Program PWSCF v.5.1.1 starts on 26Aug2015 at 8:16:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BeO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 10 3 616 149 26 Max 27 11 4 620 159 29 Sum 1261 499 163 29627 7391 1291 bravais-lattice index = 14 lattice parameter (alat) = 5.0777 a.u. unit-cell volume = 92.5736 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 10.00 number of Kohn-Sham states= 18 kinetic-energy cutoff = 71.0000 Ry charge density cutoff = 711.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.077705 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: /home/autes/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: /home/autes/Pseudo/Be.rel-pbe-sl-rrkjus_psl.1.0.0.UPF MD5 check sum: 3d54b317f5f631cde3ecbcbec2334fee Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Be 4.00 9.01220 Be( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 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 0.0903615), 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 0.4216868), 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 0.6726191), 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 0.2023809 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 0.7329546), 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 0.4517045), 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 0.1704545 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 0.1576704 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 0.1235795 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 0.0767045 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 0.0639204 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 0.4558823 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 0.4313725 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 0.4068627 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 0.4110169 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 0.5169491), 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 0.5686274), 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 0.4558823 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 0.4436275 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 0.6813726), wk = 0.0018315 k( 502) = ( 0.4068627 0.4068627 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: 29627 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 7391 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 36, 18) NL pseudopotentials 0.01 Mb ( 18, 28) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 620) G-vector shells 0.00 Mb ( 211) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.04 Mb ( 36, 72) Each subspace H/S matrix 0.08 Mb ( 72, 72) 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 38.4 secs Computing kpt #: 2 total cpu time spent up to now is 38.6 secs Computing kpt #: 3 total cpu time spent up to now is 38.7 secs Computing kpt #: 4 total cpu time spent up to now is 38.8 secs Computing kpt #: 5 total cpu time spent up to now is 39.0 secs Computing kpt #: 6 total cpu time spent up to now is 39.1 secs Computing kpt #: 7 total cpu time spent up to now is 39.2 secs Computing kpt #: 8 total cpu time spent up to now is 39.3 secs Computing kpt #: 9 total cpu time spent up to now is 39.4 secs Computing kpt #: 10 total cpu time spent up to now is 39.6 secs Computing kpt #: 11 total cpu time spent up to now is 39.7 secs Computing kpt #: 12 total cpu time spent up to now is 39.8 secs Computing kpt #: 13 total cpu time spent up to now is 39.9 secs Computing kpt #: 14 total cpu time spent up to now is 40.1 secs Computing kpt #: 15 total cpu time spent up to now is 40.2 secs Computing kpt #: 16 total cpu time spent up to now is 40.3 secs Computing kpt #: 17 total cpu time spent up to now is 40.4 secs Computing kpt #: 18 total cpu time spent up to now is 40.5 secs Computing kpt #: 19 total cpu time spent up to now is 40.7 secs Computing kpt #: 20 total cpu time spent up to now is 40.8 secs Computing kpt #: 21 total cpu time spent up to now is 40.9 secs Computing kpt #: 22 total cpu time spent up to now is 41.0 secs Computing kpt #: 23 total cpu time spent up to now is 41.1 secs Computing kpt #: 24 total cpu time spent up to now is 41.3 secs Computing kpt #: 25 total cpu time spent up to now is 41.4 secs Computing kpt #: 26 total cpu time spent up to now is 41.5 secs Computing kpt #: 27 total cpu time spent up to now is 41.6 secs Computing kpt #: 28 total cpu time spent up to now is 41.7 secs Computing kpt #: 29 total cpu time spent up to now is 41.8 secs Computing kpt #: 30 total cpu time spent up to now is 42.0 secs Computing kpt #: 31 total cpu time spent up to now is 42.1 secs Computing kpt #: 32 total cpu time spent up to now is 42.2 secs Computing kpt #: 33 total cpu time spent up to now is 42.3 secs Computing kpt #: 34 total cpu time spent up to now is 42.5 secs Computing kpt #: 35 total cpu time spent up to now is 42.6 secs Computing kpt #: 36 total cpu time spent up to now is 42.7 secs Computing kpt #: 37 total cpu time spent up to now is 42.9 secs Computing kpt #: 38 total cpu time spent up to now is 43.0 secs Computing kpt #: 39 total cpu time spent up to now is 43.2 secs Computing kpt #: 40 total cpu time spent up to now is 43.3 secs Computing kpt #: 41 total cpu time spent up to now is 43.4 secs Computing kpt #: 42 total cpu time spent up to now is 43.6 secs Computing kpt #: 43 total cpu time spent up to now is 43.7 secs Computing kpt #: 44 total cpu time spent up to now is 43.9 secs Computing kpt #: 45 total cpu time spent up to now is 44.0 secs Computing kpt #: 46 total cpu time spent up to now is 44.2 secs Computing kpt #: 47 total cpu time spent up to now is 44.3 secs Computing kpt #: 48 total cpu time spent up to now is 44.5 secs Computing kpt #: 49 total cpu time spent up to now is 44.6 secs Computing kpt #: 50 total cpu time spent up to now is 44.8 secs Computing kpt #: 51 total cpu time spent up to now is 45.0 secs Computing kpt #: 52 total cpu time spent up to now is 45.2 secs Computing kpt #: 53 total cpu time spent up to now is 45.4 secs Computing kpt #: 54 total cpu time spent up to now is 45.6 secs Computing kpt #: 55 total cpu time spent up to now is 45.7 secs Computing kpt #: 56 total cpu time spent up to now is 45.9 secs Computing kpt #: 57 total cpu time spent up to now is 46.1 secs Computing kpt #: 58 total cpu time spent up to now is 46.2 secs Computing kpt #: 59 total cpu time spent up to now is 46.7 secs Computing kpt #: 60 total cpu time spent up to now is 46.8 secs Computing kpt #: 61 total cpu time spent up to now is 47.1 secs Computing kpt #: 62 total cpu time spent up to now is 47.4 secs Computing kpt #: 63 total cpu time spent up to now is 47.7 secs Computing kpt #: 64 total cpu time spent up to now is 47.9 secs Computing kpt #: 65 total cpu time spent up to now is 48.1 secs Computing kpt #: 66 total cpu time spent up to now is 48.5 secs Computing kpt #: 67 total cpu time spent up to now is 49.0 secs Computing kpt #: 68 total cpu time spent up to now is 49.3 secs Computing kpt #: 69 total cpu time spent up to now is 49.6 secs Computing kpt #: 70 total cpu time spent up to now is 50.2 secs Computing kpt #: 71 total cpu time spent up to now is 50.4 secs Computing kpt #: 72 total cpu time spent up to now is 51.1 secs Computing kpt #: 73 total cpu time spent up to now is 51.7 secs Computing kpt #: 74 total cpu time spent up to now is 52.1 secs Computing kpt #: 75 total cpu time spent up to now is 52.3 secs Computing kpt #: 76 total cpu time spent up to now is 52.6 secs Computing kpt #: 77 total cpu time spent up to now is 52.8 secs Computing kpt #: 78 total cpu time spent up to now is 52.9 secs Computing kpt #: 79 total cpu time spent up to now is 53.2 secs Computing kpt #: 80 total cpu time spent up to now is 53.7 secs Computing kpt #: 81 total cpu time spent up to now is 53.9 secs Computing kpt #: 82 total cpu time spent up to now is 54.3 secs Computing kpt #: 83 total cpu time spent up to now is 54.6 secs Computing kpt #: 84 total cpu time spent up to now is 54.8 secs Computing kpt #: 85 total cpu time spent up to now is 55.1 secs Computing kpt #: 86 total cpu time spent up to now is 55.3 secs Computing kpt #: 87 total cpu time spent up to now is 55.7 secs Computing kpt #: 88 total cpu time spent up to now is 56.2 secs Computing kpt #: 89 total cpu time spent up to now is 56.4 secs Computing kpt #: 90 total cpu time spent up to now is 56.7 secs Computing kpt #: 91 total cpu time spent up to now is 56.9 secs Computing kpt #: 92 total cpu time spent up to now is 57.1 secs Computing kpt #: 93 total cpu time spent up to now is 57.3 secs Computing kpt #: 94 total cpu time spent up to now is 57.7 secs Computing kpt #: 95 total cpu time spent up to now is 57.9 secs Computing kpt #: 96 total cpu time spent up to now is 58.0 secs Computing kpt #: 97 total cpu time spent up to now is 58.2 secs Computing kpt #: 98 total cpu time spent up to now is 58.3 secs Computing kpt #: 99 total cpu time spent up to now is 58.5 secs Computing kpt #: 100 total cpu time spent up to now is 58.7 secs Computing kpt #: 101 total cpu time spent up to now is 58.8 secs Computing kpt #: 102 total cpu time spent up to now is 59.0 secs Computing kpt #: 103 total cpu time spent up to now is 59.2 secs Computing kpt #: 104 total cpu time spent up to now is 59.3 secs Computing kpt #: 105 total cpu time spent up to now is 59.5 secs Computing kpt #: 106 total cpu time spent up to now is 59.6 secs Computing kpt #: 107 total cpu time spent up to now is 59.8 secs Computing kpt #: 108 total cpu time spent up to now is 59.9 secs Computing kpt #: 109 total cpu time spent up to now is 60.1 secs Computing kpt #: 110 total cpu time spent up to now is 60.2 secs Computing kpt #: 111 total cpu time spent up to now is 60.4 secs Computing kpt #: 112 total cpu time spent up to now is 60.6 secs Computing kpt #: 113 total cpu time spent up to now is 60.9 secs Computing kpt #: 114 total cpu time spent up to now is 61.1 secs Computing kpt #: 115 total cpu time spent up to now is 61.2 secs Computing kpt #: 116 total cpu time spent up to now is 61.4 secs Computing kpt #: 117 total cpu time spent up to now is 61.6 secs Computing kpt #: 118 total cpu time spent up to now is 61.8 secs Computing kpt #: 119 total cpu time spent up to now is 61.9 secs Computing kpt #: 120 total cpu time spent up to now is 62.1 secs Computing kpt #: 121 total cpu time spent up to now is 62.3 secs Computing kpt #: 122 total cpu time spent up to now is 62.4 secs Computing kpt #: 123 total cpu time spent up to now is 62.6 secs Computing kpt #: 124 total cpu time spent up to now is 62.7 secs Computing kpt #: 125 total cpu time spent up to now is 62.9 secs Computing kpt #: 126 total cpu time spent up to now is 63.0 secs Computing kpt #: 127 total cpu time spent up to now is 63.2 secs Computing kpt #: 128 total cpu time spent up to now is 63.3 secs Computing kpt #: 129 total cpu time spent up to now is 63.5 secs Computing kpt #: 130 total cpu time spent up to now is 63.6 secs Computing kpt #: 131 total cpu time spent up to now is 63.8 secs Computing kpt #: 132 total cpu time spent up to now is 63.9 secs Computing kpt #: 133 total cpu time spent up to now is 64.1 secs Computing kpt #: 134 total cpu time spent up to now is 64.2 secs Computing kpt #: 135 total cpu time spent up to now is 64.4 secs Computing kpt #: 136 total cpu time spent up to now is 64.6 secs Computing kpt #: 137 total cpu time spent up to now is 64.8 secs Computing kpt #: 138 total cpu time spent up to now is 65.2 secs Computing kpt #: 139 total cpu time spent up to now is 65.4 secs Computing kpt #: 140 total cpu time spent up to now is 65.7 secs Computing kpt #: 141 total cpu time spent up to now is 65.8 secs Computing kpt #: 142 total cpu time spent up to now is 66.0 secs Computing kpt #: 143 total cpu time spent up to now is 66.2 secs Computing kpt #: 144 total cpu time spent up to now is 66.4 secs Computing kpt #: 145 total cpu time spent up to now is 66.5 secs Computing kpt #: 146 total cpu time spent up to now is 66.7 secs Computing kpt #: 147 total cpu time spent up to now is 66.9 secs Computing kpt #: 148 total cpu time spent up to now is 67.1 secs Computing kpt #: 149 total cpu time spent up to now is 67.2 secs Computing kpt #: 150 total cpu time spent up to now is 67.4 secs Computing kpt #: 151 total cpu time spent up to now is 67.5 secs Computing kpt #: 152 total cpu time spent up to now is 67.7 secs Computing kpt #: 153 total cpu time spent up to now is 67.8 secs Computing kpt #: 154 total cpu time spent up to now is 68.0 secs Computing kpt #: 155 total cpu time spent up to now is 68.1 secs Computing kpt #: 156 total cpu time spent up to now is 68.3 secs Computing kpt #: 157 total cpu time spent up to now is 68.5 secs Computing kpt #: 158 total cpu time spent up to now is 68.6 secs Computing kpt #: 159 total cpu time spent up to now is 68.8 secs Computing kpt #: 160 total cpu time spent up to now is 68.9 secs Computing kpt #: 161 total cpu time spent up to now is 69.1 secs Computing kpt #: 162 total cpu time spent up to now is 69.2 secs Computing kpt #: 163 total cpu time spent up to now is 69.4 secs Computing kpt #: 164 total cpu time spent up to now is 69.5 secs Computing kpt #: 165 total cpu time spent up to now is 69.7 secs Computing kpt #: 166 total cpu time spent up to now is 69.8 secs Computing kpt #: 167 total cpu time spent up to now is 70.0 secs Computing kpt #: 168 total cpu time spent up to now is 70.1 secs Computing kpt #: 169 total cpu time spent up to now is 70.4 secs Computing kpt #: 170 total cpu time spent up to now is 70.6 secs Computing kpt #: 171 total cpu time spent up to now is 70.7 secs Computing kpt #: 172 total cpu time spent up to now is 71.0 secs Computing kpt #: 173 total cpu time spent up to now is 71.1 secs Computing kpt #: 174 total cpu time spent up to now is 71.4 secs Computing kpt #: 175 total cpu time spent up to now is 71.6 secs Computing kpt #: 176 total cpu time spent up to now is 72.2 secs Computing kpt #: 177 total cpu time spent up to now is 72.5 secs Computing kpt #: 178 total cpu time spent up to now is 72.8 secs Computing kpt #: 179 total cpu time spent up to now is 73.2 secs Computing kpt #: 180 total cpu time spent up to now is 73.6 secs Computing kpt #: 181 total cpu time spent up to now is 74.1 secs Computing kpt #: 182 total cpu time spent up to now is 74.3 secs Computing kpt #: 183 total cpu time spent up to now is 74.5 secs Computing kpt #: 184 total cpu time spent up to now is 74.7 secs Computing kpt #: 185 total cpu time spent up to now is 74.8 secs Computing kpt #: 186 total cpu time spent up to now is 75.0 secs Computing kpt #: 187 total cpu time spent up to now is 75.1 secs Computing kpt #: 188 total cpu time spent up to now is 75.3 secs Computing kpt #: 189 total cpu time spent up to now is 75.4 secs Computing kpt #: 190 total cpu time spent up to now is 75.6 secs Computing kpt #: 191 total cpu time spent up to now is 75.7 secs Computing kpt #: 192 total cpu time spent up to now is 75.9 secs Computing kpt #: 193 total cpu time spent up to now is 76.0 secs Computing kpt #: 194 total cpu time spent up to now is 76.2 secs Computing kpt #: 195 total cpu time spent up to now is 76.3 secs Computing kpt #: 196 total cpu time spent up to now is 76.4 secs Computing kpt #: 197 total cpu time spent up to now is 76.5 secs Computing kpt #: 198 total cpu time spent up to now is 76.6 secs Computing kpt #: 199 total cpu time spent up to now is 76.7 secs Computing kpt #: 200 total cpu time spent up to now is 76.9 secs Computing kpt #: 201 total cpu time spent up to now is 77.0 secs Computing kpt #: 202 total cpu time spent up to now is 77.1 secs Computing kpt #: 203 total cpu time spent up to now is 77.2 secs Computing kpt #: 204 total cpu time spent up to now is 77.3 secs Computing kpt #: 205 total cpu time spent up to now is 77.4 secs Computing kpt #: 206 total cpu time spent up to now is 77.6 secs Computing kpt #: 207 total cpu time spent up to now is 77.7 secs Computing kpt #: 208 total cpu time spent up to now is 77.8 secs Computing kpt #: 209 total cpu time spent up to now is 77.9 secs Computing kpt #: 210 total cpu time spent up to now is 78.0 secs Computing kpt #: 211 total cpu time spent up to now is 78.2 secs Computing kpt #: 212 total cpu time spent up to now is 78.3 secs Computing kpt #: 213 total cpu time spent up to now is 78.5 secs Computing kpt #: 214 total cpu time spent up to now is 78.6 secs Computing kpt #: 215 total cpu time spent up to now is 78.8 secs Computing kpt #: 216 total cpu time spent up to now is 78.9 secs Computing kpt #: 217 total cpu time spent up to now is 79.1 secs Computing kpt #: 218 total cpu time spent up to now is 79.2 secs Computing kpt #: 219 total cpu time spent up to now is 79.4 secs Computing kpt #: 220 total cpu time spent up to now is 79.5 secs Computing kpt #: 221 total cpu time spent up to now is 79.6 secs Computing kpt #: 222 total cpu time spent up to now is 79.8 secs Computing kpt #: 223 total cpu time spent up to now is 79.9 secs Computing kpt #: 224 total cpu time spent up to now is 80.1 secs Computing kpt #: 225 total cpu time spent up to now is 80.2 secs Computing kpt #: 226 total cpu time spent up to now is 80.4 secs Computing kpt #: 227 total cpu time spent up to now is 80.5 secs Computing kpt #: 228 total cpu time spent up to now is 80.6 secs Computing kpt #: 229 total cpu time spent up to now is 80.8 secs Computing kpt #: 230 total cpu time spent up to now is 80.9 secs Computing kpt #: 231 total cpu time spent up to now is 81.0 secs Computing kpt #: 232 total cpu time spent up to now is 81.1 secs Computing kpt #: 233 total cpu time spent up to now is 81.2 secs Computing kpt #: 234 total cpu time spent up to now is 81.4 secs Computing kpt #: 235 total cpu time spent up to now is 81.5 secs Computing kpt #: 236 total cpu time spent up to now is 81.6 secs Computing kpt #: 237 total cpu time spent up to now is 81.7 secs Computing kpt #: 238 total cpu time spent up to now is 81.8 secs Computing kpt #: 239 total cpu time spent up to now is 82.0 secs Computing kpt #: 240 total cpu time spent up to now is 82.1 secs Computing kpt #: 241 total cpu time spent up to now is 82.2 secs Computing kpt #: 242 total cpu time spent up to now is 82.3 secs Computing kpt #: 243 total cpu time spent up to now is 82.5 secs Computing kpt #: 244 total cpu time spent up to now is 82.6 secs Computing kpt #: 245 total cpu time spent up to now is 82.8 secs Computing kpt #: 246 total cpu time spent up to now is 83.0 secs Computing kpt #: 247 total cpu time spent up to now is 83.1 secs Computing kpt #: 248 total cpu time spent up to now is 83.2 secs Computing kpt #: 249 total cpu time spent up to now is 83.3 secs Computing kpt #: 250 total cpu time spent up to now is 83.5 secs Computing kpt #: 251 total cpu time spent up to now is 83.6 secs Computing kpt #: 252 total cpu time spent up to now is 83.8 secs Computing kpt #: 253 total cpu time spent up to now is 84.0 secs Computing kpt #: 254 total cpu time spent up to now is 84.2 secs Computing kpt #: 255 total cpu time spent up to now is 84.3 secs Computing kpt #: 256 total cpu time spent up to now is 84.5 secs Computing kpt #: 257 total cpu time spent up to now is 84.6 secs Computing kpt #: 258 total cpu time spent up to now is 84.8 secs Computing kpt #: 259 total cpu time spent up to now is 84.9 secs Computing kpt #: 260 total cpu time spent up to now is 85.0 secs Computing kpt #: 261 total cpu time spent up to now is 85.1 secs Computing kpt #: 262 total cpu time spent up to now is 85.2 secs Computing kpt #: 263 total cpu time spent up to now is 85.3 secs Computing kpt #: 264 total cpu time spent up to now is 85.5 secs Computing kpt #: 265 total cpu time spent up to now is 85.6 secs Computing kpt #: 266 total cpu time spent up to now is 85.7 secs Computing kpt #: 267 total cpu time spent up to now is 85.8 secs Computing kpt #: 268 total cpu time spent up to now is 85.9 secs Computing kpt #: 269 total cpu time spent up to now is 86.0 secs Computing kpt #: 270 total cpu time spent up to now is 86.2 secs Computing kpt #: 271 total cpu time spent up to now is 86.3 secs Computing kpt #: 272 total cpu time spent up to now is 86.4 secs Computing kpt #: 273 total cpu time spent up to now is 86.5 secs Computing kpt #: 274 total cpu time spent up to now is 86.6 secs Computing kpt #: 275 total cpu time spent up to now is 86.7 secs Computing kpt #: 276 total cpu time spent up to now is 86.9 secs Computing kpt #: 277 total cpu time spent up to now is 87.0 secs Computing kpt #: 278 total cpu time spent up to now is 87.1 secs Computing kpt #: 279 total cpu time spent up to now is 87.2 secs Computing kpt #: 280 total cpu time spent up to now is 87.3 secs Computing kpt #: 281 total cpu time spent up to now is 87.4 secs Computing kpt #: 282 total cpu time spent up to now is 87.6 secs Computing kpt #: 283 total cpu time spent up to now is 87.7 secs Computing kpt #: 284 total cpu time spent up to now is 87.8 secs Computing kpt #: 285 total cpu time spent up to now is 87.9 secs Computing kpt #: 286 total cpu time spent up to now is 88.0 secs Computing kpt #: 287 total cpu time spent up to now is 88.1 secs Computing kpt #: 288 total cpu time spent up to now is 88.5 secs Computing kpt #: 289 total cpu time spent up to now is 88.7 secs Computing kpt #: 290 total cpu time spent up to now is 88.9 secs Computing kpt #: 291 total cpu time spent up to now is 89.4 secs Computing kpt #: 292 total cpu time spent up to now is 89.7 secs Computing kpt #: 293 total cpu time spent up to now is 90.2 secs Computing kpt #: 294 total cpu time spent up to now is 90.6 secs Computing kpt #: 295 total cpu time spent up to now is 90.9 secs Computing kpt #: 296 total cpu time spent up to now is 91.3 secs Computing kpt #: 297 total cpu time spent up to now is 91.7 secs Computing kpt #: 298 total cpu time spent up to now is 92.1 secs Computing kpt #: 299 total cpu time spent up to now is 92.3 secs Computing kpt #: 300 total cpu time spent up to now is 92.5 secs Computing kpt #: 301 total cpu time spent up to now is 92.8 secs Computing kpt #: 302 total cpu time spent up to now is 93.1 secs Computing kpt #: 303 total cpu time spent up to now is 93.6 secs Computing kpt #: 304 total cpu time spent up to now is 94.0 secs Computing kpt #: 305 total cpu time spent up to now is 94.4 secs Computing kpt #: 306 total cpu time spent up to now is 94.8 secs Computing kpt #: 307 total cpu time spent up to now is 95.1 secs Computing kpt #: 308 total cpu time spent up to now is 95.3 secs Computing kpt #: 309 total cpu time spent up to now is 95.5 secs Computing kpt #: 310 total cpu time spent up to now is 95.7 secs Computing kpt #: 311 total cpu time spent up to now is 95.9 secs Computing kpt #: 312 total cpu time spent up to now is 96.0 secs Computing kpt #: 313 total cpu time spent up to now is 96.1 secs Computing kpt #: 314 total cpu time spent up to now is 96.2 secs Computing kpt #: 315 total cpu time spent up to now is 96.4 secs Computing kpt #: 316 total cpu time spent up to now is 96.7 secs Computing kpt #: 317 total cpu time spent up to now is 97.0 secs Computing kpt #: 318 total cpu time spent up to now is 97.1 secs Computing kpt #: 319 total cpu time spent up to now is 97.3 secs Computing kpt #: 320 total cpu time spent up to now is 97.4 secs Computing kpt #: 321 total cpu time spent up to now is 97.5 secs Computing kpt #: 322 total cpu time spent up to now is 97.6 secs Computing kpt #: 323 total cpu time spent up to now is 97.8 secs Computing kpt #: 324 total cpu time spent up to now is 97.9 secs Computing kpt #: 325 total cpu time spent up to now is 98.0 secs Computing kpt #: 326 total cpu time spent up to now is 98.2 secs Computing kpt #: 327 total cpu time spent up to now is 98.3 secs Computing kpt #: 328 total cpu time spent up to now is 98.4 secs Computing kpt #: 329 total cpu time spent up to now is 98.6 secs Computing kpt #: 330 total cpu time spent up to now is 98.8 secs Computing kpt #: 331 total cpu time spent up to now is 99.1 secs Computing kpt #: 332 total cpu time spent up to now is 99.3 secs Computing kpt #: 333 total cpu time spent up to now is 99.4 secs Computing kpt #: 334 total cpu time spent up to now is 99.5 secs Computing kpt #: 335 total cpu time spent up to now is 99.6 secs Computing kpt #: 336 total cpu time spent up to now is 99.7 secs Computing kpt #: 337 total cpu time spent up to now is 99.9 secs Computing kpt #: 338 total cpu time spent up to now is 100.0 secs Computing kpt #: 339 total cpu time spent up to now is 100.1 secs Computing kpt #: 340 total cpu time spent up to now is 100.2 secs Computing kpt #: 341 total cpu time spent up to now is 100.3 secs Computing kpt #: 342 total cpu time spent up to now is 100.5 secs Computing kpt #: 343 total cpu time spent up to now is 100.6 secs Computing kpt #: 344 total cpu time spent up to now is 100.7 secs Computing kpt #: 345 total cpu time spent up to now is 100.8 secs Computing kpt #: 346 total cpu time spent up to now is 101.0 secs Computing kpt #: 347 total cpu time spent up to now is 101.7 secs Computing kpt #: 348 total cpu time spent up to now is 102.0 secs Computing kpt #: 349 total cpu time spent up to now is 102.3 secs Computing kpt #: 350 total cpu time spent up to now is 102.4 secs Computing kpt #: 351 total cpu time spent up to now is 102.6 secs Computing kpt #: 352 total cpu time spent up to now is 102.7 secs Computing kpt #: 353 total cpu time spent up to now is 102.9 secs Computing kpt #: 354 total cpu time spent up to now is 103.0 secs Computing kpt #: 355 total cpu time spent up to now is 103.1 secs Computing kpt #: 356 total cpu time spent up to now is 103.3 secs Computing kpt #: 357 total cpu time spent up to now is 103.4 secs Computing kpt #: 358 total cpu time spent up to now is 103.6 secs Computing kpt #: 359 total cpu time spent up to now is 103.7 secs Computing kpt #: 360 total cpu time spent up to now is 103.8 secs Computing kpt #: 361 total cpu time spent up to now is 104.0 secs Computing kpt #: 362 total cpu time spent up to now is 104.1 secs Computing kpt #: 363 total cpu time spent up to now is 104.3 secs Computing kpt #: 364 total cpu time spent up to now is 104.4 secs Computing kpt #: 365 total cpu time spent up to now is 104.9 secs Computing kpt #: 366 total cpu time spent up to now is 105.0 secs Computing kpt #: 367 total cpu time spent up to now is 105.2 secs Computing kpt #: 368 total cpu time spent up to now is 105.3 secs Computing kpt #: 369 total cpu time spent up to now is 105.5 secs Computing kpt #: 370 total cpu time spent up to now is 105.6 secs Computing kpt #: 371 total cpu time spent up to now is 105.8 secs Computing kpt #: 372 total cpu time spent up to now is 105.9 secs Computing kpt #: 373 total cpu time spent up to now is 106.1 secs Computing kpt #: 374 total cpu time spent up to now is 106.4 secs Computing kpt #: 375 total cpu time spent up to now is 106.9 secs Computing kpt #: 376 total cpu time spent up to now is 107.0 secs Computing kpt #: 377 total cpu time spent up to now is 107.6 secs Computing kpt #: 378 total cpu time spent up to now is 107.7 secs Computing kpt #: 379 total cpu time spent up to now is 107.9 secs Computing kpt #: 380 total cpu time spent up to now is 108.0 secs Computing kpt #: 381 total cpu time spent up to now is 108.2 secs Computing kpt #: 382 total cpu time spent up to now is 108.4 secs Computing kpt #: 383 total cpu time spent up to now is 108.6 secs Computing kpt #: 384 total cpu time spent up to now is 108.9 secs Computing kpt #: 385 total cpu time spent up to now is 109.2 secs Computing kpt #: 386 total cpu time spent up to now is 109.4 secs Computing kpt #: 387 total cpu time spent up to now is 109.6 secs Computing kpt #: 388 total cpu time spent up to now is 109.8 secs Computing kpt #: 389 total cpu time spent up to now is 110.0 secs Computing kpt #: 390 total cpu time spent up to now is 110.2 secs Computing kpt #: 391 total cpu time spent up to now is 110.3 secs Computing kpt #: 392 total cpu time spent up to now is 110.5 secs Computing kpt #: 393 total cpu time spent up to now is 110.7 secs Computing kpt #: 394 total cpu time spent up to now is 110.8 secs Computing kpt #: 395 total cpu time spent up to now is 111.0 secs Computing kpt #: 396 total cpu time spent up to now is 111.1 secs Computing kpt #: 397 total cpu time spent up to now is 111.2 secs Computing kpt #: 398 total cpu time spent up to now is 111.4 secs Computing kpt #: 399 total cpu time spent up to now is 111.5 secs Computing kpt #: 400 total cpu time spent up to now is 111.7 secs Computing kpt #: 401 total cpu time spent up to now is 111.8 secs Computing kpt #: 402 total cpu time spent up to now is 112.0 secs Computing kpt #: 403 total cpu time spent up to now is 112.1 secs Computing kpt #: 404 total cpu time spent up to now is 112.3 secs Computing kpt #: 405 total cpu time spent up to now is 112.7 secs Computing kpt #: 406 total cpu time spent up to now is 112.9 secs Computing kpt #: 407 total cpu time spent up to now is 113.1 secs Computing kpt #: 408 total cpu time spent up to now is 113.3 secs Computing kpt #: 409 total cpu time spent up to now is 113.5 secs Computing kpt #: 410 total cpu time spent up to now is 113.6 secs Computing kpt #: 411 total cpu time spent up to now is 113.8 secs Computing kpt #: 412 total cpu time spent up to now is 113.9 secs Computing kpt #: 413 total cpu time spent up to now is 114.1 secs Computing kpt #: 414 total cpu time spent up to now is 114.2 secs Computing kpt #: 415 total cpu time spent up to now is 114.4 secs Computing kpt #: 416 total cpu time spent up to now is 114.5 secs Computing kpt #: 417 total cpu time spent up to now is 114.7 secs Computing kpt #: 418 total cpu time spent up to now is 114.8 secs Computing kpt #: 419 total cpu time spent up to now is 115.0 secs Computing kpt #: 420 total cpu time spent up to now is 115.1 secs Computing kpt #: 421 total cpu time spent up to now is 115.3 secs Computing kpt #: 422 total cpu time spent up to now is 115.4 secs Computing kpt #: 423 total cpu time spent up to now is 115.5 secs Computing kpt #: 424 total cpu time spent up to now is 115.7 secs Computing kpt #: 425 total cpu time spent up to now is 115.8 secs Computing kpt #: 426 total cpu time spent up to now is 116.0 secs Computing kpt #: 427 total cpu time spent up to now is 116.1 secs Computing kpt #: 428 total cpu time spent up to now is 116.3 secs Computing kpt #: 429 total cpu time spent up to now is 116.4 secs Computing kpt #: 430 total cpu time spent up to now is 116.5 secs Computing kpt #: 431 total cpu time spent up to now is 116.7 secs Computing kpt #: 432 total cpu time spent up to now is 116.8 secs Computing kpt #: 433 total cpu time spent up to now is 117.0 secs Computing kpt #: 434 total cpu time spent up to now is 117.1 secs Computing kpt #: 435 total cpu time spent up to now is 117.2 secs Computing kpt #: 436 total cpu time spent up to now is 117.3 secs Computing kpt #: 437 total cpu time spent up to now is 117.4 secs Computing kpt #: 438 total cpu time spent up to now is 117.6 secs Computing kpt #: 439 total cpu time spent up to now is 117.7 secs Computing kpt #: 440 total cpu time spent up to now is 117.8 secs Computing kpt #: 441 total cpu time spent up to now is 117.9 secs Computing kpt #: 442 total cpu time spent up to now is 118.1 secs Computing kpt #: 443 total cpu time spent up to now is 118.2 secs Computing kpt #: 444 total cpu time spent up to now is 118.6 secs Computing kpt #: 445 total cpu time spent up to now is 118.7 secs Computing kpt #: 446 total cpu time spent up to now is 118.9 secs Computing kpt #: 447 total cpu time spent up to now is 119.2 secs Computing kpt #: 448 total cpu time spent up to now is 119.4 secs Computing kpt #: 449 total cpu time spent up to now is 120.0 secs Computing kpt #: 450 total cpu time spent up to now is 120.2 secs Computing kpt #: 451 total cpu time spent up to now is 120.4 secs Computing kpt #: 452 total cpu time spent up to now is 120.8 secs Computing kpt #: 453 total cpu time spent up to now is 121.0 secs Computing kpt #: 454 total cpu time spent up to now is 121.2 secs Computing kpt #: 455 total cpu time spent up to now is 121.3 secs Computing kpt #: 456 total cpu time spent up to now is 121.6 secs Computing kpt #: 457 total cpu time spent up to now is 121.9 secs Computing kpt #: 458 total cpu time spent up to now is 122.1 secs Computing kpt #: 459 total cpu time spent up to now is 122.3 secs Computing kpt #: 460 total cpu time spent up to now is 122.5 secs Computing kpt #: 461 total cpu time spent up to now is 122.7 secs Computing kpt #: 462 total cpu time spent up to now is 122.8 secs Computing kpt #: 463 total cpu time spent up to now is 123.0 secs Computing kpt #: 464 total cpu time spent up to now is 123.1 secs Computing kpt #: 465 total cpu time spent up to now is 123.3 secs Computing kpt #: 466 total cpu time spent up to now is 123.5 secs Computing kpt #: 467 total cpu time spent up to now is 123.6 secs Computing kpt #: 468 total cpu time spent up to now is 123.9 secs Computing kpt #: 469 total cpu time spent up to now is 124.1 secs Computing kpt #: 470 total cpu time spent up to now is 124.3 secs Computing kpt #: 471 total cpu time spent up to now is 124.5 secs Computing kpt #: 472 total cpu time spent up to now is 124.7 secs Computing kpt #: 473 total cpu time spent up to now is 124.9 secs Computing kpt #: 474 total cpu time spent up to now is 125.0 secs Computing kpt #: 475 total cpu time spent up to now is 125.2 secs Computing kpt #: 476 total cpu time spent up to now is 125.3 secs Computing kpt #: 477 total cpu time spent up to now is 125.5 secs Computing kpt #: 478 total cpu time spent up to now is 125.6 secs Computing kpt #: 479 total cpu time spent up to now is 125.7 secs Computing kpt #: 480 total cpu time spent up to now is 125.8 secs Computing kpt #: 481 total cpu time spent up to now is 125.9 secs Computing kpt #: 482 total cpu time spent up to now is 126.0 secs Computing kpt #: 483 total cpu time spent up to now is 126.2 secs Computing kpt #: 484 total cpu time spent up to now is 126.3 secs Computing kpt #: 485 total cpu time spent up to now is 126.4 secs Computing kpt #: 486 total cpu time spent up to now is 126.5 secs Computing kpt #: 487 total cpu time spent up to now is 126.6 secs Computing kpt #: 488 total cpu time spent up to now is 126.8 secs Computing kpt #: 489 total cpu time spent up to now is 126.9 secs Computing kpt #: 490 total cpu time spent up to now is 127.0 secs Computing kpt #: 491 total cpu time spent up to now is 127.1 secs Computing kpt #: 492 total cpu time spent up to now is 127.3 secs Computing kpt #: 493 total cpu time spent up to now is 127.4 secs Computing kpt #: 494 total cpu time spent up to now is 127.5 secs Computing kpt #: 495 total cpu time spent up to now is 127.7 secs Computing kpt #: 496 total cpu time spent up to now is 128.0 secs Computing kpt #: 497 total cpu time spent up to now is 128.1 secs Computing kpt #: 498 total cpu time spent up to now is 128.3 secs Computing kpt #: 499 total cpu time spent up to now is 128.5 secs Computing kpt #: 500 total cpu time spent up to now is 128.6 secs Computing kpt #: 501 total cpu time spent up to now is 128.8 secs Computing kpt #: 502 total cpu time spent up to now is 128.9 secs Computing kpt #: 503 total cpu time spent up to now is 129.1 secs Computing kpt #: 504 total cpu time spent up to now is 129.2 secs Computing kpt #: 505 total cpu time spent up to now is 129.5 secs Computing kpt #: 506 total cpu time spent up to now is 129.9 secs Computing kpt #: 507 total cpu time spent up to now is 130.3 secs Computing kpt #: 508 total cpu time spent up to now is 130.6 secs Computing kpt #: 509 total cpu time spent up to now is 131.0 secs Computing kpt #: 510 total cpu time spent up to now is 131.2 secs Computing kpt #: 511 total cpu time spent up to now is 131.4 secs Computing kpt #: 512 total cpu time spent up to now is 131.8 secs Computing kpt #: 513 total cpu time spent up to now is 132.0 secs Computing kpt #: 514 total cpu time spent up to now is 132.3 secs Computing kpt #: 515 total cpu time spent up to now is 132.5 secs Computing kpt #: 516 total cpu time spent up to now is 132.7 secs Computing kpt #: 517 total cpu time spent up to now is 132.9 secs Computing kpt #: 518 total cpu time spent up to now is 133.1 secs Computing kpt #: 519 total cpu time spent up to now is 133.2 secs Computing kpt #: 520 total cpu time spent up to now is 133.4 secs Computing kpt #: 521 total cpu time spent up to now is 133.5 secs Computing kpt #: 522 total cpu time spent up to now is 133.7 secs Computing kpt #: 523 total cpu time spent up to now is 133.9 secs Computing kpt #: 524 total cpu time spent up to now is 134.0 secs Computing kpt #: 525 total cpu time spent up to now is 134.2 secs Computing kpt #: 526 total cpu time spent up to now is 134.3 secs Computing kpt #: 527 total cpu time spent up to now is 134.5 secs Computing kpt #: 528 total cpu time spent up to now is 134.8 secs Computing kpt #: 529 total cpu time spent up to now is 135.0 secs Computing kpt #: 530 total cpu time spent up to now is 135.1 secs Computing kpt #: 531 total cpu time spent up to now is 135.4 secs Computing kpt #: 532 total cpu time spent up to now is 135.6 secs Computing kpt #: 533 total cpu time spent up to now is 135.8 secs Computing kpt #: 534 total cpu time spent up to now is 136.0 secs Computing kpt #: 535 total cpu time spent up to now is 136.2 secs Computing kpt #: 536 total cpu time spent up to now is 136.4 secs Computing kpt #: 537 total cpu time spent up to now is 136.6 secs Computing kpt #: 538 total cpu time spent up to now is 136.9 secs Computing kpt #: 539 total cpu time spent up to now is 137.1 secs Computing kpt #: 540 total cpu time spent up to now is 137.3 secs Computing kpt #: 541 total cpu time spent up to now is 137.5 secs Computing kpt #: 542 total cpu time spent up to now is 137.8 secs Computing kpt #: 543 total cpu time spent up to now is 138.0 secs Computing kpt #: 544 total cpu time spent up to now is 138.2 secs Computing kpt #: 545 total cpu time spent up to now is 138.4 secs Computing kpt #: 546 total cpu time spent up to now is 138.6 secs ethr = 1.00E-10, avg # of iterations = 15.8 total cpu time spent up to now is 138.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4380 -12.4380 6.2061 6.2061 6.2436 6.2436 6.2436 6.2436 13.8490 13.8490 21.0523 21.0523 21.0562 21.0562 21.0562 21.0562 k = 0.0060-0.0035 0.0049 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4373 -12.4373 6.2045 6.2045 6.2414 6.2414 6.2425 6.2425 13.8516 13.8516 21.0533 21.0533 21.0569 21.0569 21.0577 21.0577 k = 0.0120-0.0070 0.0098 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4354 -12.4354 6.1993 6.1993 6.2351 6.2351 6.2390 6.2390 13.8594 13.8594 21.0547 21.0547 21.0605 21.0605 21.0624 21.0624 k = 0.0181-0.0104 0.0148 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4321 -12.4321 6.1900 6.1900 6.2253 6.2253 6.2332 6.2332 13.8723 13.8723 21.0556 21.0556 21.0679 21.0679 21.0702 21.0702 k = 0.0241-0.0139 0.0197 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4274 -12.4274 6.1759 6.1759 6.2129 6.2129 6.2251 6.2251 13.8902 13.8902 21.0565 21.0565 21.0787 21.0787 21.0810 21.0810 k = 0.0301-0.0174 0.0246 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4215 -12.4215 6.1559 6.1559 6.1989 6.1989 6.2147 6.2147 13.9130 13.9130 21.0576 21.0576 21.0926 21.0926 21.0950 21.0950 k = 0.0361-0.0209 0.0295 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4143 -12.4143 6.1298 6.1298 6.1837 6.1837 6.2021 6.2021 13.9405 13.9405 21.0590 21.0590 21.1097 21.1097 21.1119 21.1119 k = 0.0422-0.0243 0.0344 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4057 -12.4057 6.0981 6.0981 6.1672 6.1672 6.1873 6.1873 13.9724 13.9724 21.0608 21.0608 21.1297 21.1297 21.1319 21.1319 k = 0.0482-0.0278 0.0393 ( 933 PWs) bands (ev): -90.3772 -90.3772 -12.3959 -12.3959 6.0613 6.0613 6.1491 6.1491 6.1703 6.1703 14.0085 14.0085 21.0629 21.0629 21.1528 21.1528 21.1549 21.1549 k = 0.0542-0.0313 0.0443 ( 933 PWs) bands (ev): -90.3772 -90.3772 -12.3847 -12.3847 6.0196 6.0196 6.1293 6.1293 6.1511 6.1511 14.0485 14.0485 21.0656 21.0656 21.1788 21.1788 21.1808 21.1808 k = 0.0602-0.0348 0.0492 ( 933 PWs) bands (ev): -90.3772 -90.3772 -12.3723 -12.3723 5.9734 5.9734 6.1076 6.1076 6.1299 6.1299 14.0921 14.0921 21.0688 21.0688 21.2077 21.2077 21.2097 21.2097 k = 0.0663-0.0383 0.0541 ( 933 PWs) bands (ev): -90.3772 -90.3772 -12.3586 -12.3586 5.9231 5.9231 6.0840 6.0840 6.1067 6.1067 14.1390 14.1390 21.0727 21.0727 21.2394 21.2394 21.2413 21.2413 k = 0.0723-0.0417 0.0590 ( 933 PWs) bands (ev): -90.3771 -90.3771 -12.3437 -12.3437 5.8689 5.8689 6.0586 6.0586 6.0815 6.0815 14.1887 14.1887 21.0772 21.0772 21.2740 21.2740 21.2758 21.2758 k = 0.0783-0.0452 0.0639 ( 933 PWs) bands (ev): -90.3771 -90.3771 -12.3275 -12.3275 5.8111 5.8111 6.0314 6.0314 6.0544 6.0544 14.2410 14.2410 21.0826 21.0826 21.3112 21.3112 21.3130 21.3130 k = 0.0843-0.0487 0.0689 ( 933 PWs) bands (ev): -90.3771 -90.3771 -12.3101 -12.3101 5.7499 5.7499 6.0023 6.0023 6.0254 6.0254 14.2955 14.2955 21.0889 21.0889 21.3512 21.3512 21.3528 21.3528 k = 0.0904-0.0522 0.0738 ( 933 PWs) bands (ev): -90.3770 -90.3770 -12.2914 -12.2914 5.6857 5.6857 5.9716 5.9716 5.9947 5.9947 14.3516 14.3516 21.0963 21.0963 21.3938 21.3938 21.3953 21.3953 k = 0.0964-0.0556 0.0787 ( 933 PWs) bands (ev): -90.3770 -90.3770 -12.2715 -12.2715 5.6186 5.6186 5.9392 5.9392 5.9623 5.9623 14.4092 14.4092 21.1048 21.1048 21.4389 21.4389 21.4404 21.4404 k = 0.1024-0.0591 0.0836 ( 933 PWs) bands (ev): -90.3770 -90.3770 -12.2504 -12.2504 5.5488 5.5488 5.9051 5.9051 5.9283 5.9283 14.4677 14.4677 21.1146 21.1146 21.4865 21.4865 21.4879 21.4879 k = 0.1084-0.0626 0.0885 ( 937 PWs) bands (ev): -90.3769 -90.3769 -12.2282 -12.2282 5.4767 5.4767 5.8696 5.8696 5.8927 5.8927 14.5266 14.5266 21.1258 21.1258 21.5364 21.5364 21.5378 21.5378 k = 0.1145-0.0661 0.0935 ( 937 PWs) bands (ev): -90.3769 -90.3769 -12.2048 -12.2048 5.4024 5.4024 5.8326 5.8326 5.8557 5.8557 14.5857 14.5857 21.1385 21.1385 21.5887 21.5887 21.5901 21.5901 k = 0.1205-0.0696 0.0984 ( 937 PWs) bands (ev): -90.3768 -90.3768 -12.1802 -12.1802 5.3262 5.3262 5.7943 5.7943 5.8173 5.8173 14.6444 14.6444 21.1528 21.1528 21.6432 21.6432 21.6447 21.6447 k = 0.1265-0.0730 0.1033 ( 937 PWs) bands (ev): -90.3768 -90.3768 -12.1545 -12.1545 5.2483 5.2483 5.7547 5.7547 5.7776 5.7776 14.7024 14.7024 21.1689 21.1689 21.6999 21.6999 21.7015 21.7015 k = 0.1325-0.0765 0.1082 ( 937 PWs) bands (ev): -90.3767 -90.3767 -12.1278 -12.1278 5.1687 5.1687 5.7138 5.7138 5.7367 5.7367 14.7592 14.7592 21.1870 21.1870 21.7587 21.7587 21.7603 21.7603 k = 0.1386-0.0800 0.1131 ( 929 PWs) bands (ev): -90.3767 -90.3767 -12.0999 -12.0999 5.0879 5.0879 5.6720 5.6720 5.6947 5.6947 14.8145 14.8145 21.2070 21.2070 21.8195 21.8195 21.8213 21.8213 k = 0.1446-0.0835 0.1180 ( 929 PWs) bands (ev): -90.3766 -90.3766 -12.0710 -12.0710 5.0058 5.0058 5.6290 5.6290 5.6516 5.6516 14.8677 14.8677 21.2292 21.2292 21.8822 21.8822 21.8842 21.8842 k = 0.1506-0.0870 0.1230 ( 929 PWs) bands (ev): -90.3766 -90.3766 -12.0411 -12.0411 4.9227 4.9227 5.5850 5.5850 5.6076 5.6076 14.9186 14.9186 21.2537 21.2537 21.9467 21.9467 21.9489 21.9489 k = 0.1566-0.0904 0.1279 ( 929 PWs) bands (ev): -90.3765 -90.3765 -12.0101 -12.0101 4.8388 4.8388 5.5402 5.5402 5.5626 5.5626 14.9666 14.9666 21.2805 21.2805 22.0131 22.0131 22.0154 22.0154 k = 0.1627-0.0939 0.1328 ( 929 PWs) bands (ev): -90.3765 -90.3765 -11.9782 -11.9782 4.7541 4.7541 5.4947 5.4947 5.5169 5.5169 15.0116 15.0116 21.3097 21.3097 22.0811 22.0811 22.0837 22.0837 k = 0.1687-0.0974 0.1377 ( 929 PWs) bands (ev): -90.3764 -90.3764 -11.9453 -11.9453 4.6689 4.6689 5.4484 5.4484 5.4705 5.4705 15.0530 15.0530 21.3414 21.3414 22.1508 22.1508 22.1536 22.1536 k = 0.1747-0.1009 0.1426 ( 929 PWs) bands (ev): -90.3763 -90.3763 -11.9116 -11.9116 4.5832 4.5832 5.4015 5.4015 5.4235 5.4235 15.0906 15.0906 21.3755 21.3755 22.2219 22.2219 22.2250 22.2250 k = 0.1807-0.1043 0.1476 ( 933 PWs) bands (ev): -90.3763 -90.3763 -11.8769 -11.8769 4.4972 4.4972 5.3541 5.3541 5.3760 5.3760 15.1241 15.1241 21.4122 21.4122 22.2945 22.2945 22.2978 22.2978 k = 0.1867-0.1078 0.1525 ( 934 PWs) bands (ev): -90.3762 -90.3762 -11.8414 -11.8414 4.4111 4.4111 5.3062 5.3062 5.3280 5.3280 15.1532 15.1532 21.4514 21.4514 22.3685 22.3685 22.3721 22.3721 k = 0.1928-0.1113 0.1574 ( 926 PWs) bands (ev): -90.3761 -90.3761 -11.8051 -11.8051 4.3249 4.3249 5.2580 5.2580 5.2796 5.2796 15.1776 15.1776 21.4930 21.4930 22.4438 22.4438 22.4476 22.4476 k = 0.1988-0.1148 0.1623 ( 926 PWs) bands (ev): -90.3761 -90.3761 -11.7680 -11.7680 4.2387 4.2387 5.2094 5.2094 5.2309 5.2309 15.1972 15.1972 21.5370 21.5370 22.5203 22.5203 22.5243 22.5243 k = 0.2048-0.1183 0.1672 ( 926 PWs) bands (ev): -90.3760 -90.3760 -11.7301 -11.7301 4.1527 4.1527 5.1606 5.1606 5.1821 5.1821 15.2116 15.2116 21.5830 21.5830 22.5979 22.5979 22.6022 22.6022 k = 0.2108-0.1217 0.1722 ( 926 PWs) bands (ev): -90.3759 -90.3759 -11.6916 -11.6916 4.0669 4.0669 5.1117 5.1117 5.1330 5.1330 15.2209 15.2209 21.6310 21.6310 22.6765 22.6765 22.6811 22.6811 k = 0.2169-0.1252 0.1771 ( 934 PWs) bands (ev): -90.3759 -90.3759 -11.6524 -11.6524 3.9815 3.9815 5.0627 5.0627 5.0839 5.0839 15.2249 15.2249 21.6805 21.6805 22.7560 22.7560 22.7609 22.7609 k = 0.2229-0.1287 0.1820 ( 934 PWs) bands (ev): -90.3758 -90.3758 -11.6126 -11.6126 3.8964 3.8964 5.0137 5.0137 5.0348 5.0348 15.2235 15.2235 21.7314 21.7314 22.8365 22.8365 22.8416 22.8416 k = 0.2289-0.1322 0.1869 ( 934 PWs) bands (ev): -90.3758 -90.3758 -11.5722 -11.5722 3.8119 3.8119 4.9648 4.9648 4.9857 4.9857 15.2168 15.2168 21.7830 21.7830 22.9177 22.9177 22.9231 22.9231 k = 0.2349-0.1356 0.1918 ( 950 PWs) bands (ev): -90.3757 -90.3757 -11.5313 -11.5313 3.7279 3.7279 4.9160 4.9160 4.9368 4.9368 15.2047 15.2047 21.8349 21.8349 22.9995 22.9995 23.0052 23.0052 k = 0.2410-0.1391 0.1967 ( 950 PWs) bands (ev): -90.3756 -90.3756 -11.4900 -11.4900 3.6446 3.6446 4.8675 4.8675 4.8881 4.8881 15.1873 15.1873 21.8865 21.8865 23.0820 23.0820 23.0880 23.0880 k = 0.2470-0.1426 0.2017 ( 950 PWs) bands (ev): -90.3756 -90.3756 -11.4481 -11.4481 3.5621 3.5621 4.8192 4.8192 4.8398 4.8398 15.1647 15.1647 21.9369 21.9369 23.1650 23.1650 23.1713 23.1713 k = 0.2530-0.1461 0.2066 ( 950 PWs) bands (ev): -90.3755 -90.3755 -11.4060 -11.4060 3.4804 3.4804 4.7713 4.7713 4.7917 4.7917 15.1370 15.1370 21.9852 21.9852 23.2484 23.2484 23.2550 23.2550 k = 0.2590-0.1496 0.2115 ( 950 PWs) bands (ev): -90.3754 -90.3754 -11.3635 -11.3635 3.3995 3.3995 4.7238 4.7238 4.7441 4.7441 15.1045 15.1045 22.0305 22.0305 23.3322 23.3322 23.3390 23.3390 k = 0.2651-0.1530 0.2164 ( 938 PWs) bands (ev): -90.3753 -90.3753 -11.3207 -11.3207 3.3198 3.3198 4.6767 4.6767 4.6969 4.6969 15.0673 15.0673 22.0718 22.0718 23.4161 23.4161 23.4232 23.4232 k = 0.2711-0.1565 0.2213 ( 938 PWs) bands (ev): -90.3753 -90.3753 -11.2777 -11.2777 3.2409 3.2409 4.6302 4.6302 4.6503 4.6503 15.0257 15.0257 22.1075 22.1075 23.5002 23.5002 23.5076 23.5076 k = 0.2771-0.1600 0.2263 ( 934 PWs) bands (ev): -90.3752 -90.3752 -11.2346 -11.2346 3.1631 3.1631 4.5842 4.5842 4.6042 4.6042 14.9799 14.9799 22.1369 22.1369 23.5844 23.5844 23.5921 23.5921 k = 0.2831-0.1635 0.2312 ( 934 PWs) bands (ev): -90.3751 -90.3751 -11.1914 -11.1914 3.0864 3.0864 4.5389 4.5389 4.5588 4.5588 14.9302 14.9302 22.1587 22.1587 23.6684 23.6684 23.6764 23.6764 k = 0.2892-0.1669 0.2361 ( 934 PWs) bands (ev): -90.3751 -90.3751 -11.1481 -11.1481 3.0110 3.0110 4.4942 4.4942 4.5140 4.5140 14.8769 14.8769 22.1724 22.1724 23.7522 23.7522 23.7606 23.7606 k = 0.2952-0.1704 0.2410 ( 938 PWs) bands (ev): -90.3750 -90.3750 -11.1049 -11.1049 2.9366 2.9366 4.4503 4.4503 4.4700 4.4700 14.8204 14.8204 22.1776 22.1776 23.8356 23.8356 23.8445 23.8445 k = 0.3012-0.1739 0.2459 ( 938 PWs) bands (ev): -90.3749 -90.3749 -11.0618 -11.0618 2.8637 2.8637 4.4071 4.4071 4.4267 4.4267 14.7610 14.7610 22.1746 22.1746 23.9171 23.9171 23.9281 23.9281 k = 0.3072-0.1774 0.2509 ( 938 PWs) bands (ev): -90.3749 -90.3749 -11.0189 -11.0189 2.7921 2.7921 4.3648 4.3648 4.3843 4.3843 14.6991 14.6991 22.1639 22.1639 23.9510 23.9510 24.0034 24.0034 k = 0.3133-0.1809 0.2558 ( 938 PWs) bands (ev): -90.3748 -90.3748 -10.9762 -10.9762 2.7220 2.7220 4.3234 4.3234 4.3428 4.3428 14.6349 14.6349 22.1466 22.1466 23.9743 23.9743 24.0850 24.0850 k = 0.3193-0.1843 0.2607 ( 938 PWs) bands (ev): -90.3748 -90.3748 -10.9338 -10.9338 2.6533 2.6533 4.2828 4.2828 4.3021 4.3021 14.5689 14.5689 22.1238 22.1238 24.0081 24.0081 24.1663 24.1663 k = 0.3253-0.1878 0.2656 ( 942 PWs) bands (ev): -90.3747 -90.3747 -10.8918 -10.8918 2.5862 2.5862 4.2432 4.2432 4.2624 4.2624 14.5014 14.5014 22.0967 22.0967 24.0510 24.0510 24.2469 24.2469 k = 0.3313-0.1913 0.2705 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.8503 -10.8503 2.5207 2.5207 4.2047 4.2047 4.2238 4.2238 14.4328 14.4328 22.0666 22.0666 24.1014 24.1014 24.3266 24.3266 k = 0.3373-0.1948 0.2754 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.8092 -10.8092 2.4568 2.4568 4.1671 4.1671 4.1861 4.1861 14.3633 14.3633 22.0345 22.0345 24.1578 24.1578 24.4051 24.4051 k = 0.3434-0.1982 0.2804 ( 934 PWs) bands (ev): -90.3745 -90.3745 -10.7688 -10.7688 2.3946 2.3946 4.1306 4.1306 4.1496 4.1496 14.2935 14.2935 22.0012 22.0012 24.2189 24.2189 24.4826 24.4826 k = 0.3494-0.2017 0.2853 ( 934 PWs) bands (ev): -90.3745 -90.3745 -10.7291 -10.7291 2.3341 2.3341 4.0952 4.0952 4.1141 4.1141 14.2235 14.2235 21.9675 21.9675 24.2835 24.2835 24.5586 24.5586 k = 0.3554-0.2052 0.2902 ( 934 PWs) bands (ev): -90.3744 -90.3744 -10.6901 -10.6901 2.2755 2.2755 4.0609 4.0609 4.0798 4.0798 14.1537 14.1537 21.9340 21.9340 24.3506 24.3506 24.6332 24.6332 k = 0.3614-0.2087 0.2951 ( 934 PWs) bands (ev): -90.3744 -90.3744 -10.6519 -10.6519 2.2187 2.2187 4.0279 4.0279 4.0466 4.0466 14.0845 14.0845 21.9011 21.9011 24.4193 24.4193 24.7063 24.7063 k = 0.3675-0.2122 0.3000 ( 934 PWs) bands (ev): -90.3743 -90.3743 -10.6146 -10.6146 2.1638 2.1638 3.9960 3.9960 4.0147 4.0147 14.0161 14.0161 21.8691 21.8691 24.4889 24.4889 24.7776 24.7776 k = 0.3735-0.2156 0.3050 ( 942 PWs) bands (ev): -90.3743 -90.3743 -10.5784 -10.5784 2.1108 2.1108 3.9653 3.9653 3.9839 3.9839 13.9488 13.9488 21.8382 21.8382 24.5586 24.5586 24.8470 24.8470 k = 0.3795-0.2191 0.3099 ( 942 PWs) bands (ev): -90.3742 -90.3742 -10.5431 -10.5431 2.0599 2.0599 3.9359 3.9359 3.9544 3.9544 13.8828 13.8828 21.8087 21.8087 24.6281 24.6281 24.9144 24.9144 k = 0.3855-0.2226 0.3148 ( 938 PWs) bands (ev): -90.3742 -90.3742 -10.5090 -10.5090 2.0111 2.0111 3.9077 3.9077 3.9263 3.9263 13.8186 13.8186 21.7807 21.7807 24.6967 24.6967 24.9797 24.9797 k = 0.3916-0.2261 0.3197 ( 938 PWs) bands (ev): -90.3741 -90.3741 -10.4761 -10.4761 1.9645 1.9645 3.8809 3.8809 3.8994 3.8994 13.7562 13.7562 21.7542 21.7542 24.7640 24.7640 25.0427 25.0427 k = 0.3976-0.2295 0.3246 ( 942 PWs) bands (ev): -90.3741 -90.3741 -10.4445 -10.4445 1.9199 1.9199 3.8554 3.8554 3.8738 3.8738 13.6959 13.6959 21.7292 21.7292 24.8297 24.8297 25.1033 25.1033 k = 0.4036-0.2330 0.3295 ( 942 PWs) bands (ev): -90.3740 -90.3740 -10.4143 -10.4143 1.8776 1.8776 3.8312 3.8312 3.8496 3.8496 13.6380 13.6380 21.7059 21.7059 24.8933 24.8933 25.1613 25.1613 k = 0.4096-0.2365 0.3345 ( 942 PWs) bands (ev): -90.3740 -90.3740 -10.3855 -10.3855 1.8376 1.8376 3.8085 3.8085 3.8268 3.8268 13.5826 13.5826 21.6842 21.6842 24.9545 24.9545 25.2167 25.2167 k = 0.4157-0.2400 0.3394 ( 950 PWs) bands (ev): -90.3740 -90.3740 -10.3582 -10.3582 1.7999 1.7999 3.7870 3.7870 3.8053 3.8053 13.5299 13.5299 21.6640 21.6640 25.0130 25.0130 25.2691 25.2691 k = 0.4217-0.2435 0.3443 ( 950 PWs) bands (ev): -90.3739 -90.3739 -10.3324 -10.3324 1.7646 1.7646 3.7670 3.7670 3.7853 3.7853 13.4801 13.4801 21.6455 21.6455 25.0687 25.0687 25.3187 25.3187 k = 0.4277-0.2469 0.3492 ( 950 PWs) bands (ev): -90.3739 -90.3739 -10.3083 -10.3083 1.7317 1.7317 3.7484 3.7484 3.7666 3.7666 13.4334 13.4334 21.6285 21.6285 25.1211 25.1211 25.3651 25.3651 k = 0.4337-0.2504 0.3541 ( 950 PWs) bands (ev): -90.3739 -90.3739 -10.2858 -10.2858 1.7012 1.7012 3.7313 3.7313 3.7494 3.7494 13.3899 13.3899 21.6130 21.6130 25.1702 25.1702 25.4084 25.4084 k = 0.4398-0.2539 0.3591 ( 950 PWs) bands (ev): -90.3739 -90.3739 -10.2651 -10.2651 1.6733 1.6733 3.7156 3.7156 3.7337 3.7337 13.3497 13.3497 21.5990 21.5990 25.2157 25.2157 25.4483 25.4483 k = 0.4458-0.2574 0.3640 ( 950 PWs) bands (ev): -90.3738 -90.3738 -10.2462 -10.2462 1.6479 1.6479 3.7013 3.7013 3.7194 3.7194 13.3130 13.3130 21.5864 21.5864 25.2574 25.2574 25.4848 25.4848 k = 0.4518-0.2609 0.3689 ( 942 PWs) bands (ev): -90.3738 -90.3738 -10.2292 -10.2292 1.6251 1.6251 3.6886 3.6886 3.7067 3.7067 13.2799 13.2799 21.5753 21.5753 25.2952 25.2952 25.5178 25.5178 k = 0.4578-0.2643 0.3738 ( 942 PWs) bands (ev): -90.3738 -90.3738 -10.2140 -10.2140 1.6049 1.6049 3.6773 3.6773 3.6953 3.6953 13.2504 13.2504 21.5656 21.5656 25.3288 25.3288 25.5471 25.5471 k = 0.4639-0.2678 0.3787 ( 942 PWs) bands (ev): -90.3738 -90.3738 -10.2008 -10.2008 1.5873 1.5873 3.6675 3.6675 3.6855 3.6855 13.2248 13.2248 21.5572 21.5572 25.3582 25.3582 25.5726 25.5726 k = 0.4699-0.2713 0.3837 ( 942 PWs) bands (ev): -90.3738 -90.3738 -10.1895 -10.1895 1.5724 1.5724 3.6592 3.6592 3.6772 3.6772 13.2029 13.2029 21.5501 21.5501 25.3833 25.3833 25.5944 25.5944 k = 0.4759-0.2748 0.3886 ( 942 PWs) bands (ev): -90.3737 -90.3737 -10.1803 -10.1803 1.5602 1.5602 3.6524 3.6524 3.6704 3.6704 13.1849 13.1849 21.5444 21.5444 25.4040 25.4040 25.6123 25.6123 k = 0.4819-0.2782 0.3935 ( 942 PWs) bands (ev): -90.3737 -90.3737 -10.1730 -10.1730 1.5506 1.5506 3.6471 3.6471 3.6651 3.6651 13.1709 13.1709 21.5400 21.5400 25.4201 25.4201 25.6263 25.6263 k = 0.4880-0.2817 0.3984 ( 934 PWs) bands (ev): -90.3737 -90.3737 -10.1679 -10.1679 1.5439 1.5439 3.6433 3.6433 3.6613 3.6613 13.1608 13.1608 21.5368 21.5368 25.4318 25.4318 25.6364 25.6364 k = 0.4940-0.2852 0.4033 ( 934 PWs) bands (ev): -90.3737 -90.3737 -10.1648 -10.1648 1.5398 1.5398 3.6410 3.6410 3.6590 3.6590 13.1548 13.1548 21.5349 21.5349 25.4387 25.4387 25.6424 25.6424 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -90.3737 -90.3737 -10.1637 -10.1637 1.5384 1.5384 3.6403 3.6403 3.6583 3.6583 13.1528 13.1528 21.5343 21.5343 25.4411 25.4411 25.6444 25.6444 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -90.3737 -90.3737 -10.1637 -10.1637 1.5384 1.5384 3.6403 3.6403 3.6583 3.6583 13.1528 13.1528 21.5343 21.5343 25.4411 25.4411 25.6444 25.6444 k = 0.5000-0.2818 0.4131 ( 934 PWs) bands (ev): -90.3737 -90.3737 -10.1636 -10.1636 1.5388 1.5390 3.6391 3.6394 3.6572 3.6572 13.1564 13.1564 21.5360 21.5362 25.4392 25.4406 25.6417 25.6429 k = 0.5000-0.2749 0.4180 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1634 -10.1634 1.5401 1.5406 3.6357 3.6362 3.6541 3.6541 13.1674 13.1674 21.5414 21.5417 25.4351 25.4378 25.6313 25.6324 k = 0.5000-0.2681 0.4228 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1629 -10.1629 1.5424 1.5431 3.6301 3.6308 3.6490 3.6491 13.1857 13.1857 21.5504 21.5508 25.4290 25.4328 25.6108 25.6116 k = 0.5000-0.2612 0.4277 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1623 -10.1623 1.5457 1.5466 3.6221 3.6229 3.6422 3.6425 13.2112 13.2112 21.5629 21.5635 25.4210 25.4257 25.5811 25.5818 k = 0.5000-0.2543 0.4325 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1615 -10.1614 1.5500 1.5511 3.6115 3.6124 3.6340 3.6345 13.2438 13.2438 21.5790 21.5798 25.4113 25.4166 25.5428 25.5435 k = 0.5000-0.2474 0.4374 ( 946 PWs) bands (ev): -90.3737 -90.3737 -10.1605 -10.1605 1.5552 1.5565 3.5984 3.5992 3.6243 3.6252 13.2833 13.2834 21.5986 21.5995 25.3999 25.4056 25.4961 25.4970 k = 0.5000-0.2406 0.4423 ( 946 PWs) bands (ev): -90.3737 -90.3737 -10.1593 -10.1593 1.5614 1.5629 3.5828 3.5836 3.6134 3.6146 13.3298 13.3298 21.6216 21.6226 25.3865 25.3926 25.4419 25.4430 k = 0.5000-0.2337 0.4471 ( 950 PWs) bands (ev): -90.3737 -90.3737 -10.1580 -10.1580 1.5684 1.5703 3.5649 3.5656 3.6012 3.6028 13.3829 13.3829 21.6479 21.6491 25.3660 25.3704 25.3869 25.3875 k = 0.5000-0.2268 0.4520 ( 950 PWs) bands (ev): -90.3737 -90.3737 -10.1566 -10.1565 1.5765 1.5785 3.5449 3.5454 3.5878 3.5897 13.4424 13.4425 21.6774 21.6787 25.3059 25.3060 25.3616 25.3663 k = 0.5000-0.2199 0.4568 ( 950 PWs) bands (ev): -90.3737 -90.3737 -10.1549 -10.1549 1.5854 1.5877 3.5229 3.5234 3.5730 3.5754 13.5082 13.5083 21.7101 21.7116 25.2289 25.2292 25.3443 25.3492 k = 0.5000-0.2131 0.4617 ( 950 PWs) bands (ev): -90.3737 -90.3737 -10.1532 -10.1532 1.5953 1.5978 3.4991 3.4995 3.5571 3.5597 13.5801 13.5801 21.7458 21.7474 25.1443 25.1449 25.3265 25.3312 k = 0.5000-0.2062 0.4666 ( 950 PWs) bands (ev): -90.3737 -90.3737 -10.1513 -10.1513 1.6060 1.6088 3.4738 3.4742 3.5399 3.5429 13.6577 13.6578 21.7843 21.7862 25.0530 25.0536 25.3077 25.3121 k = 0.5000-0.1993 0.4714 ( 948 PWs) bands (ev): -90.3737 -90.3737 -10.1493 -10.1493 1.6176 1.6207 3.4471 3.4474 3.5215 3.5249 13.7408 13.7409 21.8256 21.8277 24.9553 24.9560 25.2879 25.2918 k = 0.5000-0.1925 0.4763 ( 948 PWs) bands (ev): -90.3737 -90.3737 -10.1472 -10.1472 1.6300 1.6334 3.4192 3.4195 3.5020 3.5058 13.8292 13.8292 21.8696 21.8718 24.8515 24.8523 25.2670 25.2704 k = 0.5000-0.1856 0.4811 ( 948 PWs) bands (ev): -90.3737 -90.3737 -10.1450 -10.1450 1.6432 1.6469 3.3903 3.3906 3.4815 3.4855 13.9224 13.9225 21.9159 21.9184 24.7422 24.7430 25.2450 25.2478 k = 0.5000-0.1787 0.4860 ( 948 PWs) bands (ev): -90.3737 -90.3737 -10.1428 -10.1427 1.6572 1.6612 3.3606 3.3609 3.4599 3.4643 14.0203 14.0203 21.9646 21.9672 24.6277 24.6286 25.2219 25.2242 k = 0.5000-0.1718 0.4909 ( 944 PWs) bands (ev): -90.3737 -90.3737 -10.1404 -10.1404 1.6720 1.6762 3.3304 3.3307 3.4374 3.4422 14.1224 14.1224 22.0153 22.0182 24.5085 24.5094 25.1978 25.1995 k = 0.5000-0.1650 0.4957 ( 944 PWs) bands (ev): -90.3737 -90.3737 -10.1380 -10.1380 1.6875 1.6920 3.2997 3.3000 3.4140 3.4192 14.2284 14.2284 22.0679 22.0710 24.3849 24.3859 25.1727 25.1737 k = 0.5000-0.1581 0.5006 ( 952 PWs) bands (ev): -90.3737 -90.3737 -10.1356 -10.1356 1.7036 1.7085 3.2688 3.2690 3.3897 3.3953 14.3379 14.3380 22.1221 22.1256 24.2576 24.2585 25.1466 25.1469 k = 0.5000-0.1512 0.5055 ( 946 PWs) bands (ev): -90.3737 -90.3737 -10.1331 -10.1331 1.7204 1.7256 3.2379 3.2381 3.3648 3.3708 14.4507 14.4507 22.1779 22.1816 24.1269 24.1279 25.1192 25.1195 k = 0.5000-0.1443 0.5103 ( 946 PWs) bands (ev): -90.3737 -90.3737 -10.1306 -10.1306 1.7378 1.7434 3.2070 3.2073 3.3393 3.3457 14.5661 14.5662 22.2349 22.2389 23.9934 23.9945 25.0905 25.0916 k = 0.5000-0.1375 0.5152 ( 946 PWs) bands (ev): -90.3737 -90.3737 -10.1281 -10.1281 1.7557 1.7617 3.1765 3.1767 3.3133 3.3201 14.6839 14.6840 22.2929 22.2972 23.8576 23.8587 25.0610 25.0628 k = 0.5000-0.1306 0.5200 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1256 -10.1256 1.7741 1.7805 3.1464 3.1467 3.2869 3.2941 14.8036 14.8036 22.3517 22.3564 23.7202 23.7213 25.0308 25.0334 k = 0.5000-0.1237 0.5249 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1232 -10.1231 1.7929 1.7997 3.1169 3.1172 3.2601 3.2678 14.9246 14.9246 22.4110 22.4160 23.5815 23.5827 24.9999 25.0031 k = 0.5000-0.1168 0.5298 ( 942 PWs) bands (ev): -90.3737 -90.3737 -10.1207 -10.1207 1.8119 1.8192 3.0882 3.0884 3.2332 3.2413 15.0464 15.0464 22.4705 22.4759 23.4424 23.4436 24.9683 24.9723 k = 0.5000-0.1100 0.5346 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1184 -10.1183 1.8313 1.8390 3.0603 3.0606 3.2062 3.2147 15.1685 15.1685 22.5300 22.5358 23.3035 23.3047 24.9363 24.9411 k = 0.5000-0.1031 0.5395 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1161 -10.1160 1.8508 1.8590 3.0335 3.0338 3.1792 3.1882 15.2903 15.2903 22.5891 22.5954 23.1654 23.1667 24.9038 24.9095 k = 0.5000-0.0962 0.5443 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1138 -10.1138 1.8704 1.8790 3.0078 3.0082 3.1524 3.1620 15.4110 15.4111 22.6476 22.6543 23.0290 23.0303 24.8712 24.8776 k = 0.5000-0.0894 0.5492 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1117 -10.1117 1.8898 1.8990 2.9834 2.9838 3.1260 3.1361 15.5300 15.5301 22.7050 22.7123 22.8950 22.8964 24.8385 24.8457 k = 0.5000-0.0825 0.5541 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1097 -10.1096 1.9090 1.9188 2.9604 2.9608 3.1002 3.1107 15.6464 15.6465 22.7584 22.7639 22.7684 22.7693 24.8059 24.8140 k = 0.5000-0.0756 0.5589 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1078 -10.1077 1.9279 1.9382 2.9389 2.9394 3.0750 3.0861 15.7595 15.7596 22.6378 22.6391 22.8156 22.8238 24.7737 24.7827 k = 0.5000-0.0687 0.5638 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1060 -10.1059 1.9462 1.9571 2.9189 2.9194 3.0508 3.0624 15.8682 15.8683 22.5167 22.5180 22.8677 22.8766 24.7422 24.7521 k = 0.5000-0.0619 0.5686 ( 940 PWs) bands (ev): -90.3737 -90.3737 -10.1043 -10.1043 1.9638 1.9753 2.9005 2.9011 3.0277 3.0399 15.9716 15.9717 22.4018 22.4032 22.9172 22.9268 24.7117 24.7225 k = 0.5000-0.0550 0.5735 ( 940 PWs) bands (ev): -90.3737 -90.3737 -10.1028 -10.1028 1.9805 1.9926 2.8839 2.8846 3.0060 3.0188 16.0685 16.0687 22.2944 22.2959 22.9637 22.9739 24.6825 24.6941 k = 0.5000-0.0481 0.5784 ( 940 PWs) bands (ev): -90.3737 -90.3737 -10.1015 -10.1014 1.9960 2.0087 2.8690 2.8698 2.9859 2.9992 16.1580 16.1582 22.1957 22.1972 23.0066 23.0174 24.6551 24.6676 k = 0.5000-0.0412 0.5832 ( 940 PWs) bands (ev): -90.3737 -90.3737 -10.1003 -10.1003 2.0101 2.0234 2.8560 2.8568 2.9678 2.9816 16.2387 16.2389 22.1068 22.1083 23.0453 23.0569 24.6299 24.6431 k = 0.5000-0.0344 0.5881 ( 940 PWs) bands (ev): -90.3737 -90.3737 -10.0993 -10.0992 2.0226 2.0365 2.8449 2.8458 2.9518 2.9661 16.3095 16.3097 22.0289 22.0305 23.0794 23.0915 24.6073 24.6214 k = 0.5000-0.0275 0.5929 ( 936 PWs) bands (ev): -90.3737 -90.3737 -10.0985 -10.0984 2.0333 2.0476 2.8358 2.8368 2.9383 2.9530 16.3693 16.3696 21.9634 21.9649 23.1082 23.1210 24.5880 24.6027 k = 0.5000-0.0206 0.5978 ( 936 PWs) bands (ev): -90.3737 -90.3737 -10.0978 -10.0978 2.0418 2.0566 2.8286 2.8297 2.9275 2.9425 16.4171 16.4174 21.9111 21.9126 23.1313 23.1445 24.5723 24.5876 k = 0.5000-0.0137 0.6027 ( 932 PWs) bands (ev): -90.3737 -90.3737 -10.0973 -10.0973 2.0481 2.0631 2.8235 2.8246 2.9196 2.9348 16.4519 16.4522 21.8730 21.8746 23.1482 23.1618 24.5607 24.5765 k = 0.5000-0.0069 0.6075 ( 932 PWs) bands (ev): -90.3737 -90.3737 -10.0970 -10.0970 2.0519 2.0671 2.8204 2.8216 2.9148 2.9302 16.4731 16.4734 21.8498 21.8514 23.1585 23.1723 24.5536 24.5696 k = 0.5000-0.0000 0.6124 ( 932 PWs) bands (ev): -90.3737 -90.3737 -10.0969 -10.0969 2.0532 2.0685 2.8193 2.8206 2.9132 2.9286 16.4803 16.4805 21.8421 21.8437 23.1619 23.1758 24.5513 24.5673 k = 0.5000-0.0000 0.6124 ( 932 PWs) bands (ev): -90.3737 -90.3737 -10.0969 -10.0969 2.0532 2.0685 2.8193 2.8206 2.9132 2.9286 16.4803 16.4805 21.8421 21.8437 23.1619 23.1758 24.5513 24.5673 k = 0.4958 0.0072 0.6124 ( 932 PWs) bands (ev): -90.3737 -90.3737 -10.0972 -10.0972 2.0510 2.0662 2.8094 2.8169 2.9237 2.9392 16.4774 16.4777 21.8418 21.8434 23.1643 23.1781 24.5521 24.5682 k = 0.4917 0.0144 0.6124 ( 932 PWs) bands (ev): -90.3737 -90.3737 -10.0979 -10.0979 2.0446 2.0598 2.7903 2.8017 2.9521 2.9669 16.4689 16.4692 21.8411 21.8428 23.1716 23.1852 24.5547 24.5706 k = 0.4875 0.0217 0.6124 ( 935 PWs) bands (ev): -90.3737 -90.3737 -10.0991 -10.0991 2.0348 2.0498 2.7678 2.7810 2.9914 3.0052 16.4547 16.4550 21.8400 21.8418 23.1839 23.1973 24.5589 24.5746 k = 0.4833 0.0289 0.6124 ( 937 PWs) bands (ev): -90.3737 -90.3737 -10.1007 -10.1007 2.0221 2.0370 2.7443 2.7584 3.0377 3.0503 16.4350 16.4353 21.8387 21.8407 23.2014 23.2145 24.5645 24.5799 k = 0.4792 0.0361 0.6124 ( 939 PWs) bands (ev): -90.3737 -90.3737 -10.1026 -10.1026 2.0072 2.0220 2.7210 2.7356 3.0887 3.1002 16.4099 16.4103 21.8374 21.8396 23.2241 23.2369 24.5714 24.5865 k = 0.4750 0.0433 0.6124 ( 939 PWs) bands (ev): -90.3737 -90.3737 -10.1049 -10.1048 1.9906 2.0053 2.6981 2.7130 3.1433 3.1538 16.3798 16.3801 21.8361 21.8385 23.2520 23.2643 24.5795 24.5943 k = 0.4708 0.0505 0.6124 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1074 -10.1073 1.9727 1.9874 2.6760 2.6911 3.2005 3.2101 16.3449 16.3452 21.8349 21.8377 23.2850 23.2968 24.5887 24.6030 k = 0.4667 0.0577 0.6124 ( 934 PWs) bands (ev): -90.3737 -90.3737 -10.1101 -10.1101 1.9541 1.9688 2.6547 2.6700 3.2596 3.2684 16.3056 16.3059 21.8339 21.8370 23.3229 23.3342 24.5988 24.6127 k = 0.4625 0.0650 0.6124 ( 934 PWs) bands (ev): -90.3737 -90.3737 -10.1130 -10.1130 1.9350 1.9496 2.6342 2.6497 3.3200 3.3280 16.2625 16.2628 21.8331 21.8366 23.3654 23.3762 24.6097 24.6231 k = 0.4583 0.0722 0.6124 ( 928 PWs) bands (ev): -90.3737 -90.3737 -10.1161 -10.1160 1.9158 1.9303 2.6147 2.6303 3.3811 3.3885 16.2159 16.2162 21.8326 21.8365 23.4124 23.4227 24.6212 24.6341 k = 0.4542 0.0794 0.6124 ( 928 PWs) bands (ev): -90.3737 -90.3737 -10.1193 -10.1192 1.8965 1.9110 2.5962 2.6117 3.4424 3.4491 16.1665 16.1668 21.8324 21.8367 23.4635 23.4733 24.6332 24.6455 k = 0.4500 0.0866 0.6124 ( 928 PWs) bands (ev): -90.3737 -90.3737 -10.1225 -10.1225 1.8775 1.8920 2.5785 2.5942 3.5034 3.5097 16.1149 16.1151 21.8324 21.8371 23.5184 23.5277 24.6455 24.6573 k = 0.4458 0.0938 0.6124 ( 930 PWs) bands (ev): -90.3738 -90.3738 -10.1258 -10.1257 1.8589 1.8733 2.5619 2.5775 3.5639 3.5696 16.0615 16.0617 21.8326 21.8376 23.5768 23.5856 24.6580 24.6692 k = 0.4417 0.1010 0.6124 ( 930 PWs) bands (ev): -90.3738 -90.3738 -10.1291 -10.1290 1.8409 1.8552 2.5462 2.5619 3.6233 3.6285 16.0071 16.0073 21.8331 21.8384 23.6383 23.6465 24.6706 24.6813 k = 0.4375 0.1083 0.6124 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1323 -10.1323 1.8235 1.8378 2.5314 2.5471 3.6813 3.6860 15.9523 15.9524 21.8336 21.8393 23.7024 23.7101 24.6831 24.6932 k = 0.4333 0.1155 0.6124 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1355 -10.1355 1.8069 1.8211 2.5177 2.5334 3.7375 3.7419 15.8975 15.8977 21.8343 21.8403 23.7687 23.7759 24.6955 24.7049 k = 0.4292 0.1227 0.6124 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1386 -10.1385 1.7911 1.8053 2.5049 2.5205 3.7917 3.7956 15.8436 15.8437 21.8351 21.8413 23.8368 23.8434 24.7075 24.7164 k = 0.4250 0.1299 0.6124 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1416 -10.1415 1.7763 1.7904 2.4930 2.5087 3.8433 3.8470 15.7910 15.7911 21.8359 21.8424 23.9060 23.9121 24.7190 24.7273 k = 0.4208 0.1371 0.6124 ( 938 PWs) bands (ev): -90.3738 -90.3738 -10.1444 -10.1444 1.7624 1.7765 2.4821 2.4978 3.8922 3.8955 15.7403 15.7404 21.8367 21.8434 23.9758 23.9814 24.7299 24.7377 k = 0.4167 0.1443 0.6124 ( 938 PWs) bands (ev): -90.3738 -90.3738 -10.1471 -10.1470 1.7496 1.7637 2.4722 2.4878 3.9381 3.9410 15.6920 15.6921 21.8376 21.8445 24.0456 24.0506 24.7401 24.7475 k = 0.4125 0.1516 0.6124 ( 938 PWs) bands (ev): -90.3738 -90.3738 -10.1496 -10.1495 1.7378 1.7519 2.4632 2.4789 3.9806 3.9832 15.6467 15.6468 21.8383 21.8454 24.1145 24.1189 24.7496 24.7565 k = 0.4083 0.1588 0.6124 ( 942 PWs) bands (ev): -90.3738 -90.3738 -10.1518 -10.1518 1.7272 1.7413 2.4552 2.4708 4.0193 4.0216 15.6048 15.6049 21.8391 21.8463 24.1819 24.1857 24.7580 24.7645 k = 0.4042 0.1660 0.6124 ( 942 PWs) bands (ev): -90.3738 -90.3738 -10.1539 -10.1538 1.7178 1.7319 2.4481 2.4637 4.0543 4.0562 15.5668 15.5668 21.8398 21.8471 24.2468 24.2499 24.7654 24.7716 k = 0.4000 0.1732 0.6124 ( 944 PWs) bands (ev): -90.3738 -90.3738 -10.1557 -10.1556 1.7096 1.7236 2.4420 2.4576 4.0850 4.0867 15.5330 15.5330 21.8404 21.8478 24.3081 24.3105 24.7715 24.7776 k = 0.3958 0.1804 0.6124 ( 940 PWs) bands (ev): -90.3738 -90.3738 -10.1572 -10.1572 1.7026 1.7166 2.4368 2.4524 4.1115 4.1129 15.5038 15.5038 21.8409 21.8485 24.3644 24.3662 24.7766 24.7825 k = 0.3917 0.1876 0.6124 ( 940 PWs) bands (ev): -90.3738 -90.3738 -10.1585 -10.1585 1.6968 1.7108 2.4326 2.4482 4.1334 4.1345 15.4795 15.4795 21.8414 21.8490 24.4142 24.4154 24.7803 24.7861 k = 0.3875 0.1949 0.6124 ( 942 PWs) bands (ev): -90.3738 -90.3738 -10.1595 -10.1595 1.6923 1.7063 2.4293 2.4449 4.1506 4.1515 15.4603 15.4604 21.8417 21.8494 24.4559 24.4566 24.7827 24.7885 k = 0.3833 0.2021 0.6124 ( 938 PWs) bands (ev): -90.3738 -90.3738 -10.1602 -10.1602 1.6891 1.7031 2.4269 2.4425 4.1631 4.1636 15.4465 15.4465 21.8420 21.8497 24.4876 24.4879 24.7842 24.7899 k = 0.3792 0.2093 0.6124 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1607 -10.1606 1.6872 1.7012 2.4255 2.4411 4.1707 4.1709 15.4381 15.4382 21.8421 21.8499 24.5075 24.5077 24.7849 24.7905 k = 0.3750 0.2165 0.6124 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1608 -10.1608 1.6866 1.7005 2.4251 2.4406 4.1733 4.1733 15.4353 15.4354 21.8422 21.8499 24.5143 24.5144 24.7851 24.7906 k = 0.3750 0.2165 0.6124 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1608 -10.1608 1.6866 1.7005 2.4251 2.4406 4.1733 4.1733 15.4353 15.4354 21.8422 21.8499 24.5143 24.5144 24.7851 24.7906 k = 0.3707 0.2140 0.6054 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1660 -10.1659 1.6626 1.6763 2.4215 2.4369 4.2067 4.2068 15.5500 15.5500 21.7783 21.7863 24.4497 24.4499 24.7493 24.7555 k = 0.3665 0.2116 0.5985 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1719 -10.1719 1.6348 1.6481 2.4253 2.4403 4.2410 4.2410 15.6648 15.6649 21.7074 21.7155 24.3846 24.3848 24.7117 24.7184 k = 0.3622 0.2091 0.5915 ( 941 PWs) bands (ev): -90.3738 -90.3738 -10.1788 -10.1787 1.6041 1.6169 2.4355 2.4499 4.2759 4.2759 15.7797 15.7798 21.6301 21.6382 24.3191 24.3193 24.6725 24.6796 k = 0.3580 0.2067 0.5845 ( 941 PWs) bands (ev): -90.3738 -90.3738 -10.1865 -10.1865 1.5717 1.5838 2.4514 2.4651 4.3114 4.3115 15.8947 15.8947 21.5470 21.5552 24.2534 24.2535 24.6319 24.6393 k = 0.3537 0.2042 0.5776 ( 941 PWs) bands (ev): -90.3739 -90.3739 -10.1952 -10.1952 1.5382 1.5497 2.4719 2.4851 4.3476 4.3477 16.0095 16.0095 21.4589 21.4671 24.1874 24.1876 24.5899 24.5976 k = 0.3494 0.2017 0.5706 ( 941 PWs) bands (ev): -90.3739 -90.3739 -10.2050 -10.2049 1.5047 1.5155 2.4966 2.5091 4.3844 4.3845 16.1241 16.1242 21.3663 21.3746 24.1215 24.1216 24.5468 24.5547 k = 0.3452 0.1993 0.5637 ( 945 PWs) bands (ev): -90.3739 -90.3739 -10.2157 -10.2157 1.4718 1.4819 2.5247 2.5366 4.4217 4.4218 16.2385 16.2386 21.2700 21.2782 24.0555 24.0556 24.5025 24.5105 k = 0.3409 0.1968 0.5567 ( 941 PWs) bands (ev): -90.3739 -90.3739 -10.2275 -10.2275 1.4401 1.4496 2.5558 2.5671 4.4596 4.4596 16.3526 16.3528 21.1704 21.1785 23.9897 23.9898 24.4572 24.4654 k = 0.3366 0.1944 0.5497 ( 935 PWs) bands (ev): -90.3739 -90.3739 -10.2405 -10.2404 1.4101 1.4191 2.5895 2.6003 4.4978 4.4979 16.4663 16.4665 21.0681 21.0762 23.9241 23.9242 24.4109 24.4192 k = 0.3324 0.1919 0.5428 ( 935 PWs) bands (ev): -90.3739 -90.3739 -10.2545 -10.2545 1.3821 1.3907 2.6254 2.6358 4.5365 4.5365 16.5795 16.5798 20.9637 20.9716 23.8589 23.8590 24.3637 24.3720 k = 0.3281 0.1894 0.5358 ( 945 PWs) bands (ev): -90.3740 -90.3740 -10.2698 -10.2697 1.3565 1.3647 2.6634 2.6733 4.5755 4.5755 16.6921 16.6925 20.8575 20.8652 23.7941 23.7942 24.3156 24.3240 k = 0.3239 0.1870 0.5289 ( 945 PWs) bands (ev): -90.3740 -90.3740 -10.2862 -10.2861 1.3337 1.3415 2.7032 2.7127 4.6148 4.6149 16.8040 16.8044 20.7500 20.7577 23.7298 23.7298 24.2668 24.2751 k = 0.3196 0.1845 0.5219 ( 945 PWs) bands (ev): -90.3740 -90.3740 -10.3038 -10.3038 1.3139 1.3213 2.7447 2.7538 4.6544 4.6545 16.9150 16.9156 20.6418 20.6493 23.6660 23.6661 24.2172 24.2256 k = 0.3153 0.1821 0.5149 ( 945 PWs) bands (ev): -90.3740 -90.3740 -10.3226 -10.3226 1.2972 1.3042 2.7877 2.7965 4.6943 4.6943 17.0250 17.0257 20.5333 20.5406 23.6030 23.6031 24.1669 24.1753 k = 0.3111 0.1796 0.5080 ( 945 PWs) bands (ev): -90.3741 -90.3741 -10.3427 -10.3426 1.2839 1.2906 2.8321 2.8406 4.7343 4.7343 17.1338 17.1346 20.4249 20.4320 23.5407 23.5407 24.1159 24.1243 k = 0.3068 0.1771 0.5010 ( 945 PWs) bands (ev): -90.3741 -90.3741 -10.3639 -10.3639 1.2740 1.2804 2.8778 2.8861 4.7744 4.7744 17.2410 17.2420 20.3173 20.3240 23.4791 23.4792 24.0644 24.0727 k = 0.3026 0.1747 0.4941 ( 945 PWs) bands (ev): -90.3741 -90.3741 -10.3864 -10.3864 1.2677 1.2738 2.9248 2.9328 4.8146 4.8146 17.3463 17.3475 20.2109 20.2174 23.4184 23.4185 24.0122 24.0206 k = 0.2983 0.1722 0.4871 ( 937 PWs) bands (ev): -90.3742 -90.3742 -10.4101 -10.4101 1.2651 1.2710 2.9730 2.9807 4.8549 4.8549 17.4492 17.4506 20.1064 20.1126 23.3587 23.3587 23.9596 23.9680 k = 0.2940 0.1698 0.4802 ( 937 PWs) bands (ev): -90.3742 -90.3742 -10.4350 -10.4350 1.2662 1.2719 3.0222 3.0298 4.8951 4.8952 17.5490 17.5506 20.0047 20.0106 23.2998 23.2999 23.9065 23.9148 k = 0.2898 0.1673 0.4732 ( 937 PWs) bands (ev): -90.3742 -90.3742 -10.4611 -10.4611 1.2710 1.2765 3.0725 3.0798 4.9353 4.9353 17.6449 17.6469 19.9068 19.9123 23.2420 23.2420 23.8528 23.8611 k = 0.2855 0.1648 0.4662 ( 927 PWs) bands (ev): -90.3743 -90.3743 -10.4884 -10.4883 1.2798 1.2851 3.1238 3.1310 4.9754 4.9754 17.7358 17.7381 19.8139 19.8189 23.1852 23.1852 23.7989 23.8071 k = 0.2812 0.1624 0.4593 ( 935 PWs) bands (ev): -90.3743 -90.3743 -10.5168 -10.5167 1.2923 1.2975 3.1760 3.1829 5.0152 5.0153 17.8202 17.8229 19.7275 19.7320 23.1294 23.1294 23.7445 23.7526 k = 0.2770 0.1599 0.4523 ( 935 PWs) bands (ev): -90.3743 -90.3743 -10.5463 -10.5463 1.3088 1.3138 3.2290 3.2358 5.0549 5.0550 17.8962 17.8994 19.6498 19.6537 23.0746 23.0747 23.6897 23.6978 k = 0.2727 0.1575 0.4454 ( 935 PWs) bands (ev): -90.3744 -90.3744 -10.5769 -10.5769 1.3292 1.3340 3.2829 3.2896 5.0944 5.0944 17.9614 17.9651 19.5831 19.5864 23.0210 23.0210 23.6346 23.6427 k = 0.2685 0.1550 0.4384 ( 935 PWs) bands (ev): -90.3744 -90.3744 -10.6086 -10.6085 1.3534 1.3581 3.3376 3.3442 5.1335 5.1335 18.0130 18.0173 19.5304 19.5329 22.9684 22.9685 23.5793 23.5873 k = 0.2642 0.1525 0.4314 ( 929 PWs) bands (ev): -90.3745 -90.3745 -10.6412 -10.6412 1.3816 1.3862 3.3931 3.3995 5.1723 5.1723 18.0481 18.0531 19.4945 19.4963 22.9169 22.9170 23.5237 23.5317 k = 0.2599 0.1501 0.4245 ( 929 PWs) bands (ev): -90.3745 -90.3745 -10.6748 -10.6748 1.4136 1.4181 3.4493 3.4556 5.2107 5.2108 18.0644 18.0700 19.4778 19.4789 22.8665 22.8666 23.4679 23.4758 k = 0.2557 0.1476 0.4175 ( 929 PWs) bands (ev): -90.3745 -90.3745 -10.7093 -10.7093 1.4494 1.4537 3.5061 3.5123 5.2487 5.2487 18.0607 18.0668 19.4814 19.4819 22.8172 22.8172 23.4120 23.4198 k = 0.2514 0.1452 0.4106 ( 931 PWs) bands (ev): -90.3746 -90.3746 -10.7447 -10.7447 1.4890 1.4932 3.5636 3.5697 5.2862 5.2863 18.0375 18.0441 19.5049 19.5049 22.7689 22.7689 23.3559 23.3637 k = 0.2472 0.1427 0.4036 ( 931 PWs) bands (ev): -90.3746 -90.3746 -10.7809 -10.7809 1.5323 1.5364 3.6217 3.6276 5.3232 5.3233 17.9969 18.0038 19.5458 19.5462 22.7216 22.7216 23.2998 23.3075 k = 0.2429 0.1402 0.3967 ( 929 PWs) bands (ev): -90.3747 -90.3747 -10.8179 -10.8178 1.5793 1.5834 3.6803 3.6862 5.3597 5.3597 17.9419 17.9488 19.6017 19.6022 22.6753 22.6753 23.2436 23.2512 k = 0.2386 0.1378 0.3897 ( 925 PWs) bands (ev): -90.3747 -90.3747 -10.8555 -10.8555 1.6299 1.6339 3.7395 3.7453 5.3956 5.3956 17.8752 17.8822 19.6695 19.6701 22.6299 22.6299 23.1874 23.1950 k = 0.2344 0.1353 0.3827 ( 925 PWs) bands (ev): -90.3748 -90.3748 -10.8938 -10.8937 1.6841 1.6880 3.7991 3.8048 5.4309 5.4309 17.7997 17.8066 19.7463 19.7469 22.5854 22.5855 23.1312 23.1387 k = 0.2301 0.1329 0.3758 ( 929 PWs) bands (ev): -90.3749 -90.3749 -10.9327 -10.9326 1.7417 1.7456 3.8592 3.8648 5.4655 5.4656 17.7176 17.7244 19.8298 19.8304 22.5418 22.5419 23.0750 23.0824 k = 0.2259 0.1304 0.3688 ( 929 PWs) bands (ev): -90.3749 -90.3749 -10.9720 -10.9720 1.8029 1.8066 3.9196 3.9251 5.4995 5.4995 17.6306 17.6373 19.9181 19.9187 22.4990 22.4991 23.0189 23.0263 k = 0.2216 0.1279 0.3619 ( 929 PWs) bands (ev): -90.3750 -90.3750 -11.0119 -11.0118 1.8673 1.8710 3.9804 3.9858 5.5327 5.5327 17.5401 17.5466 20.0098 20.0102 22.4570 22.4571 22.9630 22.9703 k = 0.2173 0.1255 0.3549 ( 929 PWs) bands (ev): -90.3750 -90.3750 -11.0521 -11.0520 1.9350 1.9386 4.0415 4.0468 5.5652 5.5652 17.4471 17.4534 20.1035 20.1039 22.4157 22.4158 22.9072 22.9145 k = 0.2131 0.1230 0.3479 ( 929 PWs) bands (ev): -90.3751 -90.3751 -11.0926 -11.0926 2.0059 2.0094 4.1029 4.1081 5.5969 5.5969 17.3523 17.3585 20.1985 20.1987 22.3751 22.3751 22.8517 22.8588 k = 0.2088 0.1206 0.3410 ( 933 PWs) bands (ev): -90.3751 -90.3751 -11.1335 -11.1334 2.0798 2.0833 4.1644 4.1696 5.6278 5.6279 17.2564 17.2623 20.2938 20.2939 22.3350 22.3350 22.7963 22.8034 k = 0.2045 0.1181 0.3340 ( 925 PWs) bands (ev): -90.3752 -90.3752 -11.1745 -11.1744 2.1568 2.1602 4.2262 4.2313 5.6580 5.6580 17.1597 17.1655 20.3888 20.3888 22.2955 22.2955 22.7413 22.7483 k = 0.2003 0.1156 0.3271 ( 925 PWs) bands (ev): -90.3752 -90.3752 -11.2156 -11.2156 2.2366 2.2400 4.2880 4.2930 5.6873 5.6873 17.0627 17.0683 20.4828 20.4829 22.2565 22.2565 22.6866 22.6935 k = 0.1960 0.1132 0.3201 ( 929 PWs) bands (ev): -90.3753 -90.3753 -11.2569 -11.2569 2.3191 2.3225 4.3499 4.3548 5.7158 5.7158 16.9655 16.9709 20.5753 20.5756 22.2180 22.2180 22.6322 22.6390 k = 0.1918 0.1107 0.3131 ( 929 PWs) bands (ev): -90.3754 -90.3754 -11.2981 -11.2981 2.4044 2.4077 4.4118 4.4167 5.7434 5.7434 16.8684 16.8737 20.6658 20.6663 22.1798 22.1799 22.5782 22.5849 k = 0.1875 0.1083 0.3062 ( 927 PWs) bands (ev): -90.3754 -90.3754 -11.3393 -11.3393 2.4922 2.4954 4.4737 4.4785 5.7701 5.7702 16.7717 16.7767 20.7539 20.7545 22.1421 22.1421 22.5246 22.5313 k = 0.1832 0.1058 0.2992 ( 931 PWs) bands (ev): -90.3755 -90.3755 -11.3804 -11.3804 2.5825 2.5857 4.5354 4.5401 5.7960 5.7961 16.6754 16.6802 20.8391 20.8399 22.1046 22.1047 22.4715 22.4781 k = 0.1790 0.1033 0.2923 ( 931 PWs) bands (ev): -90.3756 -90.3756 -11.4214 -11.4214 2.6751 2.6782 4.5970 4.6017 5.8210 5.8211 16.5796 16.5843 20.9211 20.9220 22.0675 22.0675 22.4190 22.4255 k = 0.1747 0.1009 0.2853 ( 935 PWs) bands (ev): -90.3756 -90.3756 -11.4621 -11.4621 2.7698 2.7729 4.6585 4.6630 5.8452 5.8452 16.4845 16.4889 20.9992 21.0003 22.0306 22.0306 22.3670 22.3734 k = 0.1705 0.0984 0.2784 ( 935 PWs) bands (ev): -90.3757 -90.3757 -11.5026 -11.5026 2.8667 2.8698 4.7196 4.7241 5.8684 5.8684 16.3900 16.3943 21.0732 21.0745 21.9940 21.9940 22.3156 22.3219 k = 0.1662 0.0960 0.2714 ( 935 PWs) bands (ev): -90.3758 -90.3758 -11.5427 -11.5427 2.9656 2.9686 4.7804 4.7848 5.8908 5.8908 16.2963 16.3004 21.1428 21.1441 21.9576 21.9576 22.2649 22.2711 k = 0.1619 0.0935 0.2644 ( 935 PWs) bands (ev): -90.3758 -90.3758 -11.5824 -11.5824 3.0663 3.0692 4.8409 4.8452 5.9123 5.9123 16.2034 16.2074 21.2074 21.2089 21.9215 21.9215 22.2149 22.2210 k = 0.1577 0.0910 0.2575 ( 933 PWs) bands (ev): -90.3759 -90.3759 -11.6217 -11.6217 3.1686 3.1716 4.9009 4.9052 5.9329 5.9329 16.1114 16.1152 21.2668 21.2685 21.8856 21.8856 22.1657 22.1717 k = 0.1534 0.0886 0.2505 ( 933 PWs) bands (ev): -90.3759 -90.3759 -11.6605 -11.6605 3.2725 3.2755 4.9604 4.9646 5.9526 5.9527 16.0203 16.0238 21.3207 21.3225 21.8499 21.8499 22.1173 22.1232 k = 0.1491 0.0861 0.2436 ( 933 PWs) bands (ev): -90.3760 -90.3760 -11.6988 -11.6988 3.3778 3.3807 5.0193 5.0234 5.9715 5.9716 15.9300 15.9334 21.3687 21.3707 21.8145 21.8145 22.0698 22.0757 k = 0.1449 0.0837 0.2366 ( 933 PWs) bands (ev): -90.3761 -90.3761 -11.7365 -11.7365 3.4844 3.4872 5.0776 5.0817 5.9896 5.9896 15.8407 15.8439 21.4108 21.4129 21.7794 21.7794 22.0234 22.0291 k = 0.1406 0.0812 0.2296 ( 933 PWs) bands (ev): -90.3761 -90.3761 -11.7736 -11.7736 3.5920 3.5948 5.1352 5.1392 6.0068 6.0068 15.7523 15.7554 21.4466 21.4488 21.7445 21.7446 21.9780 21.9836 k = 0.1364 0.0787 0.2227 ( 933 PWs) bands (ev): -90.3762 -90.3762 -11.8100 -11.8100 3.7005 3.7033 5.1921 5.1959 6.0232 6.0232 15.6649 15.6678 21.4760 21.4783 21.7100 21.7101 21.9339 21.9393 k = 0.1321 0.0763 0.2157 ( 923 PWs) bands (ev): -90.3762 -90.3762 -11.8457 -11.8457 3.8100 3.8127 5.2481 5.2519 6.0388 6.0389 15.5785 15.5812 21.4989 21.5012 21.6759 21.6759 21.8912 21.8964 k = 0.1278 0.0738 0.2088 ( 923 PWs) bands (ev): -90.3763 -90.3763 -11.8806 -11.8806 3.9198 3.9225 5.3032 5.3069 6.0536 6.0537 15.4931 15.4957 21.5153 21.5176 21.6422 21.6422 21.8500 21.8549 k = 0.1236 0.0713 0.2018 ( 923 PWs) bands (ev): -90.3764 -90.3764 -11.9148 -11.9148 4.0300 4.0327 5.3573 5.3609 6.0677 6.0677 15.4088 15.4112 21.5251 21.5273 21.6089 21.6089 21.8105 21.8151 k = 0.1193 0.0689 0.1948 ( 923 PWs) bands (ev): -90.3764 -90.3764 -11.9481 -11.9481 4.1405 4.1431 5.4105 5.4139 6.0810 6.0810 15.3255 15.3277 21.5284 21.5303 21.5762 21.5762 21.7729 21.7771 k = 0.1151 0.0664 0.1879 ( 927 PWs) bands (ev): -90.3765 -90.3765 -11.9805 -11.9805 4.2508 4.2534 5.4624 5.4658 6.0935 6.0936 15.2433 15.2453 21.5253 21.5269 21.5440 21.5440 21.7373 21.7409 k = 0.1108 0.0640 0.1809 ( 925 PWs) bands (ev): -90.3765 -90.3765 -12.0121 -12.0121 4.3611 4.3636 5.5133 5.5166 6.1054 6.1055 15.1623 15.1642 21.5118 21.5119 21.5168 21.5181 21.7036 21.7067 k = 0.1065 0.0615 0.1740 ( 925 PWs) bands (ev): -90.3766 -90.3766 -12.0427 -12.0427 4.4708 4.4732 5.5629 5.5661 6.1166 6.1166 15.0824 15.0841 21.4811 21.4812 21.5021 21.5028 21.6717 21.6740 k = 0.1023 0.0590 0.1670 ( 927 PWs) bands (ev): -90.3766 -90.3766 -12.0724 -12.0724 4.5798 4.5822 5.6111 5.6142 6.1271 6.1271 15.0038 15.0054 21.4509 21.4510 21.4831 21.4833 21.6410 21.6426 k = 0.0980 0.0566 0.1601 ( 927 PWs) bands (ev): -90.3767 -90.3767 -12.1011 -12.1010 4.6880 4.6903 5.6580 5.6610 6.1370 6.1370 14.9265 14.9279 21.4214 21.4214 21.4603 21.4607 21.6109 21.6118 k = 0.0938 0.0541 0.1531 ( 929 PWs) bands (ev): -90.3767 -90.3767 -12.1287 -12.1287 4.7949 4.7972 5.7035 5.7064 6.1462 6.1463 14.8505 14.8518 21.3926 21.3927 21.4350 21.4358 21.5808 21.5811 k = 0.0895 0.0517 0.1461 ( 929 PWs) bands (ev): -90.3768 -90.3768 -12.1553 -12.1553 4.9004 4.9026 5.7475 5.7503 6.1549 6.1549 14.7761 14.7773 21.3648 21.3649 21.4082 21.4093 21.5501 21.5503 k = 0.0852 0.0492 0.1392 ( 929 PWs) bands (ev): -90.3768 -90.3768 -12.1808 -12.1808 5.0042 5.0064 5.7899 5.7926 6.1630 6.1630 14.7032 14.7043 21.3378 21.3379 21.3807 21.3821 21.5185 21.5191 k = 0.0810 0.0467 0.1322 ( 929 PWs) bands (ev): -90.3769 -90.3769 -12.2052 -12.2052 5.1060 5.1081 5.8307 5.8333 6.1705 6.1706 14.6320 14.6330 21.3119 21.3119 21.3530 21.3546 21.4862 21.4871 k = 0.0767 0.0443 0.1253 ( 929 PWs) bands (ev): -90.3769 -90.3769 -12.2285 -12.2285 5.2054 5.2075 5.8698 5.8723 6.1775 6.1776 14.5627 14.5635 21.2869 21.2870 21.3257 21.3274 21.4534 21.4545 k = 0.0724 0.0418 0.1183 ( 929 PWs) bands (ev): -90.3770 -90.3770 -12.2507 -12.2507 5.3023 5.3043 5.9072 5.9095 6.1840 6.1841 14.4953 14.4960 21.2630 21.2631 21.2990 21.3007 21.4202 21.4214 k = 0.0682 0.0394 0.1113 ( 929 PWs) bands (ev): -90.3770 -90.3770 -12.2717 -12.2717 5.3963 5.3982 5.9427 5.9450 6.1900 6.1901 14.4301 14.4307 21.2402 21.2403 21.2731 21.2749 21.3868 21.3882 k = 0.0639 0.0369 0.1044 ( 929 PWs) bands (ev): -90.3770 -90.3770 -12.2915 -12.2915 5.4869 5.4887 5.9764 5.9785 6.1956 6.1957 14.3672 14.3677 21.2185 21.2186 21.2483 21.2500 21.3536 21.3550 k = 0.0597 0.0344 0.0974 ( 929 PWs) bands (ev): -90.3771 -90.3771 -12.3101 -12.3101 5.5739 5.5757 6.0082 6.0102 6.2007 6.2008 14.3068 14.3072 21.1981 21.1982 21.2246 21.2263 21.3208 21.3222 k = 0.0554 0.0320 0.0905 ( 929 PWs) bands (ev): -90.3771 -90.3771 -12.3275 -12.3275 5.6570 5.6587 6.0380 6.0399 6.2055 6.2056 14.2491 14.2494 21.1789 21.1789 21.2021 21.2038 21.2887 21.2902 k = 0.0511 0.0295 0.0835 ( 933 PWs) bands (ev): -90.3771 -90.3771 -12.3437 -12.3437 5.7358 5.7373 6.0658 6.0675 6.2098 6.2099 14.1943 14.1946 21.1609 21.1610 21.1811 21.1826 21.2578 21.2592 k = 0.0469 0.0271 0.0765 ( 933 PWs) bands (ev): -90.3772 -90.3772 -12.3587 -12.3587 5.8098 5.8113 6.0915 6.0931 6.2138 6.2139 14.1428 14.1430 21.1442 21.1444 21.1615 21.1629 21.2282 21.2295 k = 0.0426 0.0246 0.0696 ( 937 PWs) bands (ev): -90.3772 -90.3772 -12.3723 -12.3723 5.8788 5.8802 6.1151 6.1166 6.2175 6.2176 14.0946 14.0948 21.1289 21.1290 21.1434 21.1447 21.2002 21.2015 k = 0.0384 0.0221 0.0626 ( 937 PWs) bands (ev): -90.3772 -90.3772 -12.3847 -12.3847 5.9425 5.9437 6.1365 6.1379 6.2209 6.2210 14.0501 14.0502 21.1150 21.1151 21.1269 21.1281 21.1741 21.1753 k = 0.0341 0.0197 0.0557 ( 941 PWs) bands (ev): -90.3772 -90.3772 -12.3959 -12.3959 6.0003 6.0014 6.1558 6.1571 6.2241 6.2242 14.0095 14.0095 21.1024 21.1025 21.1120 21.1130 21.1502 21.1513 k = 0.0298 0.0172 0.0487 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4057 -12.4057 6.0519 6.0529 6.1729 6.1740 6.2271 6.2272 13.9730 13.9730 21.0912 21.0914 21.0988 21.0997 21.1285 21.1295 k = 0.0256 0.0148 0.0418 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4143 -12.4143 6.0970 6.0979 6.1878 6.1888 6.2301 6.2302 13.9408 13.9408 21.0814 21.0816 21.0873 21.0880 21.1095 21.1103 k = 0.0213 0.0123 0.0348 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4215 -12.4215 6.1349 6.1356 6.2008 6.2016 6.2330 6.2331 13.9132 13.9132 21.0730 21.0733 21.0776 21.0781 21.0931 21.0938 k = 0.0170 0.0098 0.0278 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4274 -12.4274 6.1649 6.1654 6.2124 6.2130 6.2359 6.2360 13.8903 13.8903 21.0660 21.0663 21.0698 21.0701 21.0796 21.0801 k = 0.0128 0.0074 0.0209 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4321 -12.4321 6.1860 6.1863 6.2233 6.2236 6.2388 6.2389 13.8724 13.8724 21.0604 21.0607 21.0637 21.0639 21.0691 21.0694 k = 0.0085 0.0049 0.0139 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4354 -12.4354 6.1985 6.1985 6.2335 6.2336 6.2413 6.2413 13.8594 13.8594 21.0562 21.0563 21.0595 21.0595 21.0617 21.0619 k = 0.0043 0.0025 0.0070 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4373 -12.4373 6.2044 6.2044 6.2409 6.2409 6.2430 6.2430 13.8516 13.8516 21.0534 21.0534 21.0570 21.0570 21.0575 21.0575 k = 0.0000 0.0000 0.0000 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4380 -12.4380 6.2061 6.2061 6.2436 6.2436 6.2436 6.2436 13.8490 13.8490 21.0523 21.0523 21.0562 21.0562 21.0562 21.0562 k = 0.0000 0.0000 0.0000 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4380 -12.4380 6.2061 6.2061 6.2436 6.2436 6.2436 6.2436 13.8490 13.8490 21.0523 21.0523 21.0562 21.0562 21.0562 21.0562 k = 0.0069 0.0040 0.0028 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4373 -12.4373 6.2044 6.2044 6.2408 6.2408 6.2431 6.2431 13.8516 13.8516 21.0534 21.0534 21.0572 21.0572 21.0573 21.0573 k = 0.0139 0.0080 0.0057 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4354 -12.4354 6.1982 6.1982 6.2335 6.2335 6.2417 6.2417 13.8594 13.8594 21.0566 21.0566 21.0602 21.0602 21.0607 21.0607 k = 0.0208 0.0120 0.0085 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4321 -12.4321 6.1847 6.1847 6.2247 6.2247 6.2393 6.2393 13.8723 13.8723 21.0618 21.0618 21.0653 21.0653 21.0663 21.0663 k = 0.0278 0.0160 0.0113 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4275 -12.4275 6.1611 6.1611 6.2171 6.2171 6.2359 6.2359 13.8902 13.8902 21.0691 21.0691 21.0724 21.0724 21.0742 21.0742 k = 0.0347 0.0200 0.0142 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4216 -12.4216 6.1280 6.1280 6.2105 6.2105 6.2316 6.2316 13.9130 13.9130 21.0782 21.0782 21.0814 21.0814 21.0843 21.0843 k = 0.0417 0.0241 0.0170 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4144 -12.4144 6.0864 6.0864 6.2040 6.2040 6.2263 6.2263 13.9405 13.9405 21.0892 21.0892 21.0923 21.0923 21.0966 21.0966 k = 0.0486 0.0281 0.0198 ( 941 PWs) bands (ev): -90.3773 -90.3773 -12.4059 -12.4059 6.0370 6.0370 6.1971 6.1971 6.2201 6.2201 13.9726 13.9726 21.1021 21.1021 21.1051 21.1051 21.1109 21.1109 k = 0.0556 0.0321 0.0227 ( 941 PWs) bands (ev): -90.3772 -90.3772 -12.3961 -12.3961 5.9804 5.9804 6.1896 6.1896 6.2131 6.2131 14.0091 14.0091 21.1166 21.1166 21.1196 21.1196 21.1271 21.1271 k = 0.0625 0.0361 0.0255 ( 941 PWs) bands (ev): -90.3772 -90.3772 -12.3850 -12.3850 5.9169 5.9169 6.1814 6.1814 6.2051 6.2051 14.0497 14.0497 21.1328 21.1328 21.1358 21.1358 21.1450 21.1450 k = 0.0694 0.0401 0.0284 ( 935 PWs) bands (ev): -90.3772 -90.3772 -12.3726 -12.3726 5.8471 5.8471 6.1724 6.1724 6.1963 6.1963 14.0942 14.0942 21.1507 21.1507 21.1536 21.1536 21.1646 21.1646 k = 0.0764 0.0441 0.0312 ( 935 PWs) bands (ev): -90.3772 -90.3772 -12.3590 -12.3590 5.7712 5.7712 6.1626 6.1626 6.1866 6.1866 14.1424 14.1424 21.1699 21.1699 21.1729 21.1729 21.1856 21.1856 k = 0.0833 0.0481 0.0340 ( 929 PWs) bands (ev): -90.3771 -90.3771 -12.3441 -12.3441 5.6895 5.6895 6.1520 6.1520 6.1762 6.1762 14.1940 14.1940 21.1906 21.1906 21.1936 21.1936 21.2079 21.2079 k = 0.0903 0.0521 0.0369 ( 929 PWs) bands (ev): -90.3771 -90.3771 -12.3280 -12.3280 5.6025 5.6025 6.1407 6.1407 6.1650 6.1650 14.2488 14.2488 21.2126 21.2126 21.2156 21.2156 21.2311 21.2311 k = 0.0972 0.0561 0.0397 ( 929 PWs) bands (ev): -90.3771 -90.3771 -12.3107 -12.3107 5.5104 5.5104 6.1287 6.1287 6.1530 6.1530 14.3066 14.3066 21.2356 21.2356 21.2387 21.2387 21.2552 21.2552 k = 0.1042 0.0601 0.0425 ( 932 PWs) bands (ev): -90.3770 -90.3770 -12.2922 -12.2922 5.4136 5.4136 6.1160 6.1160 6.1402 6.1402 14.3671 14.3671 21.2597 21.2597 21.2628 21.2628 21.2800 21.2800 k = 0.1111 0.0642 0.0454 ( 932 PWs) bands (ev): -90.3770 -90.3770 -12.2725 -12.2725 5.3126 5.3126 6.1025 6.1025 6.1268 6.1268 14.4302 14.4302 21.2846 21.2846 21.2878 21.2878 21.3051 21.3051 k = 0.1181 0.0682 0.0482 ( 932 PWs) bands (ev): -90.3770 -90.3770 -12.2516 -12.2516 5.2075 5.2075 6.0885 6.0885 6.1128 6.1128 14.4955 14.4955 21.3102 21.3102 21.3135 21.3135 21.3304 21.3304 k = 0.1250 0.0722 0.0510 ( 926 PWs) bands (ev): -90.3769 -90.3769 -12.2296 -12.2296 5.0988 5.0988 6.0739 6.0739 6.0982 6.0982 14.5630 14.5630 21.3364 21.3364 21.3397 21.3397 21.3557 21.3557 k = 0.1319 0.0762 0.0539 ( 926 PWs) bands (ev): -90.3769 -90.3769 -12.2064 -12.2064 4.9868 4.9868 6.0586 6.0586 6.0829 6.0829 14.6324 14.6324 21.3630 21.3630 21.3664 21.3664 21.3807 21.3807 k = 0.1389 0.0802 0.0567 ( 926 PWs) bands (ev): -90.3768 -90.3768 -12.1822 -12.1822 4.8718 4.8718 6.0429 6.0429 6.0671 6.0671 14.7036 14.7036 21.3898 21.3898 21.3933 21.3933 21.4051 21.4051 k = 0.1458 0.0842 0.0595 ( 926 PWs) bands (ev): -90.3768 -90.3768 -12.1569 -12.1569 4.7540 4.7540 6.0266 6.0266 6.0508 6.0508 14.7763 14.7763 21.4166 21.4166 21.4202 21.4202 21.4289 21.4289 k = 0.1528 0.0882 0.0624 ( 923 PWs) bands (ev): -90.3767 -90.3767 -12.1305 -12.1305 4.6339 4.6339 6.0099 6.0099 6.0341 6.0341 14.8505 14.8505 21.4433 21.4433 21.4470 21.4470 21.4517 21.4517 k = 0.1597 0.0922 0.0652 ( 923 PWs) bands (ev): -90.3767 -90.3767 -12.1031 -12.1031 4.5116 4.5116 5.9928 5.9928 6.0169 6.0169 14.9260 14.9260 21.4695 21.4695 21.4735 21.4735 21.4736 21.4736 k = 0.1667 0.0962 0.0680 ( 917 PWs) bands (ev): -90.3766 -90.3766 -12.0746 -12.0746 4.3875 4.3875 5.9753 5.9753 5.9994 5.9994 15.0026 15.0026 21.4926 21.4926 21.4967 21.4967 21.4998 21.4998 k = 0.1736 0.1002 0.0709 ( 917 PWs) bands (ev): -90.3766 -90.3766 -12.0453 -12.0453 4.2617 4.2617 5.9574 5.9574 5.9815 5.9815 15.0804 15.0804 21.5115 21.5115 21.5218 21.5218 21.5253 21.5253 k = 0.1806 0.1042 0.0737 ( 917 PWs) bands (ev): -90.3765 -90.3765 -12.0150 -12.0150 4.1346 4.1346 5.9393 5.9393 5.9633 5.9633 15.1590 15.1590 21.5284 21.5284 21.5465 21.5465 21.5501 21.5501 k = 0.1875 0.1083 0.0765 ( 920 PWs) bands (ev): -90.3765 -90.3765 -11.9838 -11.9838 4.0064 4.0064 5.9209 5.9209 5.9449 5.9449 15.2386 15.2386 21.5432 21.5432 21.5703 21.5703 21.5740 21.5740 k = 0.1944 0.1123 0.0794 ( 920 PWs) bands (ev): -90.3764 -90.3764 -11.9518 -11.9518 3.8773 3.8773 5.9022 5.9022 5.9262 5.9262 15.3189 15.3189 21.5560 21.5560 21.5931 21.5931 21.5969 21.5969 k = 0.2014 0.1163 0.0822 ( 920 PWs) bands (ev): -90.3764 -90.3764 -11.9189 -11.9189 3.7476 3.7476 5.8834 5.8834 5.9073 5.9073 15.3998 15.3998 21.5666 21.5666 21.6147 21.6147 21.6186 21.6186 k = 0.2083 0.1203 0.0851 ( 920 PWs) bands (ev): -90.3763 -90.3763 -11.8853 -11.8853 3.6175 3.6175 5.8644 5.8644 5.8883 5.8883 15.4814 15.4814 21.5748 21.5748 21.6351 21.6351 21.6390 21.6390 k = 0.2153 0.1243 0.0879 ( 932 PWs) bands (ev): -90.3763 -90.3763 -11.8509 -11.8509 3.4870 3.4870 5.8453 5.8453 5.8692 5.8692 15.5634 15.5634 21.5805 21.5805 21.6540 21.6540 21.6580 21.6580 k = 0.2222 0.1283 0.0907 ( 932 PWs) bands (ev): -90.3762 -90.3762 -11.8159 -11.8159 3.3567 3.3567 5.8262 5.8262 5.8500 5.8500 15.6459 15.6459 21.5838 21.5838 21.6715 21.6715 21.6755 21.6755 k = 0.2292 0.1323 0.0936 ( 932 PWs) bands (ev): -90.3761 -90.3761 -11.7802 -11.7802 3.2266 3.2266 5.8070 5.8070 5.8308 5.8308 15.7288 15.7288 21.5845 21.5845 21.6874 21.6874 21.6914 21.6914 k = 0.2361 0.1363 0.0964 ( 932 PWs) bands (ev): -90.3761 -90.3761 -11.7439 -11.7439 3.0968 3.0968 5.7879 5.7879 5.8116 5.8116 15.8120 15.8120 21.5827 21.5827 21.7016 21.7016 21.7057 21.7057 k = 0.2431 0.1403 0.0992 ( 932 PWs) bands (ev): -90.3760 -90.3760 -11.7071 -11.7071 2.9676 2.9676 5.7688 5.7688 5.7925 5.7925 15.8954 15.8954 21.5782 21.5782 21.7142 21.7142 21.7183 21.7183 k = 0.2500 0.1443 0.1021 ( 935 PWs) bands (ev): -90.3760 -90.3760 -11.6698 -11.6698 2.8392 2.8392 5.7498 5.7498 5.7734 5.7734 15.9790 15.9790 21.5711 21.5711 21.7250 21.7250 21.7292 21.7292 k = 0.2569 0.1483 0.1049 ( 935 PWs) bands (ev): -90.3759 -90.3759 -11.6321 -11.6321 2.7117 2.7117 5.7309 5.7309 5.7545 5.7545 16.0627 16.0627 21.5614 21.5614 21.7341 21.7341 21.7383 21.7383 k = 0.2639 0.1524 0.1077 ( 935 PWs) bands (ev): -90.3759 -90.3759 -11.5941 -11.5941 2.5853 2.5853 5.7122 5.7122 5.7357 5.7357 16.1465 16.1465 21.5492 21.5492 21.7415 21.7415 21.7457 21.7457 k = 0.2708 0.1564 0.1106 ( 941 PWs) bands (ev): -90.3758 -90.3758 -11.5558 -11.5558 2.4602 2.4602 5.6936 5.6936 5.7171 5.7171 16.2302 16.2302 21.5345 21.5345 21.7472 21.7472 21.7514 21.7514 k = 0.2778 0.1604 0.1134 ( 941 PWs) bands (ev): -90.3757 -90.3757 -11.5172 -11.5172 2.3366 2.3366 5.6753 5.6753 5.6987 5.6987 16.3138 16.3138 21.5174 21.5174 21.7512 21.7512 21.7554 21.7554 k = 0.2847 0.1644 0.1162 ( 938 PWs) bands (ev): -90.3757 -90.3757 -11.4785 -11.4785 2.2146 2.2146 5.6572 5.6572 5.6806 5.6806 16.3973 16.3973 21.4980 21.4980 21.7536 21.7536 21.7578 21.7578 k = 0.2917 0.1684 0.1191 ( 938 PWs) bands (ev): -90.3756 -90.3756 -11.4397 -11.4397 2.0944 2.0944 5.6394 5.6394 5.6628 5.6628 16.4806 16.4806 21.4764 21.4764 21.7544 21.7544 21.7586 21.7586 k = 0.2986 0.1724 0.1219 ( 938 PWs) bands (ev): -90.3756 -90.3756 -11.4010 -11.4010 1.9761 1.9761 5.6219 5.6219 5.6452 5.6452 16.5635 16.5635 21.4526 21.4526 21.7537 21.7537 21.7579 21.7579 k = 0.3056 0.1764 0.1247 ( 932 PWs) bands (ev): -90.3755 -90.3755 -11.3622 -11.3622 1.8600 1.8600 5.6048 5.6048 5.6280 5.6280 16.6461 16.6461 21.4268 21.4268 21.7516 21.7516 21.7558 21.7558 k = 0.3125 0.1804 0.1276 ( 932 PWs) bands (ev): -90.3754 -90.3754 -11.3237 -11.3237 1.7461 1.7461 5.5880 5.5880 5.6112 5.6112 16.7282 16.7282 21.3992 21.3992 21.7482 21.7482 21.7524 21.7524 k = 0.3194 0.1844 0.1304 ( 926 PWs) bands (ev): -90.3754 -90.3754 -11.2853 -11.2853 1.6347 1.6347 5.5716 5.5716 5.5948 5.5948 16.8098 16.8098 21.3698 21.3698 21.7436 21.7436 21.7477 21.7477 k = 0.3264 0.1884 0.1332 ( 926 PWs) bands (ev): -90.3753 -90.3753 -11.2473 -11.2473 1.5257 1.5257 5.5556 5.5556 5.5788 5.5788 16.8906 16.8906 21.3387 21.3387 21.7379 21.7379 21.7420 21.7420 k = 0.3333 0.1925 0.1361 ( 926 PWs) bands (ev): -90.3753 -90.3753 -11.2098 -11.2098 1.4196 1.4196 5.5401 5.5401 5.5632 5.5632 16.9708 16.9708 21.3062 21.3062 21.7312 21.7312 21.7353 21.7353 k = 0.3403 0.1965 0.1389 ( 926 PWs) bands (ev): -90.3752 -90.3752 -11.1727 -11.1727 1.3162 1.3162 5.5250 5.5250 5.5481 5.5481 17.0500 17.0500 21.2724 21.2724 21.7236 21.7236 21.7277 21.7277 k = 0.3472 0.2005 0.1418 ( 926 PWs) bands (ev): -90.3752 -90.3752 -11.1362 -11.1362 1.2160 1.2160 5.5104 5.5104 5.5334 5.5334 17.1283 17.1283 21.2375 21.2375 21.7153 21.7153 21.7193 21.7193 k = 0.3542 0.2045 0.1446 ( 926 PWs) bands (ev): -90.3751 -90.3751 -11.1004 -11.1004 1.1188 1.1188 5.4963 5.4963 5.5193 5.5193 17.2054 17.2054 21.2016 21.2016 21.7063 21.7063 21.7104 21.7104 k = 0.3611 0.2085 0.1474 ( 926 PWs) bands (ev): -90.3751 -90.3751 -11.0654 -11.0654 1.0251 1.0251 5.4827 5.4827 5.5057 5.5057 17.2813 17.2813 21.1648 21.1648 21.6969 21.6969 21.7009 21.7009 k = 0.3681 0.2125 0.1503 ( 932 PWs) bands (ev): -90.3751 -90.3751 -11.0313 -11.0313 0.9347 0.9347 5.4697 5.4697 5.4927 5.4927 17.3558 17.3558 21.1274 21.1274 21.6870 21.6870 21.6910 21.6910 k = 0.3750 0.2165 0.1531 ( 938 PWs) bands (ev): -90.3750 -90.3750 -10.9981 -10.9981 0.8479 0.8479 5.4572 5.4572 5.4801 5.4801 17.4288 17.4288 21.0896 21.0896 21.6769 21.6769 21.6809 21.6809 k = 0.3819 0.2205 0.1559 ( 938 PWs) bands (ev): -90.3750 -90.3750 -10.9661 -10.9661 0.7650 0.7650 5.4453 5.4453 5.4682 5.4682 17.5000 17.5000 21.0515 21.0515 21.6667 21.6667 21.6706 21.6706 k = 0.3889 0.2245 0.1588 ( 941 PWs) bands (ev): -90.3749 -90.3749 -10.9352 -10.9352 0.6859 0.6859 5.4340 5.4340 5.4569 5.4569 17.5693 17.5693 21.0134 21.0134 21.6564 21.6564 21.6603 21.6603 k = 0.3958 0.2285 0.1616 ( 941 PWs) bands (ev): -90.3749 -90.3749 -10.9056 -10.9056 0.6109 0.6109 5.4234 5.4234 5.4462 5.4462 17.6365 17.6365 20.9755 20.9755 21.6461 21.6461 21.6500 21.6500 k = 0.4028 0.2325 0.1644 ( 941 PWs) bands (ev): -90.3749 -90.3749 -10.8774 -10.8774 0.5400 0.5400 5.4133 5.4133 5.4362 5.4362 17.7014 17.7014 20.9381 20.9381 21.6360 21.6360 21.6399 21.6399 k = 0.4097 0.2366 0.1673 ( 941 PWs) bands (ev): -90.3748 -90.3748 -10.8506 -10.8506 0.4733 0.4733 5.4039 5.4039 5.4267 5.4267 17.7638 17.7638 20.9012 20.9012 21.6262 21.6262 21.6301 21.6301 k = 0.4167 0.2406 0.1701 ( 935 PWs) bands (ev): -90.3748 -90.3748 -10.8254 -10.8254 0.4112 0.4112 5.3952 5.3952 5.4180 5.4180 17.8233 17.8233 20.8654 20.8654 21.6168 21.6168 21.6206 21.6206 k = 0.4236 0.2446 0.1729 ( 932 PWs) bands (ev): -90.3748 -90.3748 -10.8018 -10.8018 0.3535 0.3535 5.3871 5.3871 5.4099 5.4099 17.8797 17.8797 20.8307 20.8307 21.6078 21.6078 21.6116 21.6116 k = 0.4306 0.2486 0.1758 ( 932 PWs) bands (ev): -90.3747 -90.3747 -10.7800 -10.7800 0.3004 0.3004 5.3797 5.3797 5.4024 5.4024 17.9328 17.9328 20.7975 20.7975 21.5993 21.5993 21.6031 21.6031 k = 0.4375 0.2526 0.1786 ( 935 PWs) bands (ev): -90.3747 -90.3747 -10.7599 -10.7599 0.2520 0.2520 5.3729 5.3729 5.3956 5.3956 17.9822 17.9822 20.7661 20.7661 21.5914 21.5914 21.5952 21.5952 k = 0.4444 0.2566 0.1814 ( 936 PWs) bands (ev): -90.3747 -90.3747 -10.7418 -10.7418 0.2084 0.2084 5.3668 5.3668 5.3896 5.3896 18.0275 18.0275 20.7368 20.7368 21.5841 21.5841 21.5879 21.5879 k = 0.4514 0.2606 0.1843 ( 936 PWs) bands (ev): -90.3747 -90.3747 -10.7256 -10.7256 0.1698 0.1698 5.3615 5.3615 5.3842 5.3842 18.0686 18.0686 20.7099 20.7099 21.5776 21.5776 21.5813 21.5813 k = 0.4583 0.2646 0.1871 ( 936 PWs) bands (ev): -90.3747 -90.3747 -10.7115 -10.7115 0.1361 0.1361 5.3568 5.3568 5.3795 5.3795 18.1050 18.1050 20.6858 20.6858 21.5718 21.5718 21.5756 21.5756 k = 0.4653 0.2686 0.1899 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6994 -10.6994 0.1075 0.1075 5.3529 5.3529 5.3756 5.3756 18.1365 18.1365 20.6648 20.6648 21.5668 21.5668 21.5706 21.5706 k = 0.4722 0.2726 0.1928 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6894 -10.6894 0.0840 0.0840 5.3496 5.3496 5.3723 5.3723 18.1627 18.1627 20.6471 20.6471 21.5627 21.5627 21.5665 21.5665 k = 0.4792 0.2766 0.1956 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6817 -10.6817 0.0657 0.0657 5.3471 5.3471 5.3698 5.3698 18.1834 18.1834 20.6331 20.6331 21.5595 21.5595 21.5632 21.5632 k = 0.4861 0.2807 0.1985 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6761 -10.6761 0.0526 0.0526 5.3453 5.3453 5.3680 5.3680 18.1984 18.1984 20.6229 20.6229 21.5572 21.5572 21.5609 21.5609 k = 0.4931 0.2847 0.2013 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6727 -10.6727 0.0447 0.0447 5.3442 5.3442 5.3669 5.3669 18.2074 18.2074 20.6167 20.6167 21.5558 21.5558 21.5595 21.5595 k = 0.5000 0.2887 0.2041 ( 912 PWs) bands (ev): -90.3746 -90.3746 -10.6716 -10.6716 0.0422 0.0422 5.3440 5.3440 5.3667 5.3667 18.2105 18.2105 20.6147 20.6147 21.5553 21.5553 21.5590 21.5590 k = 0.5000 0.2887 0.2041 ( 912 PWs) bands (ev): -90.3746 -90.3746 -10.6716 -10.6716 0.0422 0.0422 5.3440 5.3440 5.3667 5.3667 18.2105 18.2105 20.6147 20.6147 21.5553 21.5553 21.5590 21.5590 k = 0.5025 0.2816 0.2081 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6712 -10.6712 0.0429 0.0430 5.3421 5.3423 5.3649 5.3649 18.2126 18.2129 20.5988 20.5999 21.5589 21.5592 21.5713 21.5726 k = 0.5049 0.2745 0.2121 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6701 -10.6701 0.0454 0.0455 5.3367 5.3370 5.3604 5.3604 18.2192 18.2199 20.5552 20.5571 21.5658 21.5659 21.6112 21.6139 k = 0.5074 0.2674 0.2161 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6683 -10.6683 0.0494 0.0496 5.3269 5.3274 5.3537 5.3538 18.2303 18.2313 20.4898 20.4922 21.5768 21.5769 21.6718 21.6756 k = 0.5098 0.2604 0.2201 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6657 -10.6657 0.0552 0.0554 5.3119 5.3126 5.3457 5.3459 18.2457 18.2470 20.4089 20.4116 21.5922 21.5923 21.7468 21.7514 k = 0.5123 0.2533 0.2241 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6623 -10.6623 0.0626 0.0629 5.2916 5.2925 5.3367 5.3369 18.2653 18.2670 20.3176 20.3205 21.6118 21.6119 21.8310 21.8362 k = 0.5147 0.2462 0.2281 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6583 -10.6583 0.0716 0.0720 5.2662 5.2673 5.3265 5.3267 18.2888 18.2908 20.2195 20.2224 21.6357 21.6357 21.9210 21.9267 k = 0.5172 0.2391 0.2321 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6535 -10.6535 0.0823 0.0827 5.2361 5.2373 5.3150 5.3152 18.3158 18.3182 20.1172 20.1200 21.6638 21.6638 22.0145 22.0206 k = 0.5196 0.2321 0.2361 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6480 -10.6480 0.0945 0.0951 5.2014 5.2027 5.3021 5.3022 18.3460 18.3487 20.0127 20.0153 21.6959 21.6960 22.1099 22.1163 k = 0.5221 0.2250 0.2401 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6419 -10.6418 0.1085 0.1090 5.1623 5.1638 5.2878 5.2879 18.3786 18.3817 19.9075 19.9100 21.7321 21.7321 22.2060 22.2126 k = 0.5245 0.2179 0.2441 ( 934 PWs) bands (ev): -90.3746 -90.3745 -10.6350 -10.6350 0.1240 0.1246 5.1190 5.1206 5.2720 5.2721 18.4128 18.4162 19.8032 19.8055 21.7722 21.7722 22.3021 22.3090 k = 0.5270 0.2108 0.2482 ( 933 PWs) bands (ev): -90.3745 -90.3745 -10.6275 -10.6275 0.1411 0.1419 5.0717 5.0735 5.2549 5.2549 18.4473 18.4510 19.7016 19.7036 21.8161 21.8161 22.3976 22.4048 k = 0.5294 0.2038 0.2522 ( 929 PWs) bands (ev): -90.3745 -90.3745 -10.6193 -10.6193 0.1599 0.1607 5.0207 5.0226 5.2363 5.2364 18.4803 18.4844 19.6047 19.6065 21.8636 21.8636 22.4922 22.4996 k = 0.5319 0.1967 0.2562 ( 932 PWs) bands (ev): -90.3745 -90.3745 -10.6105 -10.6105 0.1802 0.1811 4.9659 4.9680 5.2165 5.2166 18.5090 18.5135 19.5154 19.5170 21.9147 21.9147 22.5855 22.5931 k = 0.5343 0.1896 0.2602 ( 932 PWs) bands (ev): -90.3745 -90.3745 -10.6011 -10.6011 0.2021 0.2031 4.9078 4.9099 5.1954 5.1955 18.5298 18.5345 19.4377 19.4391 21.9692 21.9692 22.6773 22.6851 k = 0.5368 0.1825 0.2642 ( 934 PWs) bands (ev): -90.3745 -90.3745 -10.5911 -10.5911 0.2256 0.2266 4.8464 4.8487 5.1731 5.1732 18.5376 18.5425 19.3765 19.3779 22.0269 22.0270 22.7674 22.7753 k = 0.5392 0.1755 0.2682 ( 934 PWs) bands (ev): -90.3745 -90.3745 -10.5806 -10.5805 0.2507 0.2518 4.7819 4.7844 5.1497 5.1498 18.5274 18.5323 19.3371 19.3385 22.0878 22.0878 22.8557 22.8637 k = 0.5417 0.1684 0.2722 ( 934 PWs) bands (ev): -90.3744 -90.3744 -10.5695 -10.5694 0.2772 0.2784 4.7147 4.7172 5.1252 5.1253 18.4957 18.5004 19.3226 19.3243 22.1515 22.1515 22.9420 22.9502 k = 0.5441 0.1613 0.2762 ( 936 PWs) bands (ev): -90.3744 -90.3744 -10.5579 -10.5578 0.3053 0.3066 4.6448 4.6475 5.0998 5.0998 18.4430 18.4473 19.3328 19.3349 22.2179 22.2180 23.0262 23.0346 k = 0.5466 0.1542 0.2802 ( 938 PWs) bands (ev): -90.3744 -90.3744 -10.5458 -10.5457 0.3350 0.3364 4.5724 4.5753 5.0734 5.0735 18.3728 18.3767 19.3639 19.3666 22.2869 22.2869 23.1084 23.1168 k = 0.5490 0.1472 0.2842 ( 936 PWs) bands (ev): -90.3744 -90.3744 -10.5332 -10.5332 0.3661 0.3676 4.4980 4.5010 5.0462 5.0462 18.2897 18.2932 19.4114 19.4145 22.3582 22.3582 23.1885 23.1970 k = 0.5515 0.1401 0.2882 ( 935 PWs) bands (ev): -90.3744 -90.3744 -10.5203 -10.5202 0.3987 0.4003 4.4216 4.4247 5.0182 5.0183 18.1978 18.2010 19.4710 19.4746 22.4317 22.4317 23.2663 23.2750 k = 0.5539 0.1330 0.2922 ( 935 PWs) bands (ev): -90.3743 -90.3743 -10.5069 -10.5069 0.4327 0.4344 4.3434 4.3467 4.9895 4.9896 18.1001 18.1029 19.5396 19.5436 22.5070 22.5070 23.3420 23.3507 k = 0.5564 0.1259 0.2962 ( 935 PWs) bands (ev): -90.3743 -90.3743 -10.4932 -10.4932 0.4681 0.4700 4.2637 4.2671 4.9602 4.9603 17.9986 18.0011 19.6151 19.6194 22.5840 22.5841 23.4156 23.4243 k = 0.5588 0.1189 0.3002 ( 935 PWs) bands (ev): -90.3743 -90.3743 -10.4792 -10.4792 0.5050 0.5069 4.1827 4.1863 4.9304 4.9304 17.8948 17.8971 19.6958 19.7004 22.6626 22.6626 23.4869 23.4957 k = 0.5613 0.1118 0.3042 ( 932 PWs) bands (ev): -90.3743 -90.3743 -10.4649 -10.4649 0.5432 0.5453 4.1006 4.1044 4.9001 4.9001 17.7897 17.7917 19.7806 19.7856 22.7423 22.7424 23.5562 23.5650 k = 0.5637 0.1047 0.3082 ( 932 PWs) bands (ev): -90.3742 -90.3742 -10.4504 -10.4504 0.5827 0.5850 4.0177 4.0216 4.8694 4.8694 17.6839 17.6858 19.8687 19.8739 22.8231 22.8231 23.6233 23.6322 k = 0.5662 0.0976 0.3122 ( 934 PWs) bands (ev): -90.3742 -90.3742 -10.4357 -10.4357 0.6236 0.6259 3.9340 3.9381 4.8384 4.8384 17.5780 17.5797 19.9593 19.9648 22.9046 22.9046 23.6883 23.6972 k = 0.5686 0.0906 0.3162 ( 932 PWs) bands (ev): -90.3742 -90.3742 -10.4209 -10.4208 0.6657 0.6682 3.8500 3.8542 4.8071 4.8072 17.4724 17.4739 20.0519 20.0576 22.9866 22.9866 23.7514 23.7603 k = 0.5711 0.0835 0.3202 ( 934 PWs) bands (ev): -90.3742 -90.3742 -10.4059 -10.4059 0.7090 0.7117 3.7657 3.7701 4.7757 4.7757 17.3673 17.3687 20.1460 20.1520 23.0689 23.0689 23.8124 23.8214 k = 0.5735 0.0764 0.3242 ( 934 PWs) bands (ev): -90.3742 -90.3742 -10.3909 -10.3909 0.7535 0.7564 3.6814 3.6860 4.7442 4.7442 17.2630 17.2642 20.2412 20.2474 23.1512 23.1513 23.8716 23.8805 k = 0.5760 0.0693 0.3282 ( 936 PWs) bands (ev): -90.3741 -90.3741 -10.3760 -10.3759 0.7991 0.8022 3.5973 3.6021 4.7127 4.7127 17.1597 17.1608 20.3370 20.3434 23.2333 23.2334 23.9289 23.9378 k = 0.5784 0.0623 0.3322 ( 940 PWs) bands (ev): -90.3741 -90.3741 -10.3610 -10.3610 0.8458 0.8491 3.5136 3.5187 4.6812 4.6812 17.0575 17.0584 20.4332 20.4398 23.3150 23.3151 23.9845 23.9934 k = 0.5809 0.0552 0.3362 ( 940 PWs) bands (ev): -90.3741 -90.3741 -10.3462 -10.3461 0.8934 0.8970 3.4306 3.4359 4.6498 4.6499 16.9565 16.9573 20.5292 20.5360 23.3960 23.3960 24.0385 24.0473 k = 0.5833 0.0481 0.3402 ( 940 PWs) bands (ev): -90.3741 -90.3741 -10.3315 -10.3314 0.9420 0.9458 3.3485 3.3541 4.6187 4.6187 16.8569 16.8576 20.6248 20.6318 23.4760 23.4761 24.0909 24.0996 k = 0.5858 0.0410 0.3442 ( 940 PWs) bands (ev): -90.3740 -90.3740 -10.3170 -10.3170 0.9914 0.9955 3.2675 3.2733 4.5878 4.5878 16.7587 16.7593 20.7196 20.7267 23.5549 23.5550 24.1418 24.1505 k = 0.5882 0.0340 0.3482 ( 944 PWs) bands (ev): -90.3740 -90.3740 -10.3028 -10.3027 1.0416 1.0460 3.1878 3.1939 4.5571 4.5572 16.6620 16.6626 20.8132 20.8205 23.6324 23.6324 24.1913 24.2000 k = 0.5907 0.0269 0.3522 ( 941 PWs) bands (ev): -90.3740 -90.3740 -10.2889 -10.2888 1.0923 1.0971 3.1097 3.1162 4.5269 4.5269 16.5669 16.5674 20.9053 20.9127 23.7083 23.7083 24.2396 24.2482 k = 0.5931 0.0198 0.3562 ( 941 PWs) bands (ev): -90.3740 -90.3740 -10.2754 -10.2753 1.1436 1.1487 3.0335 3.0404 4.4971 4.4972 16.4735 16.4739 20.9954 21.0030 23.7824 23.7825 24.2867 24.2952 k = 0.5956 0.0127 0.3602 ( 941 PWs) bands (ev): -90.3740 -90.3740 -10.2623 -10.2623 1.1951 1.2007 2.9594 2.9667 4.4678 4.4679 16.3819 16.3822 21.0833 21.0910 23.8545 23.8546 24.3328 24.3412 k = 0.5980 0.0057 0.3642 ( 941 PWs) bands (ev): -90.3739 -90.3739 -10.2497 -10.2497 1.2467 1.2528 2.8878 2.8956 4.4391 4.4391 16.2920 16.2922 21.1686 21.1764 23.9244 23.9245 24.3779 24.3861 k = 0.6005-0.0014 0.3682 ( 941 PWs) bands (ev): -90.3739 -90.3739 -10.2377 -10.2377 1.2982 1.3049 2.8189 2.8273 4.4110 4.4110 16.2039 16.2041 21.2508 21.2587 23.9920 23.9921 24.4220 24.4301 k = 0.6029-0.0085 0.3722 ( 937 PWs) bands (ev): -90.3739 -90.3739 -10.2263 -10.2262 1.3493 1.3565 2.7534 2.7623 4.3835 4.3835 16.1178 16.1179 21.3298 21.3377 24.0572 24.0573 24.4653 24.4733 k = 0.6054-0.0156 0.3762 ( 939 PWs) bands (ev): -90.3739 -90.3739 -10.2156 -10.2155 1.3995 1.4074 2.6914 2.7010 4.3567 4.3567 16.0336 16.0337 21.4050 21.4130 24.1197 24.1198 24.5077 24.5155 k = 0.6078-0.0226 0.3802 ( 941 PWs) bands (ev): -90.3739 -90.3739 -10.2056 -10.2055 1.4483 1.4571 2.6337 2.6441 4.3307 4.3307 15.9514 15.9514 21.4761 21.4842 24.1794 24.1796 24.5491 24.5567 k = 0.6103-0.0297 0.3842 ( 939 PWs) bands (ev): -90.3739 -90.3739 -10.1963 -10.1963 1.4953 1.5049 2.5810 2.5923 4.3055 4.3055 15.8712 15.8712 21.5430 21.5511 24.2363 24.2365 24.5895 24.5969 k = 0.6127-0.0368 0.3882 ( 939 PWs) bands (ev): -90.3738 -90.3738 -10.1880 -10.1879 1.5396 1.5501 2.5341 2.5462 4.2811 4.2811 15.7931 15.7931 21.6053 21.6134 24.2903 24.2905 24.6286 24.6358 k = 0.6152-0.0439 0.3922 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1805 -10.1805 1.5803 1.5917 2.4940 2.5071 4.2576 4.2576 15.7171 15.7171 21.6628 21.6709 24.3413 24.3415 24.6661 24.6730 k = 0.6176-0.0509 0.3962 ( 939 PWs) bands (ev): -90.3738 -90.3738 -10.1740 -10.1740 1.6164 1.6287 2.4619 2.4758 4.2350 4.2351 15.6433 15.6433 21.7154 21.7234 24.3892 24.3894 24.7013 24.7079 k = 0.6201-0.0580 0.4002 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1685 -10.1685 1.6467 1.6598 2.4390 2.4537 4.2134 4.2135 15.5717 15.5717 21.7628 21.7707 24.4340 24.4342 24.7336 24.7399 k = 0.6225-0.0651 0.4042 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1641 -10.1641 1.6703 1.6840 2.4265 2.4418 4.1928 4.1929 15.5024 15.5024 21.8051 21.8129 24.4757 24.4759 24.7620 24.7679 k = 0.6250-0.0722 0.4082 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1608 -10.1608 1.6866 1.7005 2.4251 2.4406 4.1733 4.1733 15.4353 15.4354 21.8422 21.8499 24.5143 24.5144 24.7851 24.7906 k = 0.6250-0.0722 0.4082 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1608 -10.1608 1.6866 1.7005 2.4251 2.4406 4.1733 4.1733 15.4353 15.4354 21.8422 21.8499 24.5143 24.5144 24.7851 24.7906 k = 0.6208-0.0698 0.4151 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1607 -10.1606 1.6872 1.7012 2.4255 2.4411 4.1707 4.1709 15.4381 15.4382 21.8421 21.8499 24.5075 24.5077 24.7849 24.7905 k = 0.6167-0.0674 0.4219 ( 938 PWs) bands (ev): -90.3738 -90.3738 -10.1602 -10.1602 1.6891 1.7031 2.4269 2.4425 4.1631 4.1636 15.4465 15.4465 21.8420 21.8497 24.4876 24.4879 24.7842 24.7899 k = 0.6125-0.0650 0.4287 ( 942 PWs) bands (ev): -90.3738 -90.3738 -10.1595 -10.1595 1.6923 1.7063 2.4293 2.4449 4.1506 4.1515 15.4603 15.4604 21.8417 21.8494 24.4559 24.4566 24.7827 24.7885 k = 0.6083-0.0625 0.4355 ( 940 PWs) bands (ev): -90.3738 -90.3738 -10.1585 -10.1585 1.6968 1.7108 2.4326 2.4482 4.1334 4.1345 15.4795 15.4795 21.8414 21.8490 24.4142 24.4154 24.7803 24.7861 k = 0.6042-0.0601 0.4423 ( 940 PWs) bands (ev): -90.3738 -90.3738 -10.1572 -10.1572 1.7026 1.7166 2.4368 2.4524 4.1115 4.1129 15.5038 15.5038 21.8409 21.8485 24.3644 24.3662 24.7766 24.7825 k = 0.6000-0.0577 0.4491 ( 944 PWs) bands (ev): -90.3738 -90.3738 -10.1557 -10.1556 1.7096 1.7236 2.4420 2.4576 4.0850 4.0867 15.5330 15.5330 21.8404 21.8478 24.3081 24.3105 24.7715 24.7776 k = 0.5958-0.0553 0.4559 ( 942 PWs) bands (ev): -90.3738 -90.3738 -10.1539 -10.1538 1.7178 1.7319 2.4481 2.4637 4.0543 4.0562 15.5668 15.5668 21.8398 21.8471 24.2468 24.2499 24.7654 24.7716 k = 0.5917-0.0529 0.4627 ( 942 PWs) bands (ev): -90.3738 -90.3738 -10.1518 -10.1518 1.7272 1.7413 2.4552 2.4708 4.0193 4.0216 15.6048 15.6049 21.8391 21.8463 24.1819 24.1857 24.7580 24.7645 k = 0.5875-0.0505 0.4695 ( 938 PWs) bands (ev): -90.3738 -90.3738 -10.1496 -10.1495 1.7378 1.7519 2.4632 2.4789 3.9806 3.9832 15.6467 15.6468 21.8383 21.8454 24.1145 24.1189 24.7496 24.7565 k = 0.5833-0.0481 0.4763 ( 938 PWs) bands (ev): -90.3738 -90.3738 -10.1471 -10.1470 1.7496 1.7637 2.4722 2.4878 3.9381 3.9410 15.6920 15.6921 21.8376 21.8445 24.0456 24.0506 24.7401 24.7475 k = 0.5792-0.0457 0.4831 ( 938 PWs) bands (ev): -90.3738 -90.3738 -10.1444 -10.1444 1.7624 1.7765 2.4821 2.4978 3.8922 3.8955 15.7403 15.7404 21.8367 21.8434 23.9758 23.9814 24.7299 24.7377 k = 0.5750-0.0433 0.4899 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1416 -10.1415 1.7763 1.7904 2.4930 2.5087 3.8433 3.8470 15.7910 15.7911 21.8359 21.8424 23.9060 23.9121 24.7190 24.7273 k = 0.5708-0.0409 0.4967 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1386 -10.1385 1.7911 1.8053 2.5049 2.5205 3.7917 3.7956 15.8436 15.8437 21.8351 21.8413 23.8368 23.8434 24.7075 24.7164 k = 0.5667-0.0385 0.5035 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1355 -10.1355 1.8069 1.8211 2.5177 2.5333 3.7375 3.7419 15.8975 15.8977 21.8343 21.8403 23.7687 23.7759 24.6955 24.7049 k = 0.5625-0.0361 0.5103 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1323 -10.1323 1.8235 1.8378 2.5314 2.5471 3.6813 3.6860 15.9523 15.9524 21.8336 21.8393 23.7024 23.7101 24.6831 24.6932 k = 0.5583-0.0337 0.5171 ( 930 PWs) bands (ev): -90.3738 -90.3738 -10.1291 -10.1290 1.8409 1.8552 2.5462 2.5619 3.6233 3.6285 16.0071 16.0073 21.8331 21.8384 23.6383 23.6465 24.6706 24.6813 k = 0.5542-0.0313 0.5239 ( 930 PWs) bands (ev): -90.3738 -90.3738 -10.1258 -10.1257 1.8589 1.8733 2.5619 2.5775 3.5639 3.5696 16.0615 16.0617 21.8326 21.8376 23.5768 23.5856 24.6580 24.6692 k = 0.5500-0.0289 0.5307 ( 928 PWs) bands (ev): -90.3737 -90.3737 -10.1225 -10.1225 1.8775 1.8920 2.5785 2.5942 3.5034 3.5097 16.1149 16.1151 21.8324 21.8371 23.5184 23.5277 24.6455 24.6573 k = 0.5458-0.0265 0.5375 ( 928 PWs) bands (ev): -90.3737 -90.3737 -10.1193 -10.1192 1.8965 1.9110 2.5962 2.6117 3.4424 3.4491 16.1665 16.1668 21.8324 21.8367 23.4635 23.4733 24.6332 24.6455 k = 0.5417-0.0241 0.5443 ( 928 PWs) bands (ev): -90.3737 -90.3737 -10.1161 -10.1160 1.9158 1.9303 2.6147 2.6303 3.3811 3.3885 16.2159 16.2162 21.8326 21.8365 23.4124 23.4227 24.6212 24.6341 k = 0.5375-0.0217 0.5511 ( 934 PWs) bands (ev): -90.3737 -90.3737 -10.1130 -10.1130 1.9350 1.9496 2.6342 2.6497 3.3200 3.3280 16.2625 16.2628 21.8331 21.8366 23.3654 23.3762 24.6097 24.6231 k = 0.5333-0.0192 0.5579 ( 934 PWs) bands (ev): -90.3737 -90.3737 -10.1101 -10.1101 1.9541 1.9688 2.6547 2.6700 3.2596 3.2684 16.3056 16.3059 21.8339 21.8370 23.3229 23.3342 24.5988 24.6127 k = 0.5292-0.0168 0.5647 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1074 -10.1073 1.9727 1.9874 2.6760 2.6911 3.2005 3.2101 16.3449 16.3452 21.8349 21.8377 23.2850 23.2968 24.5887 24.6030 k = 0.5250-0.0144 0.5715 ( 939 PWs) bands (ev): -90.3737 -90.3737 -10.1049 -10.1048 1.9906 2.0053 2.6981 2.7130 3.1433 3.1538 16.3798 16.3801 21.8361 21.8385 23.2520 23.2643 24.5795 24.5943 k = 0.5208-0.0120 0.5784 ( 939 PWs) bands (ev): -90.3737 -90.3737 -10.1026 -10.1026 2.0072 2.0220 2.7210 2.7356 3.0887 3.1002 16.4099 16.4103 21.8374 21.8396 23.2241 23.2369 24.5714 24.5865 k = 0.5167-0.0096 0.5852 ( 937 PWs) bands (ev): -90.3737 -90.3737 -10.1007 -10.1007 2.0221 2.0370 2.7443 2.7584 3.0377 3.0503 16.4350 16.4353 21.8387 21.8407 23.2014 23.2145 24.5645 24.5799 k = 0.5125-0.0072 0.5920 ( 935 PWs) bands (ev): -90.3737 -90.3737 -10.0991 -10.0991 2.0348 2.0498 2.7678 2.7810 2.9914 3.0052 16.4547 16.4550 21.8400 21.8418 23.1839 23.1973 24.5589 24.5746 k = 0.5083-0.0048 0.5988 ( 932 PWs) bands (ev): -90.3737 -90.3737 -10.0979 -10.0979 2.0446 2.0598 2.7903 2.8017 2.9521 2.9669 16.4689 16.4692 21.8411 21.8428 23.1716 23.1852 24.5547 24.5706 k = 0.5042-0.0024 0.6056 ( 932 PWs) bands (ev): -90.3737 -90.3737 -10.0972 -10.0972 2.0510 2.0662 2.8094 2.8169 2.9237 2.9392 16.4774 16.4777 21.8418 21.8434 23.1643 23.1781 24.5521 24.5682 k = 0.5000-0.0000 0.6124 ( 932 PWs) bands (ev): -90.3737 -90.3737 -10.0969 -10.0969 2.0532 2.0685 2.8193 2.8206 2.9132 2.9286 16.4803 16.4805 21.8421 21.8437 23.1619 23.1758 24.5513 24.5673 k = 0.5000-0.0000 0.6124 ( 932 PWs) bands (ev): -90.3737 -90.3737 -10.0969 -10.0969 2.0532 2.0685 2.8193 2.8206 2.9132 2.9286 16.4803 16.4805 21.8421 21.8437 23.1619 23.1758 24.5513 24.5673 k = 0.5000 0.0049 0.6055 ( 932 PWs) bands (ev): -90.3737 -90.3737 -10.0974 -10.0973 2.0497 2.0650 2.8027 2.8124 2.9309 2.9465 16.4816 16.4819 21.8336 21.8353 23.1702 23.1840 24.5507 24.5668 k = 0.5000 0.0098 0.5985 ( 932 PWs) bands (ev): -90.3737 -90.3737 -10.0987 -10.0987 2.0393 2.0545 2.7771 2.7907 2.9709 2.9858 16.4858 16.4861 21.8090 21.8108 23.1941 23.2079 24.5490 24.5650 k = 0.5000 0.0147 0.5916 ( 934 PWs) bands (ev): -90.3737 -90.3737 -10.1010 -10.1009 2.0222 2.0371 2.7542 2.7694 3.0202 3.0342 16.4927 16.4931 21.7701 21.7720 23.2319 23.2455 24.5461 24.5621 k = 0.5000 0.0196 0.5847 ( 936 PWs) bands (ev): -90.3737 -90.3737 -10.1041 -10.1041 1.9984 2.0130 2.7371 2.7530 3.0745 3.0875 16.5024 16.5028 21.7191 21.7213 23.2807 23.2943 24.5421 24.5581 k = 0.5000 0.0245 0.5778 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1081 -10.1080 1.9685 1.9826 2.7270 2.7429 3.1320 3.1441 16.5148 16.5153 21.6587 21.6610 23.3378 23.3513 24.5368 24.5528 k = 0.5000 0.0294 0.5709 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1129 -10.1129 1.9331 1.9466 2.7239 2.7397 3.1918 3.2031 16.5301 16.5306 21.5909 21.5935 23.4004 23.4140 24.5304 24.5464 k = 0.5000 0.0342 0.5639 ( 938 PWs) bands (ev): -90.3738 -90.3738 -10.1186 -10.1186 1.8929 1.9056 2.7278 2.7431 3.2533 3.2639 16.5481 16.5487 21.5178 21.5205 23.4662 23.4797 24.5228 24.5386 k = 0.5000 0.0391 0.5570 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1251 -10.1251 1.8487 1.8606 2.7380 2.7527 3.3161 3.3260 16.5689 16.5696 21.4408 21.4436 23.5328 23.5464 24.5138 24.5296 k = 0.5000 0.0440 0.5501 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1324 -10.1324 1.8011 1.8123 2.7542 2.7681 3.3797 3.3890 16.5925 16.5933 21.3609 21.3639 23.5983 23.6119 24.5035 24.5191 k = 0.5000 0.0489 0.5432 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1405 -10.1404 1.7510 1.7614 2.7756 2.7889 3.4440 3.4527 16.6189 16.6198 21.2792 21.2822 23.6610 23.6746 24.4916 24.5070 k = 0.5000 0.0538 0.5363 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1493 -10.1493 1.6990 1.7085 2.8020 2.8146 3.5086 3.5168 16.6482 16.6491 21.1963 21.1994 23.7192 23.7329 24.4779 24.4931 k = 0.5000 0.0587 0.5293 ( 936 PWs) bands (ev): -90.3738 -90.3738 -10.1588 -10.1588 1.6455 1.6543 2.8329 2.8448 3.5734 3.5811 16.6802 16.6812 21.1127 21.1158 23.7715 23.7852 24.4623 24.4771 k = 0.5000 0.0636 0.5224 ( 932 PWs) bands (ev): -90.3738 -90.3738 -10.1690 -10.1689 1.5909 1.5991 2.8679 2.8791 3.6382 3.6455 16.7151 16.7161 21.0288 21.0320 23.8167 23.8303 24.4443 24.4587 k = 0.5000 0.0685 0.5155 ( 934 PWs) bands (ev): -90.3738 -90.3738 -10.1798 -10.1798 1.5357 1.5433 2.9066 2.9173 3.7028 3.7098 16.7528 16.7539 20.9449 20.9481 23.8538 23.8672 24.4235 24.4376 k = 0.5000 0.0734 0.5086 ( 934 PWs) bands (ev): -90.3739 -90.3739 -10.1912 -10.1912 1.4802 1.4872 2.9489 2.9590 3.7671 3.7737 16.7933 16.7945 20.8613 20.8645 23.8821 23.8953 24.3994 24.4132 k = 0.5000 0.0783 0.5017 ( 932 PWs) bands (ev): -90.3739 -90.3739 -10.2032 -10.2032 1.4245 1.4310 2.9946 3.0041 3.8311 3.8373 16.8366 16.8379 20.7781 20.7814 23.9011 23.9142 24.3717 24.3852 k = 0.5000 0.0832 0.4947 ( 936 PWs) bands (ev): -90.3739 -90.3739 -10.2157 -10.2157 1.3689 1.3750 3.0432 3.0523 3.8945 3.9004 16.8827 16.8842 20.6955 20.6988 23.9107 23.9236 24.3399 24.3532 k = 0.5000 0.0881 0.4878 ( 936 PWs) bands (ev): -90.3739 -90.3739 -10.2287 -10.2286 1.3136 1.3192 3.0948 3.1034 3.9573 3.9629 16.9317 16.9332 20.6137 20.6170 23.9108 23.9235 24.3040 24.3172 k = 0.5000 0.0930 0.4809 ( 936 PWs) bands (ev): -90.3739 -90.3739 -10.2421 -10.2421 1.2586 1.2639 3.1491 3.1573 4.0194 4.0247 16.9835 16.9851 20.5326 20.5359 23.9014 23.9141 24.2641 24.2774 k = 0.5000 0.0979 0.4740 ( 936 PWs) bands (ev): -90.3740 -90.3739 -10.2559 -10.2559 1.2042 1.2092 3.2059 3.2137 4.0806 4.0857 17.0381 17.0398 20.4523 20.4556 23.8825 23.8953 24.2208 24.2344 k = 0.5000 0.1027 0.4671 ( 940 PWs) bands (ev): -90.3740 -90.3740 -10.2700 -10.2700 1.1505 1.1551 3.2650 3.2725 4.1410 4.1459 17.0955 17.0973 20.3729 20.3762 23.8541 23.8669 24.1749 24.1887 k = 0.5000 0.1076 0.4601 ( 942 PWs) bands (ev): -90.3740 -90.3740 -10.2845 -10.2845 1.0975 1.1018 3.3263 3.3335 4.2004 4.2050 17.1556 17.1575 20.2944 20.2977 23.8160 23.8289 24.1274 24.1415 k = 0.5000 0.1125 0.4532 ( 942 PWs) bands (ev): -90.3740 -90.3740 -10.2992 -10.2992 1.0453 1.0493 3.3897 3.3965 4.2588 4.2632 17.2185 17.2205 20.2169 20.2201 23.7683 23.7813 24.0792 24.0935 k = 0.5000 0.1174 0.4463 ( 942 PWs) bands (ev): -90.3740 -90.3740 -10.3141 -10.3141 0.9940 0.9978 3.4549 3.4615 4.3161 4.3203 17.2841 17.2862 20.1403 20.1435 23.7115 23.7242 24.0310 24.0453 k = 0.5000 0.1223 0.4394 ( 942 PWs) bands (ev): -90.3741 -90.3741 -10.3292 -10.3292 0.9436 0.9472 3.5218 3.5281 4.3722 4.3762 17.3523 17.3546 20.0646 20.0678 23.6463 23.6586 23.9830 23.9971 k = 0.5000 0.1272 0.4325 ( 942 PWs) bands (ev): -90.3741 -90.3741 -10.3444 -10.3444 0.8943 0.8977 3.5902 3.5962 4.4271 4.4309 17.4232 17.4255 19.9899 19.9931 23.5738 23.5855 23.9349 23.9486 k = 0.5000 0.1321 0.4255 ( 942 PWs) bands (ev): -90.3741 -90.3741 -10.3597 -10.3596 0.8461 0.8492 3.6600 3.6658 4.4807 4.4843 17.4966 17.4991 19.9162 19.9194 23.4952 23.5062 23.8863 23.8996 k = 0.5000 0.1370 0.4186 ( 940 PWs) bands (ev): -90.3741 -90.3741 -10.3750 -10.3749 0.7990 0.8019 3.7309 3.7364 4.5330 4.5365 17.5724 17.5751 19.8436 19.8467 23.4116 23.4221 23.8367 23.8497 k = 0.5000 0.1419 0.4117 ( 938 PWs) bands (ev): -90.3742 -90.3742 -10.3903 -10.3902 0.7530 0.7558 3.8028 3.8081 4.5840 4.5872 17.6507 17.6535 19.7720 19.7750 23.3243 23.3341 23.7858 23.7984 k = 0.5000 0.1468 0.4048 ( 938 PWs) bands (ev): -90.3742 -90.3742 -10.4055 -10.4055 0.7083 0.7109 3.8755 3.8806 4.6335 4.6366 17.7311 17.7341 19.7015 19.7044 23.2343 23.2435 23.7332 23.7454 k = 0.5000 0.1517 0.3979 ( 942 PWs) bands (ev): -90.3742 -90.3742 -10.4207 -10.4206 0.6647 0.6672 3.9487 3.9536 4.6815 4.6845 17.8136 17.8168 19.6323 19.6351 23.1424 23.1511 23.6786 23.6905 k = 0.5000 0.1566 0.3909 ( 944 PWs) bands (ev): -90.3742 -90.3742 -10.4357 -10.4356 0.6225 0.6248 4.0224 4.0271 4.7280 4.7309 17.8980 17.9014 19.5645 19.5672 23.0494 23.0576 23.6220 23.6335 k = 0.5000 0.1615 0.3840 ( 944 PWs) bands (ev): -90.3743 -90.3743 -10.4505 -10.4505 0.5816 0.5837 4.0962 4.1007 4.7731 4.7757 17.9840 17.9875 19.4983 19.5008 22.9562 22.9638 23.5631 23.5743 k = 0.5000 0.1664 0.3771 ( 942 PWs) bands (ev): -90.3743 -90.3743 -10.4651 -10.4651 0.5420 0.5440 4.1701 4.1744 4.8165 4.8191 18.0711 18.0749 19.4340 19.4364 22.8632 22.8704 23.5018 23.5128 k = 0.5000 0.1712 0.3702 ( 938 PWs) bands (ev): -90.3743 -90.3743 -10.4795 -10.4794 0.5038 0.5057 4.2438 4.2479 4.8584 4.8608 18.1588 18.1630 19.3723 19.3744 22.7710 22.7778 23.4382 23.4490 k = 0.5000 0.1761 0.3633 ( 938 PWs) bands (ev): -90.3743 -90.3743 -10.4935 -10.4935 0.4669 0.4687 4.3170 4.3209 4.8987 4.9010 18.2464 18.2509 19.3138 19.3157 22.6802 22.6867 23.3721 23.3826 k = 0.5000 0.1810 0.3564 ( 938 PWs) bands (ev): -90.3743 -90.3743 -10.5072 -10.5072 0.4315 0.4332 4.3895 4.3933 4.9374 4.9395 18.3324 18.3373 19.2599 19.2615 22.5913 22.5973 23.3034 23.3137 k = 0.5000 0.1859 0.3494 ( 938 PWs) bands (ev): -90.3744 -90.3744 -10.5206 -10.5206 0.3976 0.3991 4.4611 4.4647 4.9744 4.9764 18.4148 18.4202 19.2125 19.2138 22.5046 22.5103 23.2323 23.2423 k = 0.5000 0.1908 0.3425 ( 930 PWs) bands (ev): -90.3744 -90.3744 -10.5336 -10.5335 0.3651 0.3665 4.5317 4.5352 5.0097 5.0116 18.4902 18.4962 19.1751 19.1762 22.4205 22.4258 23.1586 23.1685 k = 0.5000 0.1957 0.3356 ( 936 PWs) bands (ev): -90.3744 -90.3744 -10.5461 -10.5461 0.3340 0.3354 4.6008 4.6041 5.0433 5.0451 18.5534 18.5600 19.1528 19.1539 22.3393 22.3443 23.0824 23.0920 k = 0.5000 0.2006 0.3287 ( 936 PWs) bands (ev): -90.3744 -90.3744 -10.5582 -10.5582 0.3045 0.3057 4.6684 4.6715 5.0753 5.0769 18.5977 18.6046 19.1525 19.1536 22.2613 22.2660 23.0038 23.0131 k = 0.5000 0.2055 0.3218 ( 936 PWs) bands (ev): -90.3744 -90.3744 -10.5698 -10.5698 0.2764 0.2776 4.7341 4.7370 5.1055 5.1071 18.6181 18.6250 19.1794 19.1804 22.1868 22.1911 22.9227 22.9318 k = 0.5000 0.2104 0.3148 ( 936 PWs) bands (ev): -90.3745 -90.3745 -10.5809 -10.5808 0.2499 0.2510 4.7977 4.8005 5.1341 5.1355 18.6155 18.6220 19.2328 19.2333 22.1159 22.1200 22.8393 22.8482 k = 0.5000 0.2153 0.3079 ( 934 PWs) bands (ev): -90.3745 -90.3745 -10.5914 -10.5914 0.2250 0.2260 4.8590 4.8616 5.1609 5.1623 18.5959 18.6018 19.3063 19.3064 22.0489 22.0527 22.7536 22.7623 k = 0.5000 0.2202 0.3010 ( 934 PWs) bands (ev): -90.3745 -90.3745 -10.6013 -10.6013 0.2016 0.2025 4.9177 4.9202 5.1860 5.1873 18.5658 18.5711 19.3928 19.3935 21.9859 21.9894 22.6658 22.6742 k = 0.5000 0.2251 0.2941 ( 934 PWs) bands (ev): -90.3745 -90.3745 -10.6107 -10.6107 0.1797 0.1806 4.9736 4.9759 5.2095 5.2106 18.5302 18.5349 19.4880 19.4891 21.9270 21.9302 22.5761 22.5842 k = 0.5000 0.2300 0.2872 ( 934 PWs) bands (ev): -90.3745 -90.3745 -10.6195 -10.6195 0.1594 0.1602 5.0265 5.0286 5.2312 5.2322 18.4921 18.4964 19.5887 19.5902 21.8723 21.8753 22.4845 22.4924 k = 0.5000 0.2349 0.2802 ( 934 PWs) bands (ev): -90.3745 -90.3745 -10.6276 -10.6276 0.1408 0.1415 5.0761 5.0781 5.2511 5.2521 18.4535 18.4574 19.6928 19.6947 21.8219 21.8246 22.3914 22.3990 k = 0.5000 0.2397 0.2733 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6351 -10.6351 0.1237 0.1243 5.1221 5.1240 5.2694 5.2703 18.4158 18.4193 19.7989 19.8011 21.7758 21.7783 22.2972 22.3044 k = 0.5000 0.2446 0.2664 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6420 -10.6419 0.1082 0.1088 5.1644 5.1661 5.2861 5.2868 18.3799 18.3830 19.9058 19.9082 21.7341 21.7363 22.2021 22.2091 k = 0.5000 0.2495 0.2595 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6481 -10.6481 0.0943 0.0949 5.2028 5.2043 5.3010 5.3017 18.3464 18.3491 20.0124 20.0150 21.6969 21.6988 22.1069 22.1135 k = 0.5000 0.2544 0.2526 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6536 -10.6536 0.0821 0.0825 5.2370 5.2384 5.3144 5.3150 18.3158 18.3182 20.1177 20.1205 21.6640 21.6656 22.0123 22.0186 k = 0.5000 0.2593 0.2456 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6583 -10.6583 0.0715 0.0719 5.2668 5.2680 5.3262 5.3267 18.2886 18.2907 20.2202 20.2231 21.6355 21.6369 21.9194 21.9252 k = 0.5000 0.2642 0.2387 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6624 -10.6624 0.0625 0.0628 5.2919 5.2929 5.3365 5.3369 18.2651 18.2668 20.3183 20.3212 21.6114 21.6126 21.8299 21.8352 k = 0.5000 0.2691 0.2318 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6657 -10.6657 0.0551 0.0554 5.3120 5.3128 5.3457 5.3460 18.2456 18.2469 20.4095 20.4122 21.5918 21.5927 21.7460 21.7507 k = 0.5000 0.2740 0.2249 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6683 -10.6683 0.0494 0.0496 5.3269 5.3275 5.3537 5.3538 18.2302 18.2312 20.4902 20.4926 21.5765 21.5772 21.6714 21.6752 k = 0.5000 0.2789 0.2180 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6701 -10.6701 0.0453 0.0455 5.3367 5.3371 5.3604 5.3604 18.2192 18.2198 20.5554 20.5573 21.5656 21.5661 21.6110 21.6137 k = 0.5000 0.2838 0.2110 ( 936 PWs) bands (ev): -90.3746 -90.3746 -10.6712 -10.6712 0.0429 0.0430 5.3421 5.3423 5.3649 5.3649 18.2125 18.2129 20.5989 20.5999 21.5589 21.5592 21.5712 21.5725 k = 0.5000 0.2887 0.2041 ( 912 PWs) bands (ev): -90.3746 -90.3746 -10.6716 -10.6716 0.0422 0.0422 5.3440 5.3440 5.3667 5.3667 18.2105 18.2105 20.6147 20.6147 21.5553 21.5553 21.5590 21.5590 k = 0.5000 0.2887 0.2041 ( 912 PWs) bands (ev): -90.3746 -90.3746 -10.6716 -10.6716 0.0422 0.0422 5.3440 5.3440 5.3667 5.3667 18.2105 18.2105 20.6147 20.6147 21.5553 21.5553 21.5590 21.5590 k = 0.4975 0.2873 0.2121 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6712 -10.6712 0.0429 0.0430 5.3421 5.3423 5.3649 5.3649 18.2126 18.2129 20.5988 20.5999 21.5589 21.5592 21.5713 21.5726 k = 0.4951 0.2858 0.2201 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6701 -10.6701 0.0454 0.0455 5.3367 5.3370 5.3604 5.3604 18.2192 18.2199 20.5552 20.5571 21.5658 21.5659 21.6112 21.6139 k = 0.4926 0.2844 0.2281 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6683 -10.6683 0.0494 0.0496 5.3269 5.3274 5.3537 5.3538 18.2303 18.2313 20.4898 20.4922 21.5768 21.5769 21.6718 21.6756 k = 0.4902 0.2830 0.2361 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6657 -10.6657 0.0552 0.0554 5.3119 5.3126 5.3457 5.3459 18.2457 18.2470 20.4089 20.4116 21.5922 21.5923 21.7468 21.7514 k = 0.4877 0.2816 0.2441 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6623 -10.6623 0.0626 0.0629 5.2916 5.2925 5.3367 5.3369 18.2653 18.2670 20.3176 20.3205 21.6118 21.6119 21.8310 21.8362 k = 0.4853 0.2802 0.2522 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6583 -10.6583 0.0716 0.0720 5.2662 5.2673 5.3265 5.3267 18.2888 18.2908 20.2195 20.2224 21.6357 21.6357 21.9210 21.9267 k = 0.4828 0.2788 0.2602 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6535 -10.6535 0.0823 0.0827 5.2361 5.2373 5.3150 5.3152 18.3158 18.3182 20.1172 20.1200 21.6638 21.6638 22.0145 22.0206 k = 0.4804 0.2774 0.2682 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6480 -10.6480 0.0945 0.0951 5.2014 5.2027 5.3021 5.3022 18.3460 18.3487 20.0127 20.0153 21.6959 21.6960 22.1099 22.1163 k = 0.4779 0.2759 0.2762 ( 934 PWs) bands (ev): -90.3746 -90.3746 -10.6419 -10.6418 0.1085 0.1090 5.1623 5.1638 5.2878 5.2879 18.3786 18.3817 19.9075 19.9100 21.7321 21.7321 22.2060 22.2126 k = 0.4755 0.2745 0.2842 ( 934 PWs) bands (ev): -90.3746 -90.3745 -10.6350 -10.6350 0.1240 0.1246 5.1190 5.1206 5.2720 5.2721 18.4128 18.4162 19.8032 19.8055 21.7722 21.7722 22.3021 22.3090 k = 0.4730 0.2731 0.2922 ( 933 PWs) bands (ev): -90.3745 -90.3745 -10.6275 -10.6275 0.1411 0.1419 5.0717 5.0735 5.2549 5.2549 18.4473 18.4510 19.7016 19.7036 21.8161 21.8161 22.3976 22.4048 k = 0.4706 0.2717 0.3002 ( 929 PWs) bands (ev): -90.3745 -90.3745 -10.6193 -10.6193 0.1599 0.1607 5.0207 5.0226 5.2363 5.2364 18.4803 18.4844 19.6047 19.6065 21.8636 21.8636 22.4922 22.4996 k = 0.4681 0.2703 0.3082 ( 932 PWs) bands (ev): -90.3745 -90.3745 -10.6105 -10.6105 0.1802 0.1811 4.9659 4.9680 5.2165 5.2166 18.5090 18.5135 19.5154 19.5170 21.9147 21.9147 22.5855 22.5931 k = 0.4657 0.2689 0.3162 ( 932 PWs) bands (ev): -90.3745 -90.3745 -10.6011 -10.6011 0.2021 0.2031 4.9078 4.9099 5.1954 5.1955 18.5298 18.5345 19.4377 19.4391 21.9692 21.9692 22.6773 22.6851 k = 0.4632 0.2674 0.3242 ( 934 PWs) bands (ev): -90.3745 -90.3745 -10.5911 -10.5911 0.2256 0.2266 4.8464 4.8487 5.1731 5.1732 18.5376 18.5425 19.3765 19.3779 22.0269 22.0270 22.7674 22.7753 k = 0.4608 0.2660 0.3322 ( 934 PWs) bands (ev): -90.3745 -90.3745 -10.5806 -10.5805 0.2507 0.2518 4.7819 4.7844 5.1497 5.1498 18.5274 18.5323 19.3371 19.3385 22.0878 22.0878 22.8557 22.8637 k = 0.4583 0.2646 0.3402 ( 934 PWs) bands (ev): -90.3744 -90.3744 -10.5695 -10.5694 0.2772 0.2784 4.7147 4.7172 5.1252 5.1253 18.4957 18.5004 19.3226 19.3243 22.1515 22.1515 22.9420 22.9502 k = 0.4559 0.2632 0.3482 ( 936 PWs) bands (ev): -90.3744 -90.3744 -10.5579 -10.5578 0.3053 0.3066 4.6448 4.6475 5.0998 5.0998 18.4430 18.4473 19.3328 19.3349 22.2179 22.2180 23.0262 23.0346 k = 0.4534 0.2618 0.3562 ( 938 PWs) bands (ev): -90.3744 -90.3744 -10.5458 -10.5457 0.3350 0.3364 4.5725 4.5753 5.0734 5.0735 18.3728 18.3767 19.3639 19.3666 22.2869 22.2869 23.1084 23.1168 k = 0.4510 0.2604 0.3642 ( 936 PWs) bands (ev): -90.3744 -90.3744 -10.5332 -10.5332 0.3661 0.3676 4.4980 4.5010 5.0462 5.0462 18.2897 18.2932 19.4114 19.4145 22.3582 22.3582 23.1885 23.1970 k = 0.4485 0.2590 0.3722 ( 935 PWs) bands (ev): -90.3744 -90.3744 -10.5203 -10.5202 0.3987 0.4003 4.4216 4.4247 5.0182 5.0183 18.1978 18.2010 19.4710 19.4746 22.4317 22.4317 23.2663 23.2750 k = 0.4461 0.2575 0.3802 ( 935 PWs) bands (ev): -90.3743 -90.3743 -10.5069 -10.5069 0.4327 0.4344 4.3434 4.3467 4.9895 4.9896 18.1001 18.1029 19.5396 19.5436 22.5070 22.5070 23.3420 23.3507 k = 0.4436 0.2561 0.3882 ( 935 PWs) bands (ev): -90.3743 -90.3743 -10.4932 -10.4932 0.4681 0.4700 4.2637 4.2671 4.9602 4.9603 17.9986 18.0011 19.6151 19.6194 22.5840 22.5841 23.4156 23.4243 k = 0.4412 0.2547 0.3962 ( 935 PWs) bands (ev): -90.3743 -90.3743 -10.4792 -10.4792 0.5050 0.5069 4.1827 4.1863 4.9304 4.9304 17.8948 17.8971 19.6958 19.7004 22.6626 22.6626 23.4869 23.4957 k = 0.4387 0.2533 0.4042 ( 932 PWs) bands (ev): -90.3743 -90.3743 -10.4649 -10.4649 0.5432 0.5453 4.1006 4.1044 4.9001 4.9001 17.7897 17.7917 19.7806 19.7856 22.7423 22.7424 23.5562 23.5650 k = 0.4363 0.2519 0.4123 ( 932 PWs) bands (ev): -90.3742 -90.3742 -10.4504 -10.4504 0.5827 0.5850 4.0177 4.0216 4.8694 4.8694 17.6839 17.6858 19.8687 19.8739 22.8231 22.8231 23.6233 23.6322 k = 0.4338 0.2505 0.4203 ( 934 PWs) bands (ev): -90.3742 -90.3742 -10.4357 -10.4357 0.6236 0.6259 3.9341 3.9381 4.8384 4.8384 17.5780 17.5797 19.9593 19.9648 22.9046 22.9046 23.6883 23.6972 k = 0.4314 0.2491 0.4283 ( 932 PWs) bands (ev): -90.3742 -90.3742 -10.4209 -10.4208 0.6657 0.6682 3.8500 3.8542 4.8071 4.8072 17.4724 17.4739 20.0519 20.0576 22.9866 22.9866 23.7514 23.7603 k = 0.4289 0.2476 0.4363 ( 934 PWs) bands (ev): -90.3742 -90.3742 -10.4059 -10.4059 0.7090 0.7117 3.7657 3.7701 4.7757 4.7757 17.3673 17.3687 20.1460 20.1520 23.0689 23.0689 23.8124 23.8214 k = 0.4265 0.2462 0.4443 ( 934 PWs) bands (ev): -90.3742 -90.3742 -10.3909 -10.3909 0.7535 0.7564 3.6814 3.6860 4.7442 4.7442 17.2630 17.2642 20.2412 20.2474 23.1512 23.1513 23.8716 23.8805 k = 0.4240 0.2448 0.4523 ( 936 PWs) bands (ev): -90.3741 -90.3741 -10.3760 -10.3759 0.7991 0.8022 3.5973 3.6021 4.7127 4.7127 17.1597 17.1608 20.3370 20.3434 23.2333 23.2334 23.9289 23.9378 k = 0.4216 0.2434 0.4603 ( 940 PWs) bands (ev): -90.3741 -90.3741 -10.3610 -10.3610 0.8458 0.8491 3.5136 3.5187 4.6812 4.6812 17.0575 17.0584 20.4332 20.4398 23.3150 23.3151 23.9845 23.9934 k = 0.4191 0.2420 0.4683 ( 940 PWs) bands (ev): -90.3741 -90.3741 -10.3462 -10.3461 0.8934 0.8970 3.4306 3.4359 4.6498 4.6499 16.9565 16.9573 20.5292 20.5360 23.3960 23.3960 24.0385 24.0473 k = 0.4167 0.2406 0.4763 ( 940 PWs) bands (ev): -90.3741 -90.3741 -10.3315 -10.3314 0.9420 0.9458 3.3485 3.3541 4.6187 4.6187 16.8569 16.8576 20.6248 20.6318 23.4760 23.4761 24.0909 24.0996 k = 0.4142 0.2391 0.4843 ( 940 PWs) bands (ev): -90.3740 -90.3740 -10.3170 -10.3170 0.9914 0.9955 3.2675 3.2733 4.5878 4.5878 16.7587 16.7593 20.7196 20.7267 23.5549 23.5550 24.1418 24.1505 k = 0.4118 0.2377 0.4923 ( 944 PWs) bands (ev): -90.3740 -90.3740 -10.3028 -10.3027 1.0416 1.0460 3.1878 3.1939 4.5571 4.5572 16.6620 16.6626 20.8132 20.8205 23.6324 23.6324 24.1913 24.2000 k = 0.4093 0.2363 0.5003 ( 941 PWs) bands (ev): -90.3740 -90.3740 -10.2889 -10.2888 1.0923 1.0971 3.1097 3.1162 4.5269 4.5269 16.5669 16.5674 20.9053 20.9127 23.7083 23.7083 24.2396 24.2482 k = 0.4069 0.2349 0.5083 ( 941 PWs) bands (ev): -90.3740 -90.3740 -10.2754 -10.2753 1.1436 1.1487 3.0335 3.0404 4.4971 4.4972 16.4735 16.4739 20.9954 21.0030 23.7824 23.7825 24.2867 24.2952 k = 0.4044 0.2335 0.5163 ( 941 PWs) bands (ev): -90.3740 -90.3740 -10.2623 -10.2623 1.1951 1.2007 2.9594 2.9667 4.4678 4.4679 16.3819 16.3822 21.0833 21.0910 23.8545 23.8546 24.3328 24.3412 k = 0.4020 0.2321 0.5243 ( 941 PWs) bands (ev): -90.3739 -90.3739 -10.2497 -10.2497 1.2467 1.2528 2.8878 2.8956 4.4391 4.4391 16.2920 16.2922 21.1686 21.1764 23.9244 23.9245 24.3779 24.3861 k = 0.3995 0.2307 0.5323 ( 941 PWs) bands (ev): -90.3739 -90.3739 -10.2377 -10.2377 1.2982 1.3049 2.8189 2.8273 4.4110 4.4110 16.2039 16.2041 21.2508 21.2587 23.9920 23.9921 24.4220 24.4301 k = 0.3971 0.2292 0.5403 ( 937 PWs) bands (ev): -90.3739 -90.3739 -10.2263 -10.2262 1.3493 1.3565 2.7534 2.7623 4.3835 4.3835 16.1178 16.1179 21.3298 21.3377 24.0572 24.0573 24.4653 24.4733 k = 0.3946 0.2278 0.5483 ( 939 PWs) bands (ev): -90.3739 -90.3739 -10.2156 -10.2155 1.3995 1.4074 2.6914 2.7010 4.3567 4.3567 16.0336 16.0337 21.4050 21.4130 24.1197 24.1198 24.5077 24.5155 k = 0.3922 0.2264 0.5563 ( 941 PWs) bands (ev): -90.3739 -90.3739 -10.2056 -10.2055 1.4483 1.4571 2.6337 2.6441 4.3307 4.3307 15.9514 15.9514 21.4761 21.4842 24.1794 24.1796 24.5491 24.5567 k = 0.3897 0.2250 0.5643 ( 939 PWs) bands (ev): -90.3739 -90.3739 -10.1963 -10.1963 1.4953 1.5049 2.5810 2.5923 4.3055 4.3055 15.8712 15.8712 21.5430 21.5511 24.2363 24.2365 24.5895 24.5969 k = 0.3873 0.2236 0.5723 ( 939 PWs) bands (ev): -90.3738 -90.3738 -10.1880 -10.1879 1.5396 1.5501 2.5341 2.5462 4.2811 4.2811 15.7931 15.7931 21.6053 21.6134 24.2903 24.2905 24.6286 24.6358 k = 0.3848 0.2222 0.5804 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1805 -10.1805 1.5803 1.5917 2.4940 2.5071 4.2576 4.2576 15.7171 15.7171 21.6628 21.6709 24.3413 24.3415 24.6661 24.6730 k = 0.3824 0.2208 0.5884 ( 939 PWs) bands (ev): -90.3738 -90.3738 -10.1740 -10.1740 1.6164 1.6287 2.4619 2.4758 4.2350 4.2351 15.6433 15.6433 21.7154 21.7234 24.3892 24.3894 24.7013 24.7079 k = 0.3799 0.2193 0.5964 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1685 -10.1685 1.6467 1.6598 2.4390 2.4537 4.2134 4.2135 15.5717 15.5717 21.7628 21.7707 24.4340 24.4342 24.7336 24.7399 k = 0.3775 0.2179 0.6044 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1641 -10.1641 1.6703 1.6840 2.4265 2.4418 4.1928 4.1929 15.5024 15.5024 21.8051 21.8129 24.4757 24.4759 24.7620 24.7679 k = 0.3750 0.2165 0.6124 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1608 -10.1608 1.6866 1.7005 2.4251 2.4406 4.1733 4.1733 15.4353 15.4354 21.8422 21.8499 24.5143 24.5144 24.7851 24.7906 k = 0.6250-0.0722 0.4082 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1608 -10.1608 1.6866 1.7005 2.4251 2.4406 4.1733 4.1733 15.4353 15.4354 21.8422 21.8499 24.5143 24.5144 24.7851 24.7906 k = 0.6208-0.0794 0.4082 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1565 -10.1565 1.7056 1.7196 2.4362 2.4517 4.1413 4.1413 15.3235 15.3236 21.8971 21.9046 24.5768 24.5770 24.8183 24.8229 k = 0.6167-0.0866 0.4082 ( 937 PWs) bands (ev): -90.3738 -90.3738 -10.1530 -10.1529 1.7199 1.7336 2.4552 2.4704 4.1100 4.1101 15.2121 15.2122 21.9440 21.9513 24.6386 24.6388 24.8494 24.8530 k = 0.6125-0.0938 0.4082 ( 945 PWs) bands (ev): -90.3738 -90.3738 -10.1500 -10.1500 1.7292 1.7424 2.4819 2.4965 4.0796 4.0796 15.1012 15.1013 21.9826 21.9895 24.6995 24.6997 24.8782 24.8805 k = 0.6083-0.1010 0.4082 ( 951 PWs) bands (ev): -90.3738 -90.3738 -10.1477 -10.1477 1.7339 1.7463 2.5158 2.5297 4.0500 4.0500 14.9909 14.9910 22.0124 22.0190 24.7595 24.7597 24.9047 24.9054 k = 0.6042-0.1083 0.4082 ( 951 PWs) bands (ev): -90.3738 -90.3738 -10.1459 -10.1459 1.7344 1.7459 2.5563 2.5693 4.0212 4.0213 14.8815 14.8816 22.0334 22.0397 24.8185 24.8186 24.9280 24.9291 k = 0.6000-0.1155 0.4082 ( 951 PWs) bands (ev): -90.3738 -90.3738 -10.1446 -10.1446 1.7314 1.7420 2.6024 2.6144 3.9934 3.9934 14.7731 14.7732 22.0457 22.0517 24.8761 24.8761 24.9488 24.9517 k = 0.5958-0.1227 0.4082 ( 951 PWs) bands (ev): -90.3738 -90.3738 -10.1438 -10.1438 1.7255 1.7351 2.6530 2.6640 3.9665 3.9665 14.6659 14.6660 22.0497 22.0552 24.9317 24.9322 24.9689 24.9734 k = 0.5917-0.1299 0.4082 ( 950 PWs) bands (ev): -90.3738 -90.3738 -10.1434 -10.1434 1.7173 1.7261 2.7072 2.7173 3.9405 3.9406 14.5601 14.5601 22.0458 22.0509 24.9791 24.9842 24.9958 24.9975 k = 0.5875-0.1371 0.4082 ( 948 PWs) bands (ev): -90.3737 -90.3737 -10.1434 -10.1434 1.7076 1.7155 2.7642 2.7735 3.9156 3.9156 14.4558 14.4559 22.0347 22.0394 25.0042 25.0137 25.0432 25.0443 k = 0.5833-0.1443 0.4082 ( 948 PWs) bands (ev): -90.3737 -90.3737 -10.1437 -10.1437 1.6966 1.7038 2.8231 2.8316 3.8916 3.8916 14.3535 14.3535 22.0174 22.0217 25.0266 25.0375 25.0945 25.0955 k = 0.5792-0.1516 0.4082 ( 944 PWs) bands (ev): -90.3737 -90.3737 -10.1443 -10.1442 1.6850 1.6915 2.8834 2.8912 3.8686 3.8687 14.2532 14.2532 21.9947 21.9987 25.0508 25.0629 25.1446 25.1456 k = 0.5750-0.1588 0.4082 ( 948 PWs) bands (ev): -90.3737 -90.3737 -10.1451 -10.1451 1.6728 1.6787 2.9443 2.9514 3.8467 3.8468 14.1553 14.1553 21.9677 21.9713 25.0770 25.0901 25.1928 25.1940 k = 0.5708-0.1660 0.4082 ( 948 PWs) bands (ev): -90.3737 -90.3737 -10.1461 -10.1461 1.6605 1.6659 3.0054 3.0118 3.8259 3.8259 14.0601 14.0601 21.9373 21.9406 25.1053 25.1192 25.2392 25.2404 k = 0.5667-0.1732 0.4082 ( 948 PWs) bands (ev): -90.3737 -90.3737 -10.1473 -10.1473 1.6483 1.6531 3.0660 3.0719 3.8061 3.8062 13.9678 13.9678 21.9045 21.9075 25.1352 25.1497 25.2834 25.2849 k = 0.5625-0.1804 0.4082 ( 948 PWs) bands (ev): -90.3737 -90.3737 -10.1486 -10.1486 1.6363 1.6406 3.1257 3.1311 3.7875 3.7875 13.8788 13.8788 21.8701 21.8729 25.1660 25.1810 25.3255 25.3272 k = 0.5583-0.1876 0.4082 ( 948 PWs) bands (ev): -90.3737 -90.3737 -10.1500 -10.1499 1.6246 1.6285 3.1841 3.1890 3.7699 3.7700 13.7935 13.7935 21.8351 21.8375 25.1972 25.2125 25.3653 25.3673 k = 0.5542-0.1949 0.4082 ( 954 PWs) bands (ev): -90.3737 -90.3737 -10.1514 -10.1514 1.6135 1.6169 3.2406 3.2451 3.7535 3.7536 13.7120 13.7120 21.7999 21.8022 25.2281 25.2434 25.4025 25.4051 k = 0.5500-0.2021 0.4082 ( 950 PWs) bands (ev): -90.3737 -90.3737 -10.1529 -10.1528 1.6029 1.6060 3.2950 3.2990 3.7383 3.7384 13.6348 13.6348 21.7654 21.7674 25.2580 25.2731 25.4372 25.4405 k = 0.5458-0.2093 0.4082 ( 950 PWs) bands (ev): -90.3737 -90.3737 -10.1543 -10.1543 1.5929 1.5957 3.3467 3.3503 3.7243 3.7244 13.5623 13.5623 21.7321 21.7338 25.2865 25.3011 25.4691 25.4733 k = 0.5417-0.2165 0.4082 ( 950 PWs) bands (ev): -90.3737 -90.3737 -10.1557 -10.1557 1.5837 1.5861 3.3954 3.3986 3.7114 3.7115 13.4946 13.4946 21.7003 21.7019 25.3130 25.3269 25.4981 25.5035 k = 0.5375-0.2237 0.4082 ( 950 PWs) bands (ev): -90.3737 -90.3737 -10.1571 -10.1571 1.5752 1.5774 3.4406 3.4436 3.6998 3.6999 13.4323 13.4323 21.6706 21.6719 25.3372 25.3501 25.5242 25.5309 k = 0.5333-0.2309 0.4082 ( 950 PWs) bands (ev): -90.3737 -90.3737 -10.1584 -10.1584 1.5675 1.5694 3.4822 3.4848 3.6893 3.6894 13.3755 13.3755 21.6432 21.6444 25.3590 25.3706 25.5476 25.5555 k = 0.5292-0.2382 0.4082 ( 946 PWs) bands (ev): -90.3737 -90.3737 -10.1596 -10.1596 1.5607 1.5623 3.5197 3.5219 3.6802 3.6803 13.3246 13.3246 21.6184 21.6195 25.3781 25.3883 25.5686 25.5770 k = 0.5250-0.2454 0.4082 ( 942 PWs) bands (ev): -90.3737 -90.3737 -10.1606 -10.1606 1.5547 1.5561 3.5528 3.5547 3.6723 3.6724 13.2798 13.2799 21.5966 21.5975 25.3946 25.4033 25.5873 25.5954 k = 0.5208-0.2526 0.4082 ( 942 PWs) bands (ev): -90.3737 -90.3737 -10.1615 -10.1615 1.5497 1.5508 3.5811 3.5827 3.6657 3.6658 13.2415 13.2415 21.5778 21.5785 25.4084 25.4157 25.6037 25.6108 k = 0.5167-0.2598 0.4082 ( 942 PWs) bands (ev): -90.3737 -90.3737 -10.1623 -10.1623 1.5455 1.5464 3.6043 3.6057 3.6606 3.6608 13.2098 13.2098 21.5622 21.5628 25.4197 25.4255 25.6175 25.6234 k = 0.5125-0.2670 0.4082 ( 942 PWs) bands (ev): -90.3737 -90.3737 -10.1629 -10.1629 1.5423 1.5430 3.6220 3.6231 3.6573 3.6574 13.1850 13.1850 21.5500 21.5504 25.4286 25.4328 25.6286 25.6330 k = 0.5083-0.2742 0.4082 ( 938 PWs) bands (ev): -90.3737 -90.3737 -10.1634 -10.1634 1.5401 1.5405 3.6336 3.6343 3.6562 3.6563 13.1671 13.1671 21.5413 21.5415 25.4351 25.4379 25.6369 25.6398 k = 0.5042-0.2815 0.4082 ( 934 PWs) bands (ev): -90.3737 -90.3737 -10.1636 -10.1636 1.5388 1.5390 3.6389 3.6392 3.6574 3.6574 13.1564 13.1564 21.5360 21.5361 25.4392 25.4406 25.6422 25.6436 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -90.3737 -90.3737 -10.1637 -10.1637 1.5384 1.5384 3.6403 3.6403 3.6583 3.6583 13.1528 13.1528 21.5343 21.5343 25.4411 25.4411 25.6444 25.6444 Writing output data file BeO.save init_run : 1.14s CPU 11.53s WALL ( 1 calls) electrons : 98.89s CPU 103.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.27s CPU 1.34s WALL ( 1 calls) Called by electrons: c_bands : 98.86s CPU 103.35s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.65s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.02s CPU 0.42s WALL ( 1 calls) newd : 0.13s CPU 0.35s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.15s WALL ( 546 calls) cegterg : 71.95s CPU 72.93s WALL ( 611 calls) Called by sum_band: Called by *egterg: h_psi : 42.48s CPU 45.97s WALL ( 9782 calls) s_psi : 0.39s CPU 1.06s WALL ( 9782 calls) g_psi : 0.02s CPU 0.07s WALL ( 8625 calls) cdiaghg : 17.97s CPU 17.90s WALL ( 9171 calls) cegterg:over : 6.57s CPU 5.39s WALL ( 8625 calls) cegterg:upda : 0.16s CPU 0.46s WALL ( 8625 calls) cegterg:last : 0.06s CPU 0.37s WALL ( 2342 calls) Called by h_psi: h_psi:vloc : 37.32s CPU 41.80s WALL ( 9782 calls) h_psi:vnl : 5.14s CPU 4.12s WALL ( 9782 calls) add_vuspsi : 0.18s CPU 0.72s WALL ( 9782 calls) General routines calbec : 4.93s CPU 3.30s WALL ( 9782 calls) fft : 0.17s CPU 1.35s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 35.64s CPU 39.84s WALL ( 508704 calls) interpolate : 0.14s CPU 0.15s WALL ( 4 calls) davcio : 0.03s CPU 1.05s WALL ( 1092 calls) Parallel routines fft_scatter : 25.78s CPU 28.57s WALL ( 508727 calls) PWSCF : 2m 3.52s CPU 3m27.58s WALL This run was terminated on: 8:20: 4 26Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=