.1414 15.1917 15.1917 21.8987 21.8987 21.9694 21.9694 21.9734 21.9734 k = 0.2083 0.1203 0.0851 ( 1134 PWs) bands (ev): -91.6836 -91.6836 -11.1163 -11.1163 4.6196 4.6196 7.1103 7.1103 7.1347 7.1347 15.2262 15.2262 21.8331 21.8331 21.8591 21.8591 21.8626 21.8626 k = 0.2153 0.1243 0.0879 ( 1134 PWs) bands (ev): -91.6836 -91.6836 -11.0768 -11.0768 4.4892 4.4892 7.1037 7.1037 7.1281 7.1281 15.2566 15.2566 21.7480 21.7480 21.7527 21.7527 21.7759 21.7759 k = 0.2222 0.1283 0.0907 ( 1134 PWs) bands (ev): -91.6835 -91.6835 -11.0364 -11.0364 4.3588 4.3588 7.0970 7.0970 7.1214 7.1214 15.2829 15.2829 21.6399 21.6399 21.6441 21.6441 21.7235 21.7235 k = 0.2292 0.1323 0.0936 ( 1134 PWs) bands (ev): -91.6835 -91.6835 -10.9953 -10.9953 4.2284 4.2284 7.0904 7.0904 7.1148 7.1148 15.3049 15.3049 21.5327 21.5327 21.5367 21.5367 21.6781 21.6781 k = 0.2361 0.1363 0.0964 ( 1134 PWs) bands (ev): -91.6834 -91.6834 -10.9535 -10.9535 4.0983 4.0983 7.0838 7.0838 7.1082 7.1082 15.3226 15.3226 21.4269 21.4269 21.4308 21.4308 21.6395 21.6395 k = 0.2431 0.1403 0.0992 ( 1134 PWs) bands (ev): -91.6834 -91.6834 -10.9110 -10.9110 3.9686 3.9686 7.0772 7.0772 7.1016 7.1016 15.3360 15.3360 21.3227 21.3227 21.3264 21.3264 21.6074 21.6074 k = 0.2500 0.1443 0.1021 ( 1131 PWs) bands (ev): -91.6833 -91.6833 -10.8680 -10.8680 3.8396 3.8396 7.0707 7.0707 7.0951 7.0951 15.3453 15.3453 21.2201 21.2201 21.2237 21.2237 21.5818 21.5818 k = 0.2569 0.1483 0.1049 ( 1131 PWs) bands (ev): -91.6833 -91.6833 -10.8245 -10.8245 3.7113 3.7113 7.0643 7.0643 7.0887 7.0887 15.3505 15.3505 21.1192 21.1192 21.1228 21.1228 21.5625 21.5625 k = 0.2639 0.1524 0.1077 ( 1131 PWs) bands (ev): -91.6832 -91.6832 -10.7805 -10.7805 3.5839 3.5839 7.0580 7.0580 7.0823 7.0823 15.3518 15.3518 21.0203 21.0203 21.0238 21.0238 21.5492 21.5492 k = 0.2708 0.1564 0.1106 ( 1128 PWs) bands (ev): -91.6832 -91.6832 -10.7362 -10.7362 3.4577 3.4577 7.0517 7.0517 7.0761 7.0761 15.3493 15.3493 20.9233 20.9233 20.9267 20.9267 21.5416 21.5416 k = 0.2778 0.1604 0.1134 ( 1140 PWs) bands (ev): -91.6832 -91.6832 -10.6916 -10.6916 3.3327 3.3327 7.0455 7.0455 7.0699 7.0699 15.3434 15.3434 20.8284 20.8284 20.8317 20.8317 21.5393 21.5393 k = 0.2847 0.1644 0.1162 ( 1146 PWs) bands (ev): -91.6831 -91.6831 -10.6467 -10.6467 3.2092 3.2092 7.0395 7.0395 7.0639 7.0639 15.3341 15.3341 20.7356 20.7356 20.7388 20.7388 21.5422 21.5422 k = 0.2917 0.1684 0.1191 ( 1143 PWs) bands (ev): -91.6831 -91.6831 -10.6018 -10.6018 3.0872 3.0872 7.0336 7.0336 7.0580 7.0580 15.3219 15.3219 20.6450 20.6450 20.6482 20.6482 21.5498 21.5498 k = 0.2986 0.1724 0.1219 ( 1149 PWs) bands (ev): -91.6830 -91.6830 -10.5568 -10.5568 2.9671 2.9671 7.0278 7.0278 7.0522 7.0522 15.3070 15.3070 20.5568 20.5568 20.5599 20.5599 21.5617 21.5617 k = 0.3056 0.1764 0.1247 ( 1149 PWs) bands (ev): -91.6830 -91.6830 -10.5118 -10.5118 2.8489 2.8489 7.0222 7.0222 7.0465 7.0465 15.2897 15.2897 20.4710 20.4710 20.4740 20.4740 21.5775 21.5775 k = 0.3125 0.1804 0.1276 ( 1149 PWs) bands (ev): -91.6829 -91.6829 -10.4670 -10.4670 2.7328 2.7328 7.0167 7.0167 7.0410 7.0410 15.2702 15.2702 20.3875 20.3875 20.3905 20.3905 21.5968 21.5968 k = 0.3194 0.1844 0.1304 ( 1149 PWs) bands (ev): -91.6829 -91.6829 -10.4224 -10.4224 2.6189 2.6189 7.0113 7.0113 7.0357 7.0357 15.2489 15.2489 20.3067 20.3067 20.3095 20.3095 21.6192 21.6192 k = 0.3264 0.1884 0.1332 ( 1149 PWs) bands (ev): -91.6829 -91.6829 -10.3782 -10.3782 2.5075 2.5075 7.0061 7.0061 7.0305 7.0305 15.2261 15.2261 20.2283 20.2283 20.2312 20.2312 21.6443 21.6443 k = 0.3333 0.1925 0.1361 ( 1149 PWs) bands (ev): -91.6828 -91.6828 -10.3344 -10.3344 2.3987 2.3987 7.0011 7.0011 7.0255 7.0255 15.2020 15.2020 20.1526 20.1526 20.1554 20.1554 21.6717 21.6717 k = 0.3403 0.1965 0.1389 ( 1149 PWs) bands (ev): -91.6828 -91.6828 -10.2911 -10.2911 2.2927 2.2927 6.9963 6.9963 7.0207 7.0207 15.1770 15.1770 20.0796 20.0796 20.0824 20.0824 21.7010 21.7010 k = 0.3472 0.2005 0.1418 ( 1143 PWs) bands (ev): -91.6827 -91.6827 -10.2485 -10.2485 2.1896 2.1896 6.9917 6.9917 7.0160 7.0160 15.1512 15.1512 20.0094 20.0094 20.0120 20.0120 21.7318 21.7318 k = 0.3542 0.2045 0.1446 ( 1143 PWs) bands (ev): -91.6827 -91.6827 -10.2067 -10.2067 2.0896 2.0896 6.9872 6.9872 7.0116 7.0116 15.1250 15.1250 19.9419 19.9419 19.9445 19.9445 21.7638 21.7638 k = 0.3611 0.2085 0.1474 ( 1143 PWs) bands (ev): -91.6827 -91.6827 -10.1657 -10.1657 1.9928 1.9928 6.9829 6.9829 7.0073 7.0073 15.0986 15.0986 19.8773 19.8773 19.8798 19.8798 21.7965 21.7965 k = 0.3681 0.2125 0.1503 ( 1143 PWs) bands (ev): -91.6826 -91.6826 -10.1258 -10.1258 1.8994 1.8994 6.9788 6.9788 7.0032 7.0032 15.0723 15.0723 19.8156 19.8156 19.8180 19.8180 21.8296 21.8296 k = 0.3750 0.2165 0.1531 ( 1143 PWs) bands (ev): -91.6826 -91.6826 -10.0869 -10.0869 1.8097 1.8097 6.9749 6.9749 6.9993 6.9993 15.0461 15.0461 19.7567 19.7567 19.7592 19.7592 21.8629 21.8629 k = 0.3819 0.2205 0.1559 ( 1143 PWs) bands (ev): -91.6826 -91.6826 -10.0493 -10.0493 1.7237 1.7237 6.9713 6.9713 6.9956 6.9956 15.0204 15.0204 19.7009 19.7009 19.7033 19.7033 21.8961 21.8961 k = 0.3889 0.2245 0.1588 ( 1149 PWs) bands (ev): -91.6825 -91.6825 -10.0130 -10.0130 1.6415 1.6415 6.9678 6.9678 6.9921 6.9921 14.9953 14.9953 19.6480 19.6480 19.6503 19.6503 21.9287 21.9287 k = 0.3958 0.2285 0.1616 ( 1149 PWs) bands (ev): -91.6825 -91.6825 -9.9782 -9.9782 1.5635 1.5635 6.9645 6.9645 6.9888 6.9888 14.9709 14.9709 19.5982 19.5982 19.6005 19.6005 21.9606 21.9606 k = 0.4028 0.2325 0.1644 ( 1149 PWs) bands (ev): -91.6825 -91.6825 -9.9450 -9.9450 1.4896 1.4896 6.9614 6.9614 6.9858 6.9858 14.9475 14.9475 19.5514 19.5514 19.5537 19.5537 21.9917 21.9917 k = 0.4097 0.2366 0.1673 ( 1149 PWs) bands (ev): -91.6825 -91.6825 -9.9135 -9.9135 1.4201 1.4201 6.9585 6.9585 6.9829 6.9829 14.9251 14.9251 19.5077 19.5077 19.5100 19.5100 22.0215 22.0215 k = 0.4167 0.2406 0.1701 ( 1149 PWs) bands (ev): -91.6824 -91.6824 -9.8837 -9.8837 1.3551 1.3551 6.9559 6.9559 6.9802 6.9802 14.9039 14.9039 19.4672 19.4672 19.4694 19.4694 22.0500 22.0500 k = 0.4236 0.2446 0.1729 ( 1149 PWs) bands (ev): -91.6824 -91.6824 -9.8559 -9.8559 1.2947 1.2947 6.9534 6.9534 6.9778 6.9778 14.8841 14.8841 19.4298 19.4298 19.4320 19.4320 22.0768 22.0768 k = 0.4306 0.2486 0.1758 ( 1143 PWs) bands (ev): -91.6824 -91.6824 -9.8302 -9.8302 1.2391 1.2391 6.9512 6.9512 6.9756 6.9756 14.8656 14.8656 19.3956 19.3956 19.3977 19.3977 22.1020 22.1020 k = 0.4375 0.2526 0.1786 ( 1143 PWs) bands (ev): -91.6824 -91.6824 -9.8065 -9.8065 1.1884 1.1884 6.9492 6.9492 6.9735 6.9735 14.8487 14.8487 19.3646 19.3646 19.3667 19.3667 22.1252 22.1252 k = 0.4444 0.2566 0.1814 ( 1143 PWs) bands (ev): -91.6823 -91.6823 -9.7851 -9.7851 1.1427 1.1427 6.9473 6.9473 6.9717 6.9717 14.8333 14.8333 19.3368 19.3368 19.3388 19.3388 22.1463 22.1463 k = 0.4514 0.2606 0.1843 ( 1143 PWs) bands (ev): -91.6823 -91.6823 -9.7659 -9.7659 1.1021 1.1021 6.9457 6.9457 6.9701 6.9701 14.8195 14.8195 19.3122 19.3122 19.3142 19.3142 22.1653 22.1653 k = 0.4583 0.2646 0.1871 ( 1149 PWs) bands (ev): -91.6823 -91.6823 -9.7492 -9.7492 1.0668 1.0668 6.9443 6.9443 6.9687 6.9687 14.8075 14.8075 19.2908 19.2908 19.2929 19.2929 22.1819 22.1819 k = 0.4653 0.2686 0.1899 ( 1149 PWs) bands (ev): -91.6823 -91.6823 -9.7349 -9.7349 1.0367 1.0367 6.9432 6.9432 6.9675 6.9675 14.7972 14.7972 19.2728 19.2728 19.2748 19.2748 22.1961 22.1961 k = 0.4722 0.2726 0.1928 ( 1155 PWs) bands (ev): -91.6823 -91.6823 -9.7231 -9.7231 1.0119 1.0119 6.9422 6.9422 6.9666 6.9666 14.7888 14.7888 19.2580 19.2580 19.2600 19.2600 22.2078 22.2078 k = 0.4792 0.2766 0.1956 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.7138 -9.7138 0.9927 0.9927 6.9414 6.9414 6.9658 6.9658 14.7822 14.7822 19.2464 19.2464 19.2484 19.2484 22.2170 22.2170 k = 0.4861 0.2807 0.1985 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.7072 -9.7072 0.9788 0.9788 6.9409 6.9409 6.9653 6.9653 14.7774 14.7774 19.2382 19.2382 19.2402 19.2402 22.2236 22.2236 k = 0.4931 0.2847 0.2013 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.7032 -9.7032 0.9705 0.9705 6.9406 6.9406 6.9650 6.9650 14.7746 14.7746 19.2332 19.2332 19.2352 19.2352 22.2276 22.2276 k = 0.5000 0.2887 0.2041 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.7019 -9.7019 0.9678 0.9678 6.9405 6.9405 6.9649 6.9649 14.7736 14.7736 19.2316 19.2316 19.2336 19.2336 22.2289 22.2289 k = 0.5000 0.2887 0.2041 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.7019 -9.7019 0.9678 0.9678 6.9405 6.9405 6.9649 6.9649 14.7736 14.7736 19.2316 19.2316 19.2336 19.2336 22.2289 22.2289 k = 0.5025 0.2816 0.2081 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.7013 -9.7013 0.9685 0.9685 6.9375 6.9375 6.9621 6.9621 14.7781 14.7781 19.2314 19.2314 19.2348 19.2348 22.2282 22.2282 k = 0.5049 0.2745 0.2121 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.6996 -9.6996 0.9706 0.9706 6.9270 6.9270 6.9553 6.9553 14.7914 14.7914 19.2290 19.2290 19.2402 19.2402 22.2262 22.2262 k = 0.5074 0.2674 0.2161 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.6967 -9.6967 0.9742 0.9742 6.9066 6.9066 6.9471 6.9471 14.8134 14.8134 19.2246 19.2246 19.2495 19.2495 22.2228 22.2228 k = 0.5098 0.2604 0.2201 ( 1154 PWs) bands (ev): -91.6823 -91.6823 -9.6927 -9.6927 0.9791 0.9791 6.8760 6.8760 6.9381 6.9381 14.8440 14.8440 19.2186 19.2186 19.2625 19.2625 22.2181 22.2181 k = 0.5123 0.2533 0.2241 ( 1148 PWs) bands (ev): -91.6823 -91.6823 -9.6876 -9.6876 0.9855 0.9855 6.8358 6.8358 6.9278 6.9278 14.8827 14.8827 19.2110 19.2110 19.2793 19.2793 22.2121 22.2121 k = 0.5147 0.2462 0.2281 ( 1146 PWs) bands (ev): -91.6823 -91.6823 -9.6813 -9.6813 0.9933 0.9933 6.7869 6.7869 6.9158 6.9158 14.9293 14.9293 19.2019 19.2019 19.2996 19.2996 22.2046 22.2046 k = 0.5172 0.2391 0.2321 ( 1146 PWs) bands (ev): -91.6823 -91.6823 -9.6740 -9.6740 1.0025 1.0025 6.7298 6.7298 6.9020 6.9020 14.9832 14.9832 19.1915 19.1915 19.3234 19.3234 22.1957 22.1957 k = 0.5196 0.2321 0.2361 ( 1146 PWs) bands (ev): -91.6823 -91.6823 -9.6655 -9.6655 1.0131 1.0131 6.6650 6.6650 6.8863 6.8863 15.0439 15.0439 19.1798 19.1798 19.3507 19.3507 22.1855 22.1855 k = 0.5221 0.2250 0.2401 ( 1146 PWs) bands (ev): -91.6822 -91.6822 -9.6559 -9.6559 1.0251 1.0251 6.5931 6.5931 6.8689 6.8689 15.1110 15.1110 19.1672 19.1672 19.3814 19.3814 22.1739 22.1739 k = 0.5245 0.2179 0.2441 ( 1146 PWs) bands (ev): -91.6822 -91.6822 -9.6453 -9.6453 1.0385 1.0385 6.5145 6.5145 6.8496 6.8496 15.1837 15.1837 19.1539 19.1539 19.4154 19.4154 22.1608 22.1608 k = 0.5270 0.2108 0.2482 ( 1146 PWs) bands (ev): -91.6822 -91.6822 -9.6336 -9.6336 1.0532 1.0532 6.4298 6.4298 6.8286 6.8286 15.2616 15.2616 19.1400 19.1400 19.4525 19.4525 22.1464 22.1464 k = 0.5294 0.2038 0.2522 ( 1144 PWs) bands (ev): -91.6822 -91.6822 -9.6209 -9.6209 1.0693 1.0693 6.3395 6.3395 6.8059 6.8059 15.3439 15.3439 19.1258 19.1258 19.4927 19.4927 22.1306 22.1306 k = 0.5319 0.1967 0.2562 ( 1144 PWs) bands (ev): -91.6822 -91.6822 -9.6072 -9.6072 1.0867 1.0867 6.2441 6.2441 6.7817 6.7817 15.4300 15.4300 19.1116 19.1116 19.5358 19.5358 22.1133 22.1133 k = 0.5343 0.1896 0.2602 ( 1138 PWs) bands (ev): -91.6822 -91.6822 -9.5925 -9.5925 1.1054 1.1054 6.1441 6.1441 6.7559 6.7559 15.5193 15.5193 19.0977 19.0977 19.5817 19.5817 22.0947 22.0947 k = 0.5368 0.1825 0.2642 ( 1138 PWs) bands (ev): -91.6822 -91.6822 -9.5769 -9.5769 1.1255 1.1255 6.0400 6.0400 6.7287 6.7287 15.6109 15.6109 19.0845 19.0845 19.6303 19.6303 22.0747 22.0747 k = 0.5392 0.1755 0.2682 ( 1140 PWs) bands (ev): -91.6822 -91.6822 -9.5604 -9.5604 1.1468 1.1468 5.9323 5.9323 6.7001 6.7001 15.7043 15.7043 19.0723 19.0723 19.6814 19.6814 22.0532 22.0532 k = 0.5417 0.1684 0.2722 ( 1142 PWs) bands (ev): -91.6821 -91.6821 -9.5430 -9.5430 1.1694 1.1694 5.8214 5.8214 6.6703 6.6703 15.7987 15.7987 19.0616 19.0616 19.7349 19.7349 22.0304 22.0304 k = 0.5441 0.1613 0.2762 ( 1140 PWs) bands (ev): -91.6821 -91.6821 -9.5247 -9.5247 1.1932 1.1932 5.7078 5.7078 6.6393 6.6393 15.8933 15.8933 19.0528 19.0528 19.7906 19.7906 22.0062 22.0062 k = 0.5466 0.1542 0.2802 ( 1144 PWs) bands (ev): -91.6821 -91.6821 -9.5056 -9.5056 1.2182 1.2182 5.5919 5.5919 6.6072 6.6072 15.9875 15.9875 19.0462 19.0462 19.8484 19.8484 21.9807 21.9807 k = 0.5490 0.1472 0.2842 ( 1139 PWs) bands (ev): -91.6821 -91.6821 -9.4858 -9.4858 1.2444 1.2444 5.4742 5.4742 6.5742 6.5742 16.0804 16.0804 19.0425 19.0425 19.9081 19.9081 21.9539 21.9539 k = 0.5515 0.1401 0.2882 ( 1137 PWs) bands (ev): -91.6821 -91.6821 -9.4653 -9.4653 1.2717 1.2717 5.3550 5.3550 6.5402 6.5402 16.1714 16.1714 19.0421 19.0421 19.9695 19.9695 21.9259 21.9259 k = 0.5539 0.1330 0.2922 ( 1137 PWs) bands (ev): -91.6821 -91.6821 -9.4440 -9.4440 1.3001 1.3001 5.2347 5.2347 6.5055 6.5055 16.2596 16.2596 19.0456 19.0456 20.0326 20.0326 21.8966 21.8966 k = 0.5564 0.1259 0.2962 ( 1139 PWs) bands (ev): -91.6820 -91.6820 -9.4222 -9.4222 1.3295 1.3295 5.1136 5.1136 6.4700 6.4700 16.3443 16.3443 19.0534 19.0534 20.0970 20.0970 21.8661 21.8661 k = 0.5588 0.1189 0.3002 ( 1135 PWs) bands (ev): -91.6820 -91.6820 -9.3998 -9.3998 1.3599 1.3599 4.9923 4.9923 6.4339 6.4339 16.4247 16.4247 19.0660 19.0660 20.1628 20.1628 21.8346 21.8346 k = 0.5613 0.1118 0.3042 ( 1133 PWs) bands (ev): -91.6820 -91.6820 -9.3768 -9.3768 1.3911 1.3911 4.8710 4.8710 6.3973 6.3973 16.5003 16.5003 19.0840 19.0840 20.2296 20.2296 21.8020 21.8020 k = 0.5637 0.1047 0.3082 ( 1133 PWs) bands (ev): -91.6820 -91.6820 -9.3534 -9.3534 1.4232 1.4232 4.7500 4.7500 6.3603 6.3603 16.5704 16.5704 19.1075 19.1075 20.2974 20.2974 21.7684 21.7684 k = 0.5662 0.0976 0.3122 ( 1134 PWs) bands (ev): -91.6820 -91.6820 -9.3296 -9.3296 1.4560 1.4560 4.6298 4.6298 6.3229 6.3229 16.6345 16.6345 19.1370 19.1370 20.3660 20.3660 21.7338 21.7338 k = 0.5686 0.0906 0.3162 ( 1134 PWs) bands (ev): -91.6820 -91.6820 -9.3055 -9.3055 1.4893 1.4893 4.5106 4.5106 6.2853 6.2853 16.6923 16.6923 19.1725 19.1725 20.4352 20.4352 21.6985 21.6985 k = 0.5711 0.0835 0.3202 ( 1134 PWs) bands (ev): -91.6819 -91.6819 -9.2811 -9.2811 1.5232 1.5232 4.3929 4.3929 6.2475 6.2475 16.7436 16.7436 19.2140 19.2140 20.5049 20.5049 21.6624 21.6624 k = 0.5735 0.0764 0.3242 ( 1134 PWs) bands (ev): -91.6819 -91.6819 -9.2566 -9.2566 1.5574 1.5574 4.2770 4.2770 6.2096 6.2096 16.7882 16.7882 19.2615 19.2615 20.5750 20.5750 21.6257 21.6257 k = 0.5760 0.0693 0.3282 ( 1138 PWs) bands (ev): -91.6819 -91.6819 -9.2319 -9.2319 1.5917 1.5917 4.1634 4.1634 6.1717 6.1717 16.8263 16.8263 19.3144 19.3144 20.6452 20.6452 21.5884 21.5884 k = 0.5784 0.0623 0.3322 ( 1136 PWs) bands (ev): -91.6819 -91.6819 -9.2071 -9.2071 1.6259 1.6259 4.0524 4.0524 6.1339 6.1339 16.8581 16.8581 19.3724 19.3724 20.7155 20.7155 21.5508 21.5508 k = 0.5809 0.0552 0.3362 ( 1136 PWs) bands (ev): -91.6819 -91.6819 -9.1824 -9.1824 1.6597 1.6597 3.9446 3.9446 6.0962 6.0962 16.8839 16.8839 19.4348 19.4348 20.7858 20.7858 21.5130 21.5130 k = 0.5833 0.0481 0.3402 ( 1130 PWs) bands (ev): -91.6818 -91.6818 -9.1578 -9.1578 1.6929 1.6929 3.8404 3.8404 6.0588 6.0588 16.9043 16.9043 19.5010 19.5010 20.8558 20.8558 21.4752 21.4752 k = 0.5858 0.0410 0.3442 ( 1134 PWs) bands (ev): -91.6818 -91.6818 -9.1334 -9.1334 1.7250 1.7250 3.7403 3.7403 6.0216 6.0216 16.9195 16.9195 19.5699 19.5699 20.9255 20.9255 21.4374 21.4374 k = 0.5882 0.0340 0.3482 ( 1134 PWs) bands (ev): -91.6818 -91.6818 -9.1093 -9.1093 1.7556 1.7556 3.6451 3.6451 5.9849 5.9849 16.9303 16.9303 19.6409 19.6409 20.9947 20.9947 21.4001 21.4001 k = 0.5907 0.0269 0.3522 ( 1134 PWs) bands (ev): -91.6818 -91.6818 -9.0856 -9.0856 1.7841 1.7841 3.5555 3.5555 5.9485 5.9485 16.9370 16.9370 19.7129 19.7129 21.0634 21.0634 21.3635 21.3635 k = 0.5931 0.0198 0.3562 ( 1136 PWs) bands (ev): -91.6818 -91.6818 -9.0623 -9.0623 1.8099 1.8099 3.4722 3.4722 5.9127 5.9127 16.9403 16.9403 19.7849 19.7849 21.1315 21.1315 21.3280 21.3280 k = 0.5956 0.0127 0.3602 ( 1136 PWs) bands (ev): -91.6818 -91.6818 -9.0397 -9.0397 1.8323 1.8323 3.3961 3.3961 5.8774 5.8774 16.9406 16.9406 19.8559 19.8559 21.1986 21.1986 21.2940 21.2940 k = 0.5980 0.0057 0.3642 ( 1136 PWs) bands (ev): -91.6817 -91.6817 -9.0176 -9.0176 1.8505 1.8505 3.3281 3.3281 5.8427 5.8427 16.9384 16.9384 19.9250 19.9250 21.2572 21.2572 21.2696 21.2696 k = 0.6005-0.0014 0.3682 ( 1136 PWs) bands (ev): -91.6817 -91.6817 -8.9964 -8.9964 1.8636 1.8636 3.2693 3.2693 5.8087 5.8087 16.9340 16.9340 19.9909 19.9909 21.2310 21.2310 21.3314 21.3314 k = 0.6029-0.0085 0.3722 ( 1134 PWs) bands (ev): -91.6817 -91.6817 -8.9760 -8.9760 1.8710 1.8710 3.2205 3.2205 5.7754 5.7754 16.9280 16.9280 20.0525 20.0525 21.2043 21.2043 21.3959 21.3959 k = 0.6054-0.0156 0.3762 ( 1134 PWs) bands (ev): -91.6817 -91.6817 -8.9566 -8.9566 1.8720 1.8720 3.1824 3.1824 5.7429 5.7429 16.9206 16.9206 20.1087 20.1087 21.1813 21.1813 21.4595 21.4595 k = 0.6078-0.0226 0.3802 ( 1133 PWs) bands (ev): -91.6817 -91.6817 -8.9382 -8.9382 1.8663 1.8663 3.1555 3.1555 5.7113 5.7113 16.9121 16.9121 20.1582 20.1582 21.1626 21.1626 21.5219 21.5219 k = 0.6103-0.0297 0.3842 ( 1135 PWs) bands (ev): -91.6817 -91.6817 -8.9210 -8.9210 1.8541 1.8541 3.1398 3.1398 5.6805 5.6805 16.9029 16.9029 20.2000 20.2000 21.1491 21.1491 21.5833 21.5833 k = 0.6127-0.0368 0.3882 ( 1135 PWs) bands (ev): -91.6817 -91.6817 -8.9050 -8.9050 1.8357 1.8357 3.1350 3.1350 5.6507 5.6507 16.8931 16.8931 20.2333 20.2333 21.1413 21.1413 21.6434 21.6434 k = 0.6152-0.0439 0.3922 ( 1135 PWs) bands (ev): -91.6817 -91.6817 -8.8905 -8.8905 1.8120 1.8120 3.1403 3.1403 5.6218 5.6218 16.8830 16.8830 20.2575 20.2575 21.1392 21.1392 21.7023 21.7023 k = 0.6176-0.0509 0.3962 ( 1136 PWs) bands (ev): -91.6817 -91.6817 -8.8773 -8.8773 1.7840 1.7840 3.1548 3.1548 5.5939 5.5939 16.8727 16.8727 20.2726 20.2726 21.1427 21.1427 21.7600 21.7600 k = 0.6201-0.0580 0.4002 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8657 -8.8657 1.7530 1.7530 3.1774 3.1774 5.5670 5.5670 16.8626 16.8626 20.2790 20.2790 21.1510 21.1510 21.8164 21.8164 k = 0.6225-0.0651 0.4042 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8558 -8.8558 1.7200 1.7200 3.2071 3.2071 5.5413 5.5413 16.8526 16.8526 20.2776 20.2776 21.1631 21.1631 21.8715 21.8715 k = 0.6250-0.0722 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8476 -8.8476 1.6862 1.6862 3.2427 3.2427 5.5166 5.5166 16.8429 16.8429 20.2696 20.2696 21.1776 21.1776 21.9252 21.9252 k = 0.6250-0.0722 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8476 -8.8476 1.6862 1.6862 3.2427 3.2427 5.5166 5.5166 16.8429 16.8429 20.2696 20.2696 21.1776 21.1776 21.9252 21.9252 k = 0.6208-0.0698 0.4151 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8474 -8.8474 1.6871 1.6871 3.2422 3.2422 5.5146 5.5146 16.8469 16.8469 20.2695 20.2695 21.1771 21.1771 21.9203 21.9203 k = 0.6167-0.0674 0.4219 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8468 -8.8468 1.6899 1.6899 3.2406 3.2406 5.5085 5.5085 16.8590 16.8590 20.2692 20.2692 21.1757 21.1757 21.9057 21.9057 k = 0.6125-0.0650 0.4287 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8459 -8.8459 1.6945 1.6945 3.2379 3.2379 5.4986 5.4986 16.8789 16.8789 20.2687 20.2687 21.1732 21.1732 21.8816 21.8816 k = 0.6083-0.0625 0.4355 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.8445 -8.8445 1.7010 1.7010 3.2340 3.2340 5.4848 5.4848 16.9067 16.9067 20.2679 20.2679 21.1698 21.1698 21.8485 21.8485 k = 0.6042-0.0601 0.4423 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.8428 -8.8428 1.7093 1.7093 3.2290 3.2290 5.4675 5.4675 16.9421 16.9421 20.2669 20.2669 21.1654 21.1654 21.8071 21.8071 k = 0.6000-0.0577 0.4491 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.8407 -8.8407 1.7194 1.7194 3.2227 3.2227 5.4468 5.4468 16.9849 16.9849 20.2654 20.2654 21.1601 21.1601 21.7581 21.7581 k = 0.5958-0.0553 0.4559 ( 1137 PWs) bands (ev): -91.6816 -91.6816 -8.8383 -8.8383 1.7314 1.7314 3.2150 3.2150 5.4230 5.4230 17.0348 17.0348 20.2636 20.2636 21.1538 21.1538 21.7022 21.7022 k = 0.5917-0.0529 0.4627 ( 1139 PWs) bands (ev): -91.6816 -91.6816 -8.8356 -8.8356 1.7452 1.7452 3.2059 3.2059 5.3965 5.3965 17.0916 17.0916 20.2611 20.2611 21.1465 21.1465 21.6405 21.6405 k = 0.5875-0.0505 0.4695 ( 1137 PWs) bands (ev): -91.6816 -91.6816 -8.8326 -8.8326 1.7608 1.7608 3.1952 3.1952 5.3676 5.3676 17.1549 17.1549 20.2579 20.2579 21.1383 21.1383 21.5737 21.5737 k = 0.5833-0.0481 0.4763 ( 1137 PWs) bands (ev): -91.6816 -91.6816 -8.8293 -8.8293 1.7782 1.7782 3.1829 3.1829 5.3368 5.3368 17.2243 17.2243 20.2538 20.2538 21.1292 21.1292 21.5029 21.5029 k = 0.5792-0.0457 0.4831 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.8257 -8.8257 1.7975 1.7975 3.1687 3.1687 5.3045 5.3045 17.2994 17.2994 20.2485 20.2485 21.1191 21.1191 21.4291 21.4291 k = 0.5750-0.0433 0.4899 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.8219 -8.8219 1.8185 1.8185 3.1527 3.1527 5.2710 5.2710 17.3798 17.3798 20.2416 20.2416 21.1081 21.1081 21.3533 21.3533 k = 0.5708-0.0409 0.4967 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.8179 -8.8179 1.8413 1.8413 3.1345 3.1345 5.2369 5.2369 17.4650 17.4650 20.2328 20.2328 21.0962 21.0962 21.2767 21.2767 k = 0.5667-0.0385 0.5035 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.8138 -8.8138 1.8658 1.8658 3.1141 3.1141 5.2027 5.2027 17.5546 17.5546 20.2215 20.2215 21.0833 21.0833 21.2004 21.2004 k = 0.5625-0.0361 0.5103 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8095 -8.8095 1.8921 1.8921 3.0915 3.0915 5.1687 5.1687 17.6480 17.6480 20.2069 20.2069 21.0692 21.0692 21.1259 21.1259 k = 0.5583-0.0337 0.5171 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8052 -8.8052 1.9201 1.9201 3.0664 3.0664 5.1353 5.1353 17.7447 17.7447 20.1882 20.1882 21.0475 21.0475 21.0613 21.0613 k = 0.5542-0.0313 0.5239 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8007 -8.8007 1.9499 1.9499 3.0388 3.0388 5.1031 5.1031 17.8442 17.8442 20.1645 20.1645 20.9850 20.9850 21.0411 21.0411 k = 0.5500-0.0289 0.5307 ( 1146 PWs) bands (ev): -91.6816 -91.6816 -8.7963 -8.7963 1.9813 1.9813 3.0086 3.0086 5.0723 5.0723 17.9457 17.9457 20.1347 20.1347 20.9239 20.9239 21.0245 21.0245 k = 0.5458-0.0265 0.5375 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7920 -8.7920 2.0144 2.0144 2.9759 2.9759 5.0433 5.0433 18.0489 18.0489 20.0981 20.0981 20.8700 20.8700 21.0075 21.0075 k = 0.5417-0.0241 0.5443 ( 1146 PWs) bands (ev): -91.6816 -91.6816 -8.7877 -8.7877 2.0492 2.0492 2.9407 2.9407 5.0164 5.0164 18.1529 18.1529 20.0542 20.0542 20.8243 20.8243 20.9898 20.9898 k = 0.5375-0.0217 0.5511 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.7835 -8.7835 2.0857 2.0857 2.9030 2.9030 4.9917 4.9917 18.2571 18.2571 20.0030 20.0030 20.7875 20.7875 20.9713 20.9713 k = 0.5333-0.0192 0.5579 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.7796 -8.7796 2.1237 2.1237 2.8630 2.8630 4.9696 4.9696 18.3607 18.3607 19.9453 19.9453 20.7594 20.7594 20.9522 20.9522 k = 0.5292-0.0168 0.5647 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.7759 -8.7759 2.1633 2.1633 2.8207 2.8207 4.9501 4.9501 18.4625 18.4625 19.8825 19.8825 20.7396 20.7396 20.9324 20.9324 k = 0.5250-0.0144 0.5715 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7725 -8.7725 2.2045 2.2045 2.7765 2.7765 4.9333 4.9333 18.5615 18.5615 19.8161 19.8161 20.7273 20.7273 20.9119 20.9119 k = 0.5208-0.0120 0.5784 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7695 -8.7695 2.2473 2.2473 2.7305 2.7305 4.9192 4.9192 18.6561 18.6561 19.7485 19.7485 20.7217 20.7217 20.8909 20.8909 k = 0.5167-0.0096 0.5852 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7668 -8.7668 2.2915 2.2915 2.6829 2.6829 4.9079 4.9079 18.7440 18.7440 19.6823 19.6823 20.7221 20.7221 20.8694 20.8694 k = 0.5125-0.0072 0.5920 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7647 -8.7647 2.3373 2.3373 2.6342 2.6342 4.8992 4.8992 18.8221 18.8221 19.6210 19.6210 20.7281 20.7281 20.8473 20.8473 k = 0.5083-0.0048 0.5988 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.7631 -8.7631 2.3844 2.3844 2.5845 2.5845 4.8931 4.8931 18.8854 18.8854 19.5697 19.5697 20.7391 20.7391 20.8250 20.8250 k = 0.5042-0.0024 0.6056 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7621 -8.7621 2.4328 2.4328 2.5344 2.5344 4.8896 4.8896 18.9276 18.9276 19.5348 19.5348 20.7544 20.7544 20.8028 20.8028 k = 0.5000 0.0000 0.6124 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7617 -8.7617 2.4767 2.4767 2.4898 2.4898 4.8884 4.8884 18.9424 18.9424 19.5224 19.5224 20.7681 20.7681 20.7869 20.7869 k = 0.5000 0.0000 0.6124 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7617 -8.7617 2.4767 2.4767 2.4898 2.4898 4.8884 4.8884 18.9424 18.9424 19.5224 19.5224 20.7681 20.7681 20.7869 20.7869 k = 0.5000 0.0049 0.6055 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7625 -8.7625 2.4766 2.4766 2.4905 2.4905 4.8908 4.8908 18.9418 18.9418 19.5162 19.5162 20.7706 20.7706 20.7894 20.7894 k = 0.5000 0.0098 0.5985 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.7649 -8.7649 2.4732 2.4732 2.4955 2.4955 4.8980 4.8980 18.9401 18.9401 19.4977 19.4977 20.7774 20.7774 20.7972 20.7972 k = 0.5000 0.0147 0.5916 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7688 -8.7688 2.4645 2.4645 2.5070 2.5070 4.9098 4.9098 18.9371 18.9371 19.4678 19.4678 20.7874 20.7874 20.8107 20.8107 k = 0.5000 0.0196 0.5847 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7742 -8.7742 2.4514 2.4514 2.5242 2.5242 4.9262 4.9262 18.9331 18.9331 19.4275 19.4275 20.7998 20.7998 20.8294 20.8294 k = 0.5000 0.0245 0.5778 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7812 -8.7812 2.4346 2.4346 2.5466 2.5466 4.9470 4.9470 18.9281 18.9281 19.3780 19.3780 20.8146 20.8146 20.8519 20.8519 k = 0.5000 0.0294 0.5709 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7897 -8.7897 2.4143 2.4143 2.5740 2.5740 4.9719 4.9719 18.9223 18.9223 19.3206 19.3206 20.8319 20.8319 20.8767 20.8767 k = 0.5000 0.0342 0.5639 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7996 -8.7996 2.3909 2.3909 2.6063 2.6063 5.0006 5.0006 18.9156 18.9156 19.2564 19.2564 20.8518 20.8518 20.9024 20.9024 k = 0.5000 0.0391 0.5570 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8110 -8.8110 2.3647 2.3647 2.6434 2.6434 5.0329 5.0329 18.9084 18.9084 19.1865 19.1865 20.8740 20.8740 20.9278 20.9278 k = 0.5000 0.0440 0.5501 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8236 -8.8236 2.3359 2.3359 2.6854 2.6854 5.0685 5.0685 18.9007 18.9007 19.1117 19.1117 20.8985 20.8985 20.9520 20.9520 k = 0.5000 0.0489 0.5432 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.8376 -8.8376 2.3049 2.3049 2.7319 2.7319 5.1070 5.1070 18.8927 18.8927 19.0328 19.0328 20.9251 20.9251 20.9741 20.9741 k = 0.5000 0.0538 0.5363 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.8529 -8.8529 2.2718 2.2718 2.7831 2.7831 5.1483 5.1483 18.8844 18.8844 18.9505 18.9505 20.9535 20.9535 20.9936 20.9936 k = 0.5000 0.0587 0.5293 ( 1142 PWs) bands (ev): -91.6816 -91.6816 -8.8693 -8.8693 2.2370 2.2370 2.8387 2.8387 5.1919 5.1919 18.8641 18.8641 18.8772 18.8772 20.9830 20.9830 21.0102 21.0102 k = 0.5000 0.0636 0.5224 ( 1136 PWs) bands (ev): -91.6817 -91.6817 -8.8868 -8.8868 2.2008 2.2008 2.8988 2.8988 5.2377 5.2377 18.7769 18.7769 18.8685 18.8685 21.0102 21.0102 21.0269 21.0269 k = 0.5000 0.0685 0.5155 ( 1136 PWs) bands (ev): -91.6817 -91.6817 -8.9054 -8.9054 2.1632 2.1632 2.9630 2.9630 5.2854 5.2854 18.6868 18.6868 18.8607 18.8607 21.0237 21.0237 21.0543 21.0543 k = 0.5000 0.0734 0.5086 ( 1138 PWs) bands (ev): -91.6817 -91.6817 -8.9249 -8.9249 2.1247 2.1247 3.0315 3.0315 5.3347 5.3347 18.5947 18.5947 18.8534 18.8534 21.0276 21.0276 21.0879 21.0879 k = 0.5000 0.0783 0.5017 ( 1136 PWs) bands (ev): -91.6817 -91.6817 -8.9453 -8.9453 2.0853 2.0853 3.1039 3.1039 5.3853 5.3853 18.5009 18.5009 18.8466 18.8466 21.0258 21.0258 21.1236 21.1236 k = 0.5000 0.0832 0.4947 ( 1140 PWs) bands (ev): -91.6817 -91.6817 -8.9666 -8.9666 2.0453 2.0453 3.1803 3.1803 5.4371 5.4371 18.4057 18.4057 18.8404 18.8404 21.0187 21.0187 21.1604 21.1604 k = 0.5000 0.0881 0.4878 ( 1140 PWs) bands (ev): -91.6817 -91.6817 -8.9886 -8.9886 2.0048 2.0048 3.2604 3.2604 5.4898 5.4898 18.3091 18.3091 18.8351 18.8351 21.0064 21.0064 21.1981 21.1981 k = 0.5000 0.0930 0.4809 ( 1140 PWs) bands (ev): -91.6817 -91.6817 -9.0112 -9.0112 1.9641 1.9641 3.3441 3.3441 5.5433 5.5433 18.2114 18.2114 18.8306 18.8306 20.9889 20.9889 21.2365 21.2365 k = 0.5000 0.0979 0.4740 ( 1138 PWs) bands (ev): -91.6818 -91.6818 -9.0344 -9.0344 1.9231 1.9231 3.4313 3.4313 5.5973 5.5973 18.1126 18.1127 18.8271 18.8271 20.9662 20.9662 21.2754 21.2754 k = 0.5000 0.1027 0.4671 ( 1140 PWs) bands (ev): -91.6818 -91.6818 -9.0582 -9.0582 1.8822 1.8822 3.5218 3.5218 5.6516 5.6516 18.0129 18.0129 18.8246 18.8246 20.9386 20.9386 21.3146 21.3146 k = 0.5000 0.1076 0.4601 ( 1140 PWs) bands (ev): -91.6818 -91.6818 -9.0823 -9.0823 1.8414 1.8414 3.6154 3.6154 5.7062 5.7062 17.9123 17.9123 18.8232 18.8232 20.9062 20.9062 21.3541 21.3541 k = 0.5000 0.1125 0.4532 ( 1138 PWs) bands (ev): -91.6818 -91.6818 -9.1068 -9.1068 1.8008 1.8008 3.7121 3.7121 5.7608 5.7608 17.8108 17.8108 18.8229 18.8229 20.8691 20.8691 21.3937 21.3937 k = 0.5000 0.1174 0.4463 ( 1138 PWs) bands (ev): -91.6818 -91.6818 -9.1316 -9.1316 1.7605 1.7605 3.8115 3.8115 5.8154 5.8154 17.7086 17.7086 18.8239 18.8239 20.8276 20.8276 21.4332 21.4332 k = 0.5000 0.1223 0.4394 ( 1140 PWs) bands (ev): -91.6818 -91.6818 -9.1565 -9.1565 1.7207 1.7207 3.9136 3.9136 5.8697 5.8697 17.6057 17.6057 18.8261 18.8261 20.7821 20.7821 21.4726 21.4726 k = 0.5000 0.1272 0.4325 ( 1140 PWs) bands (ev): -91.6819 -91.6819 -9.1816 -9.1816 1.6813 1.6813 4.0182 4.0182 5.9236 5.9236 17.5021 17.5021 18.8295 18.8295 20.7328 20.7328 21.5117 21.5117 k = 0.5000 0.1321 0.4255 ( 1136 PWs) bands (ev): -91.6819 -91.6819 -9.2066 -9.2066 1.6425 1.6425 4.1250 4.1250 5.9771 5.9771 17.3979 17.3979 18.8342 18.8342 20.6800 20.6800 21.5504 21.5504 k = 0.5000 0.1370 0.4186 ( 1130 PWs) bands (ev): -91.6819 -91.6819 -9.2317 -9.2317 1.6044 1.6044 4.2339 4.2339 6.0299 6.0299 17.2931 17.2931 18.8402 18.8402 20.6243 20.6243 21.5887 21.5887 k = 0.5000 0.1419 0.4117 ( 1128 PWs) bands (ev): -91.6819 -91.6819 -9.2566 -9.2566 1.5670 1.5670 4.3446 4.3446 6.0821 6.0821 17.1877 17.1877 18.8474 18.8474 20.5658 20.5658 21.6264 21.6264 k = 0.5000 0.1468 0.4048 ( 1128 PWs) bands (ev): -91.6819 -91.6819 -9.2814 -9.2814 1.5304 1.5304 4.4570 4.4570 6.1334 6.1334 17.0819 17.0819 18.8558 18.8558 20.5052 20.5052 21.6635 21.6635 k = 0.5000 0.1517 0.3979 ( 1130 PWs) bands (ev): -91.6819 -91.6819 -9.3060 -9.3060 1.4946 1.4946 4.5707 4.5707 6.1838 6.1838 16.9757 16.9757 18.8655 18.8655 20.4427 20.4427 21.6998 21.6998 k = 0.5000 0.1566 0.3909 ( 1130 PWs) bands (ev): -91.6820 -91.6820 -9.3302 -9.3302 1.4597 1.4597 4.6857 4.6857 6.2331 6.2331 16.8690 16.8690 18.8763 18.8763 20.3787 20.3787 21.7352 21.7352 k = 0.5000 0.1615 0.3840 ( 1134 PWs) bands (ev): -91.6820 -91.6820 -9.3541 -9.3541 1.4258 1.4258 4.8016 4.8016 6.2814 6.2814 16.7622 16.7622 18.8882 18.8882 20.3138 20.3138 21.7698 21.7698 k = 0.5000 0.1664 0.3771 ( 1134 PWs) bands (ev): -91.6820 -91.6820 -9.3775 -9.3775 1.3928 1.3928 4.9181 4.9181 6.3285 6.3285 16.6551 16.6551 18.9011 18.9011 20.2483 20.2483 21.8034 21.8034 k = 0.5000 0.1712 0.3702 ( 1132 PWs) bands (ev): -91.6820 -91.6820 -9.4005 -9.4005 1.3609 1.3609 5.0351 5.0351 6.3743 6.3743 16.5481 16.5481 18.9151 18.9151 20.1825 20.1825 21.8360 21.8360 k = 0.5000 0.1761 0.3633 ( 1132 PWs) bands (ev): -91.6820 -91.6820 -9.4229 -9.4229 1.3300 1.3300 5.1521 5.1521 6.4188 6.4188 16.4411 16.4411 18.9299 18.9299 20.1169 20.1169 21.8675 21.8675 k = 0.5000 0.1810 0.3564 ( 1132 PWs) bands (ev): -91.6821 -91.6821 -9.4447 -9.4447 1.3003 1.3003 5.2690 5.2690 6.4618 6.4618 16.3345 16.3345 18.9456 18.9456 20.0518 20.0518 21.8979 21.8979 k = 0.5000 0.1859 0.3494 ( 1132 PWs) bands (ev): -91.6821 -91.6821 -9.4659 -9.4659 1.2716 1.2716 5.3853 5.3853 6.5034 6.5034 16.2283 16.2283 18.9619 18.9619 19.9877 19.9877 21.9271 21.9271 k = 0.5000 0.1908 0.3425 ( 1136 PWs) bands (ev): -91.6821 -91.6821 -9.4865 -9.4865 1.2441 1.2441 5.5007 5.5007 6.5435 6.5435 16.1229 16.1229 18.9788 18.9788 19.9247 19.9247 21.9550 21.9550 k = 0.5000 0.1957 0.3356 ( 1136 PWs) bands (ev): -91.6821 -91.6821 -9.5062 -9.5062 1.2178 1.2178 5.6150 5.6150 6.5819 6.5819 16.0185 16.0185 18.9962 18.9962 19.8632 19.8632 21.9817 21.9817 k = 0.5000 0.2006 0.3287 ( 1136 PWs) bands (ev): -91.6821 -91.6821 -9.5253 -9.5253 1.1928 1.1928 5.7276 5.7276 6.6187 6.6187 15.9153 15.9153 19.0139 19.0139 19.8035 19.8035 22.0071 22.0071 k = 0.5000 0.2055 0.3218 ( 1136 PWs) bands (ev): -91.6821 -91.6821 -9.5435 -9.5435 1.1689 1.1689 5.8382 5.8382 6.6537 6.6537 15.8138 15.8138 19.0319 19.0319 19.7459 19.7459 22.0312 22.0312 k = 0.5000 0.2104 0.3148 ( 1138 PWs) bands (ev): -91.6822 -91.6822 -9.5609 -9.5609 1.1463 1.1463 5.9464 5.9464 6.6870 6.6870 15.7143 15.7143 19.0499 19.0499 19.6905 19.6905 22.0539 22.0539 k = 0.5000 0.2153 0.3079 ( 1136 PWs) bands (ev): -91.6822 -91.6822 -9.5773 -9.5773 1.1250 1.1250 6.0517 6.0517 6.7185 6.7185 15.6171 15.6171 19.0678 19.0678 19.6377 19.6377 22.0753 22.0753 k = 0.5000 0.2202 0.3010 ( 1136 PWs) bands (ev): -91.6822 -91.6822 -9.5929 -9.5929 1.1050 1.1050 6.1536 6.1536 6.7482 6.7482 15.5228 15.5228 19.0856 19.0856 19.5875 19.5875 22.0952 22.0952 k = 0.5000 0.2251 0.2941 ( 1138 PWs) bands (ev): -91.6822 -91.6822 -9.6075 -9.6075 1.0863 1.0863 6.2517 6.2517 6.7760 6.7760 15.4317 15.4317 19.1029 19.1029 19.5402 19.5402 22.1138 22.1138 k = 0.5000 0.2300 0.2872 ( 1138 PWs) bands (ev): -91.6822 -91.6822 -9.6212 -9.6212 1.0689 1.0689 6.3455 6.3455 6.8018 6.8018 15.3444 15.3444 19.1197 19.1197 19.4959 19.4959 22.1310 22.1310 k = 0.5000 0.2349 0.2802 ( 1146 PWs) bands (ev): -91.6822 -91.6822 -9.6339 -9.6339 1.0529 1.0529 6.4345 6.4345 6.8257 6.8257 15.2614 15.2614 19.1359 19.1359 19.4548 19.4548 22.1467 22.1467 k = 0.5000 0.2397 0.2733 ( 1146 PWs) bands (ev): -91.6822 -91.6822 -9.6455 -9.6455 1.0382 1.0382 6.5181 6.5181 6.8477 6.8477 15.1832 15.1832 19.1512 19.1512 19.4169 19.4169 22.1611 22.1611 k = 0.5000 0.2446 0.2664 ( 1146 PWs) bands (ev): -91.6822 -91.6822 -9.6561 -9.6561 1.0249 1.0249 6.5957 6.5957 6.8676 6.8676 15.1102 15.1102 19.1656 19.1656 19.3823 19.3823 22.1741 22.1741 k = 0.5000 0.2495 0.2595 ( 1148 PWs) bands (ev): -91.6823 -91.6823 -9.6656 -9.6656 1.0129 1.0129 6.6669 6.6669 6.8856 6.8856 15.0432 15.0432 19.1789 19.1789 19.3512 19.3512 22.1856 22.1856 k = 0.5000 0.2544 0.2526 ( 1148 PWs) bands (ev): -91.6823 -91.6823 -9.6741 -9.6741 1.0024 1.0024 6.7311 6.7311 6.9016 6.9016 14.9825 14.9825 19.1910 19.1910 19.3236 19.3236 22.1958 22.1958 k = 0.5000 0.2593 0.2456 ( 1150 PWs) bands (ev): -91.6823 -91.6823 -9.6814 -9.6814 0.9932 0.9932 6.7878 6.7878 6.9156 6.9156 14.9288 14.9288 19.2017 19.2017 19.2996 19.2996 22.2046 22.2046 k = 0.5000 0.2642 0.2387 ( 1148 PWs) bands (ev): -91.6823 -91.6823 -9.6876 -9.6876 0.9855 0.9855 6.8364 6.8364 6.9278 6.9278 14.8823 14.8823 19.2109 19.2109 19.2792 19.2792 22.2121 22.2121 k = 0.5000 0.2691 0.2318 ( 1154 PWs) bands (ev): -91.6823 -91.6823 -9.6928 -9.6928 0.9791 0.9791 6.8763 6.8763 6.9381 6.9381 14.8437 14.8437 19.2186 19.2186 19.2625 19.2625 22.2182 22.2182 k = 0.5000 0.2740 0.2249 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.6968 -9.6968 0.9741 0.9741 6.9068 6.9068 6.9472 6.9472 14.8133 14.8133 19.2246 19.2246 19.2495 19.2495 22.2229 22.2229 k = 0.5000 0.2789 0.2180 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.6996 -9.6996 0.9706 0.9706 6.9271 6.9271 6.9553 6.9553 14.7913 14.7913 19.2290 19.2290 19.2402 19.2402 22.2262 22.2262 k = 0.5000 0.2838 0.2110 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.7013 -9.7013 0.9685 0.9685 6.9375 6.9375 6.9621 6.9621 14.7780 14.7780 19.2314 19.2314 19.2348 19.2348 22.2282 22.2282 k = 0.5000 0.2887 0.2041 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.7019 -9.7019 0.9678 0.9678 6.9405 6.9405 6.9649 6.9649 14.7736 14.7736 19.2316 19.2316 19.2336 19.2336 22.2289 22.2289 k = 0.5000 0.2887 0.2041 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.7019 -9.7019 0.9678 0.9678 6.9405 6.9405 6.9649 6.9649 14.7736 14.7736 19.2316 19.2316 19.2336 19.2336 22.2289 22.2289 k = 0.4975 0.2873 0.2121 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.7013 -9.7013 0.9685 0.9685 6.9375 6.9375 6.9621 6.9621 14.7781 14.7781 19.2314 19.2314 19.2348 19.2348 22.2282 22.2282 k = 0.4951 0.2858 0.2201 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.6996 -9.6996 0.9706 0.9706 6.9270 6.9270 6.9553 6.9553 14.7914 14.7914 19.2290 19.2290 19.2402 19.2402 22.2262 22.2262 k = 0.4926 0.2844 0.2281 ( 1158 PWs) bands (ev): -91.6823 -91.6823 -9.6967 -9.6967 0.9742 0.9742 6.9066 6.9066 6.9471 6.9471 14.8134 14.8134 19.2246 19.2246 19.2495 19.2495 22.2228 22.2228 k = 0.4902 0.2830 0.2361 ( 1154 PWs) bands (ev): -91.6823 -91.6823 -9.6927 -9.6927 0.9791 0.9791 6.8760 6.8760 6.9381 6.9381 14.8440 14.8440 19.2186 19.2186 19.2625 19.2625 22.2181 22.2181 k = 0.4877 0.2816 0.2441 ( 1148 PWs) bands (ev): -91.6823 -91.6823 -9.6876 -9.6876 0.9855 0.9855 6.8358 6.8358 6.9278 6.9278 14.8827 14.8827 19.2110 19.2110 19.2793 19.2793 22.2121 22.2121 k = 0.4853 0.2802 0.2522 ( 1146 PWs) bands (ev): -91.6823 -91.6823 -9.6813 -9.6813 0.9933 0.9933 6.7869 6.7869 6.9158 6.9158 14.9293 14.9293 19.2019 19.2019 19.2996 19.2996 22.2046 22.2046 k = 0.4828 0.2788 0.2602 ( 1146 PWs) bands (ev): -91.6823 -91.6823 -9.6740 -9.6740 1.0025 1.0025 6.7298 6.7298 6.9020 6.9020 14.9832 14.9832 19.1915 19.1915 19.3234 19.3234 22.1957 22.1957 k = 0.4804 0.2774 0.2682 ( 1146 PWs) bands (ev): -91.6823 -91.6823 -9.6655 -9.6655 1.0131 1.0131 6.6650 6.6650 6.8863 6.8863 15.0439 15.0439 19.1798 19.1798 19.3507 19.3507 22.1855 22.1855 k = 0.4779 0.2759 0.2762 ( 1146 PWs) bands (ev): -91.6822 -91.6822 -9.6559 -9.6559 1.0251 1.0251 6.5931 6.5931 6.8689 6.8689 15.1110 15.1110 19.1672 19.1672 19.3814 19.3814 22.1739 22.1739 k = 0.4755 0.2745 0.2842 ( 1146 PWs) bands (ev): -91.6822 -91.6822 -9.6453 -9.6453 1.0385 1.0385 6.5145 6.5145 6.8496 6.8496 15.1837 15.1837 19.1539 19.1539 19.4154 19.4154 22.1608 22.1608 k = 0.4730 0.2731 0.2922 ( 1146 PWs) bands (ev): -91.6822 -91.6822 -9.6336 -9.6336 1.0532 1.0532 6.4298 6.4298 6.8286 6.8286 15.2616 15.2616 19.1400 19.1400 19.4525 19.4525 22.1464 22.1464 k = 0.4706 0.2717 0.3002 ( 1144 PWs) bands (ev): -91.6822 -91.6822 -9.6209 -9.6209 1.0693 1.0693 6.3395 6.3395 6.8059 6.8059 15.3439 15.3439 19.1258 19.1258 19.4927 19.4927 22.1306 22.1306 k = 0.4681 0.2703 0.3082 ( 1144 PWs) bands (ev): -91.6822 -91.6822 -9.6072 -9.6072 1.0867 1.0867 6.2441 6.2441 6.7817 6.7817 15.4300 15.4300 19.1116 19.1116 19.5358 19.5358 22.1133 22.1133 k = 0.4657 0.2689 0.3162 ( 1138 PWs) bands (ev): -91.6822 -91.6822 -9.5925 -9.5925 1.1054 1.1054 6.1441 6.1441 6.7559 6.7559 15.5193 15.5193 19.0977 19.0977 19.5817 19.5817 22.0947 22.0947 k = 0.4632 0.2674 0.3242 ( 1138 PWs) bands (ev): -91.6822 -91.6822 -9.5769 -9.5769 1.1255 1.1255 6.0400 6.0400 6.7287 6.7287 15.6109 15.6109 19.0845 19.0845 19.6303 19.6303 22.0747 22.0747 k = 0.4608 0.2660 0.3322 ( 1140 PWs) bands (ev): -91.6822 -91.6822 -9.5604 -9.5604 1.1468 1.1468 5.9323 5.9323 6.7001 6.7001 15.7043 15.7043 19.0723 19.0723 19.6814 19.6814 22.0532 22.0532 k = 0.4583 0.2646 0.3402 ( 1142 PWs) bands (ev): -91.6821 -91.6821 -9.5430 -9.5430 1.1694 1.1694 5.8214 5.8214 6.6703 6.6703 15.7987 15.7987 19.0616 19.0616 19.7349 19.7349 22.0304 22.0304 k = 0.4559 0.2632 0.3482 ( 1140 PWs) bands (ev): -91.6821 -91.6821 -9.5247 -9.5247 1.1932 1.1932 5.7078 5.7078 6.6393 6.6393 15.8933 15.8933 19.0528 19.0528 19.7906 19.7906 22.0062 22.0062 k = 0.4534 0.2618 0.3562 ( 1144 PWs) bands (ev): -91.6821 -91.6821 -9.5056 -9.5056 1.2182 1.2182 5.5919 5.5919 6.6072 6.6072 15.9875 15.9875 19.0462 19.0462 19.8484 19.8484 21.9807 21.9807 k = 0.4510 0.2604 0.3642 ( 1139 PWs) bands (ev): -91.6821 -91.6821 -9.4858 -9.4858 1.2444 1.2444 5.4742 5.4742 6.5742 6.5742 16.0804 16.0804 19.0425 19.0425 19.9081 19.9081 21.9539 21.9539 k = 0.4485 0.2590 0.3722 ( 1137 PWs) bands (ev): -91.6821 -91.6821 -9.4653 -9.4653 1.2717 1.2717 5.3550 5.3550 6.5402 6.5402 16.1714 16.1714 19.0421 19.0421 19.9695 19.9695 21.9259 21.9259 k = 0.4461 0.2575 0.3802 ( 1137 PWs) bands (ev): -91.6821 -91.6821 -9.4440 -9.4440 1.3001 1.3001 5.2347 5.2347 6.5055 6.5055 16.2596 16.2596 19.0456 19.0456 20.0326 20.0326 21.8966 21.8966 k = 0.4436 0.2561 0.3882 ( 1139 PWs) bands (ev): -91.6820 -91.6820 -9.4222 -9.4222 1.3295 1.3295 5.1136 5.1136 6.4700 6.4700 16.3443 16.3443 19.0534 19.0534 20.0970 20.0970 21.8661 21.8661 k = 0.4412 0.2547 0.3962 ( 1135 PWs) bands (ev): -91.6820 -91.6820 -9.3998 -9.3998 1.3599 1.3599 4.9923 4.9923 6.4339 6.4339 16.4247 16.4247 19.0660 19.0660 20.1628 20.1628 21.8346 21.8346 k = 0.4387 0.2533 0.4042 ( 1133 PWs) bands (ev): -91.6820 -91.6820 -9.3768 -9.3768 1.3911 1.3911 4.8710 4.8710 6.3973 6.3973 16.5003 16.5003 19.0840 19.0840 20.2296 20.2296 21.8020 21.8020 k = 0.4363 0.2519 0.4123 ( 1133 PWs) bands (ev): -91.6820 -91.6820 -9.3534 -9.3534 1.4232 1.4232 4.7500 4.7500 6.3603 6.3603 16.5704 16.5704 19.1075 19.1075 20.2974 20.2974 21.7684 21.7684 k = 0.4338 0.2505 0.4203 ( 1134 PWs) bands (ev): -91.6820 -91.6820 -9.3296 -9.3296 1.4560 1.4560 4.6298 4.6298 6.3229 6.3229 16.6345 16.6345 19.1370 19.1370 20.3660 20.3660 21.7338 21.7338 k = 0.4314 0.2491 0.4283 ( 1134 PWs) bands (ev): -91.6820 -91.6820 -9.3055 -9.3055 1.4893 1.4893 4.5106 4.5106 6.2853 6.2853 16.6923 16.6923 19.1725 19.1725 20.4352 20.4352 21.6985 21.6985 k = 0.4289 0.2476 0.4363 ( 1134 PWs) bands (ev): -91.6819 -91.6819 -9.2811 -9.2811 1.5232 1.5232 4.3929 4.3929 6.2475 6.2475 16.7436 16.7436 19.2140 19.2140 20.5049 20.5049 21.6624 21.6624 k = 0.4265 0.2462 0.4443 ( 1134 PWs) bands (ev): -91.6819 -91.6819 -9.2566 -9.2566 1.5574 1.5574 4.2770 4.2770 6.2096 6.2096 16.7882 16.7882 19.2615 19.2615 20.5750 20.5750 21.6257 21.6257 k = 0.4240 0.2448 0.4523 ( 1138 PWs) bands (ev): -91.6819 -91.6819 -9.2319 -9.2319 1.5917 1.5917 4.1634 4.1634 6.1717 6.1717 16.8263 16.8263 19.3144 19.3144 20.6452 20.6452 21.5884 21.5884 k = 0.4216 0.2434 0.4603 ( 1136 PWs) bands (ev): -91.6819 -91.6819 -9.2071 -9.2071 1.6259 1.6259 4.0524 4.0524 6.1339 6.1339 16.8581 16.8581 19.3724 19.3724 20.7155 20.7155 21.5508 21.5508 k = 0.4191 0.2420 0.4683 ( 1136 PWs) bands (ev): -91.6819 -91.6819 -9.1824 -9.1824 1.6597 1.6597 3.9446 3.9446 6.0962 6.0962 16.8839 16.8839 19.4348 19.4348 20.7858 20.7858 21.5130 21.5130 k = 0.4167 0.2406 0.4763 ( 1130 PWs) bands (ev): -91.6818 -91.6818 -9.1578 -9.1578 1.6929 1.6929 3.8404 3.8404 6.0588 6.0588 16.9043 16.9043 19.5010 19.5010 20.8558 20.8558 21.4752 21.4752 k = 0.4142 0.2391 0.4843 ( 1134 PWs) bands (ev): -91.6818 -91.6818 -9.1334 -9.1334 1.7250 1.7250 3.7403 3.7403 6.0216 6.0216 16.9195 16.9195 19.5699 19.5699 20.9255 20.9255 21.4374 21.4374 k = 0.4118 0.2377 0.4923 ( 1134 PWs) bands (ev): -91.6818 -91.6818 -9.1093 -9.1093 1.7556 1.7556 3.6451 3.6451 5.9849 5.9849 16.9303 16.9303 19.6409 19.6409 20.9947 20.9947 21.4001 21.4001 k = 0.4093 0.2363 0.5003 ( 1134 PWs) bands (ev): -91.6818 -91.6818 -9.0856 -9.0856 1.7841 1.7841 3.5555 3.5555 5.9485 5.9485 16.9370 16.9370 19.7129 19.7129 21.0634 21.0634 21.3635 21.3635 k = 0.4069 0.2349 0.5083 ( 1136 PWs) bands (ev): -91.6818 -91.6818 -9.0623 -9.0623 1.8099 1.8099 3.4722 3.4722 5.9127 5.9127 16.9403 16.9403 19.7849 19.7849 21.1315 21.1315 21.3280 21.3280 k = 0.4044 0.2335 0.5163 ( 1136 PWs) bands (ev): -91.6818 -91.6818 -9.0397 -9.0397 1.8323 1.8323 3.3961 3.3961 5.8774 5.8774 16.9406 16.9406 19.8559 19.8559 21.1986 21.1986 21.2940 21.2940 k = 0.4020 0.2321 0.5243 ( 1136 PWs) bands (ev): -91.6817 -91.6817 -9.0176 -9.0176 1.8505 1.8505 3.3281 3.3281 5.8427 5.8427 16.9384 16.9384 19.9250 19.9250 21.2572 21.2572 21.2696 21.2696 k = 0.3995 0.2307 0.5323 ( 1136 PWs) bands (ev): -91.6817 -91.6817 -8.9964 -8.9964 1.8636 1.8636 3.2693 3.2693 5.8087 5.8087 16.9340 16.9340 19.9909 19.9909 21.2310 21.2310 21.3314 21.3314 k = 0.3971 0.2292 0.5403 ( 1134 PWs) bands (ev): -91.6817 -91.6817 -8.9760 -8.9760 1.8710 1.8710 3.2205 3.2205 5.7754 5.7754 16.9280 16.9280 20.0525 20.0525 21.2043 21.2043 21.3959 21.3959 k = 0.3946 0.2278 0.5483 ( 1134 PWs) bands (ev): -91.6817 -91.6817 -8.9566 -8.9566 1.8720 1.8720 3.1824 3.1824 5.7429 5.7429 16.9206 16.9206 20.1087 20.1087 21.1813 21.1813 21.4595 21.4595 k = 0.3922 0.2264 0.5563 ( 1133 PWs) bands (ev): -91.6817 -91.6817 -8.9382 -8.9382 1.8663 1.8663 3.1555 3.1555 5.7113 5.7113 16.9121 16.9121 20.1582 20.1582 21.1626 21.1626 21.5219 21.5219 k = 0.3897 0.2250 0.5643 ( 1135 PWs) bands (ev): -91.6817 -91.6817 -8.9210 -8.9210 1.8541 1.8541 3.1398 3.1398 5.6805 5.6805 16.9029 16.9029 20.2000 20.2000 21.1491 21.1491 21.5833 21.5833 k = 0.3873 0.2236 0.5723 ( 1135 PWs) bands (ev): -91.6817 -91.6817 -8.9050 -8.9050 1.8357 1.8357 3.1350 3.1350 5.6507 5.6507 16.8931 16.8931 20.2333 20.2333 21.1413 21.1413 21.6434 21.6434 k = 0.3848 0.2222 0.5804 ( 1135 PWs) bands (ev): -91.6817 -91.6817 -8.8905 -8.8905 1.8120 1.8120 3.1403 3.1403 5.6218 5.6218 16.8830 16.8830 20.2575 20.2575 21.1392 21.1392 21.7023 21.7023 k = 0.3824 0.2208 0.5884 ( 1136 PWs) bands (ev): -91.6817 -91.6817 -8.8773 -8.8773 1.7840 1.7840 3.1548 3.1548 5.5939 5.5939 16.8727 16.8727 20.2726 20.2726 21.1427 21.1427 21.7600 21.7600 k = 0.3799 0.2193 0.5964 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8657 -8.8657 1.7530 1.7530 3.1774 3.1774 5.5670 5.5670 16.8626 16.8626 20.2790 20.2790 21.1510 21.1510 21.8164 21.8164 k = 0.3775 0.2179 0.6044 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8558 -8.8558 1.7200 1.7200 3.2071 3.2071 5.5413 5.5413 16.8526 16.8526 20.2776 20.2776 21.1631 21.1631 21.8715 21.8715 k = 0.3750 0.2165 0.6124 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8476 -8.8476 1.6862 1.6862 3.2427 3.2427 5.5166 5.5166 16.8429 16.8429 20.2696 20.2696 21.1776 21.1776 21.9252 21.9252 k = 0.6250-0.0722 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8476 -8.8476 1.6862 1.6862 3.2427 3.2427 5.5166 5.5166 16.8429 16.8429 20.2696 20.2696 21.1776 21.1776 21.9252 21.9252 k = 0.6208-0.0794 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8356 -8.8356 1.6294 1.6294 3.3088 3.3088 5.4761 5.4761 16.8262 16.8262 20.2502 20.2502 21.2034 21.2034 22.0155 22.0155 k = 0.6167-0.0866 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8246 -8.8246 1.5744 1.5744 3.3766 3.3766 5.4365 5.4365 16.8082 16.8082 20.2291 20.2291 21.2288 21.2288 22.1056 22.1056 k = 0.6125-0.0938 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.8145 -8.8145 1.5210 1.5210 3.4459 3.4459 5.3980 5.3980 16.7890 16.7890 20.2062 20.2062 21.2538 21.2538 22.1952 22.1952 k = 0.6083-0.1010 0.4082 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.8052 -8.8052 1.4694 1.4694 3.5164 3.5164 5.3604 5.3604 16.7683 16.7683 20.1817 20.1817 21.2784 21.2784 22.2843 22.2843 k = 0.6042-0.1083 0.4082 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7967 -8.7967 1.4195 1.4195 3.5879 3.5879 5.3240 5.3240 16.7464 16.7464 20.1557 20.1557 21.3025 21.3025 22.3725 22.3725 k = 0.6000-0.1155 0.4082 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7890 -8.7890 1.3715 1.3715 3.6601 3.6601 5.2887 5.2887 16.7231 16.7231 20.1282 20.1282 21.3261 21.3261 22.4597 22.4597 k = 0.5958-0.1227 0.4082 ( 1144 PWs) bands (ev): -91.6816 -91.6816 -8.7820 -8.7820 1.3252 1.3252 3.7329 3.7329 5.2545 5.2545 16.6984 16.6984 20.0993 20.0993 21.3490 21.3490 22.5456 22.5456 k = 0.5917-0.1299 0.4082 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.7757 -8.7757 1.2808 1.2808 3.8058 3.8058 5.2215 5.2215 16.6725 16.6725 20.0692 20.0692 21.3713 21.3713 22.6301 22.6301 k = 0.5875-0.1371 0.4082 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.7700 -8.7700 1.2382 1.2382 3.8787 3.8787 5.1898 5.1898 16.6453 16.6453 20.0381 20.0381 21.3929 21.3929 22.7128 22.7128 k = 0.5833-0.1443 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7649 -8.7649 1.1975 1.1975 3.9513 3.9513 5.1593 5.1593 16.6170 16.6170 20.0063 20.0063 21.4138 21.4138 22.7937 22.7937 k = 0.5792-0.1516 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7604 -8.7604 1.1587 1.1587 4.0232 4.0232 5.1301 5.1301 16.5876 16.5876 19.9738 19.9738 21.4339 21.4339 22.8723 22.8723 k = 0.5750-0.1588 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7563 -8.7563 1.1218 1.1218 4.0941 4.0941 5.1022 5.1022 16.5572 16.5572 19.9411 19.9411 21.4532 21.4532 22.9487 22.9487 k = 0.5708-0.1660 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7527 -8.7527 1.0868 1.0868 4.1637 4.1637 5.0757 5.0757 16.5260 16.5260 19.9083 19.9083 21.4717 21.4717 23.0224 23.0224 k = 0.5667-0.1732 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7496 -8.7496 1.0537 1.0537 4.2317 4.2317 5.0506 5.0506 16.4943 16.4943 19.8758 19.8758 21.4892 21.4892 23.0933 23.0933 k = 0.5625-0.1804 0.4082 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7468 -8.7468 1.0225 1.0225 4.2978 4.2978 5.0269 5.0269 16.4622 16.4622 19.8438 19.8438 21.5059 21.5059 23.1612 23.1612 k = 0.5583-0.1876 0.4082 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7444 -8.7444 0.9933 0.9933 4.3617 4.3617 5.0046 5.0046 16.4300 16.4300 19.8126 19.8126 21.5217 21.5217 23.2259 23.2259 k = 0.5542-0.1949 0.4082 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7423 -8.7423 0.9661 0.9661 4.4229 4.4229 4.9838 4.9838 16.3980 16.3980 19.7825 19.7825 21.5364 21.5364 23.2871 23.2871 k = 0.5500-0.2021 0.4082 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7404 -8.7404 0.9409 0.9409 4.4812 4.4812 4.9644 4.9644 16.3664 16.3664 19.7537 19.7537 21.5502 21.5502 23.3447 23.3447 k = 0.5458-0.2093 0.4082 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7389 -8.7389 0.9176 0.9176 4.5363 4.5363 4.9465 4.9465 16.3357 16.3357 19.7264 19.7264 21.5630 21.5630 23.3985 23.3985 k = 0.5417-0.2165 0.4082 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7376 -8.7376 0.8963 0.8963 4.5878 4.5878 4.9302 4.9302 16.3061 16.3061 19.7008 19.7008 21.5747 21.5747 23.4482 23.4482 k = 0.5375-0.2237 0.4082 ( 1134 PWs) bands (ev): -91.6816 -91.6816 -8.7364 -8.7364 0.8771 0.8771 4.6355 4.6355 4.9154 4.9154 16.2781 16.2781 19.6772 19.6772 21.5854 21.5854 23.4938 23.4938 k = 0.5333-0.2309 0.4082 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7355 -8.7355 0.8598 0.8598 4.6789 4.6789 4.9021 4.9021 16.2518 16.2518 19.6557 19.6557 21.5949 21.5949 23.5350 23.5350 k = 0.5292-0.2382 0.4082 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7347 -8.7347 0.8446 0.8446 4.7180 4.7180 4.8904 4.8904 16.2277 16.2277 19.6364 19.6364 21.6035 21.6035 23.5717 23.5717 k = 0.5250-0.2454 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7341 -8.7341 0.8313 0.8313 4.7523 4.7523 4.8803 4.8803 16.2061 16.2061 19.6195 19.6195 21.6109 21.6109 23.6038 23.6038 k = 0.5208-0.2526 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7336 -8.7336 0.8202 0.8202 4.7816 4.7816 4.8719 4.8719 16.1873 16.1873 19.6050 19.6050 21.6171 21.6171 23.6310 23.6310 k = 0.5167-0.2598 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7332 -8.7332 0.8110 0.8110 4.8055 4.8055 4.8653 4.8653 16.1715 16.1715 19.5931 19.5931 21.6223 21.6223 23.6534 23.6534 k = 0.5125-0.2670 0.4082 ( 1136 PWs) bands (ev): -91.6816 -91.6816 -8.7329 -8.7329 0.8039 0.8039 4.8237 4.8237 4.8607 4.8607 16.1590 16.1590 19.5837 19.5837 21.6263 21.6263 23.6704 23.6704 k = 0.5083-0.2742 0.4082 ( 1140 PWs) bands (ev): -91.6816 -91.6816 -8.7326 -8.7326 0.7988 0.7988 4.8355 4.8355 4.8588 4.8588 16.1499 16.1499 19.5770 19.5770 21.6292 21.6292 23.6816 23.6818 k = 0.5042-0.2815 0.4082 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7325 -8.7325 0.7957 0.7957 4.8407 4.8407 4.8596 4.8596 16.1444 16.1444 19.5730 19.5730 21.6309 21.6309 23.6862 23.6862 k = 0.5000-0.2887 0.4082 ( 1138 PWs) bands (ev): -91.6816 -91.6816 -8.7325 -8.7325 0.7947 0.7947 4.8419 4.8419 4.8604 4.8604 16.1426 16.1426 19.5717 19.5717 21.6315 21.6315 23.6866 23.6867 Writing output data file BeO.save init_run : 0.08s CPU 0.31s WALL ( 1 calls) electrons : 25.28s CPU 26.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 25.28s CPU 26.14s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 546 calls) cegterg : 22.50s CPU 23.11s WALL ( 547 calls) Called by sum_band: Called by *egterg: h_psi : 11.58s CPU 12.14s WALL ( 5847 calls) s_psi : 0.12s CPU 0.15s WALL ( 5847 calls) g_psi : 0.02s CPU 0.02s WALL ( 4754 calls) cdiaghg : 10.74s CPU 10.92s WALL ( 5300 calls) cegterg:over : 0.74s CPU 0.70s WALL ( 4754 calls) cegterg:upda : 0.54s CPU 0.54s WALL ( 4754 calls) cegterg:last : 0.26s CPU 0.26s WALL ( 1177 calls) cdiaghg:chol : 0.58s CPU 0.59s WALL ( 5300 calls) cdiaghg:inve : 0.12s CPU 0.13s WALL ( 5300 calls) cdiaghg:para : 0.78s CPU 0.81s WALL ( 10600 calls) Called by h_psi: h_psi:vloc : 11.04s CPU 11.59s WALL ( 5847 calls) h_psi:vnl : 0.52s CPU 0.53s WALL ( 5847 calls) add_vuspsi : 0.20s CPU 0.19s WALL ( 5847 calls) General routines calbec : 0.32s CPU 0.33s WALL ( 5847 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 10.09s CPU 10.60s WALL ( 302900 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.10s WALL ( 1092 calls) Parallel routines fft_scatter : 5.24s CPU 5.51s WALL ( 302923 calls) PWSCF : 32.43s CPU 48.87s WALL This run was terminated on: 14:25:30 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=